USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=9 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+ -118:sc= 0.0945 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= 1.02 (180deg=0.932) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc=-0.00783 (180deg=-0.00783) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 150:sc=-0.00623 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= -0.0189 K(o=-0.019,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= 0.34 USER MOD Single : A 43 ASN : amide:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 176:sc= 0.926 (180deg=0.912) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.137 1.942 2.473 1.00 0.00 N ATOM 2 CA GLY A 1 19.200 1.332 1.537 1.00 0.00 C ATOM 3 C GLY A 1 18.818 2.304 0.428 1.00 0.00 C ATOM 4 O GLY A 1 19.143 3.490 0.490 1.00 0.00 O ATOM 0 H1 GLY A 1 21.032 1.413 2.463 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.314 2.928 2.194 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.734 1.921 3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.646 0.438 1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.304 1.014 2.070 1.00 0.00 H new ATOM 10 N THR A 2 18.127 1.796 -0.586 1.00 0.00 N ATOM 11 CA THR A 2 17.694 2.620 -1.708 1.00 0.00 C ATOM 12 C THR A 2 16.373 3.315 -1.404 1.00 0.00 C ATOM 13 O THR A 2 15.763 3.081 -0.361 1.00 0.00 O ATOM 14 CB THR A 2 17.540 1.787 -2.994 1.00 0.00 C ATOM 15 OG1 THR A 2 16.449 0.869 -2.844 1.00 0.00 O ATOM 16 CG2 THR A 2 18.815 1.010 -3.283 1.00 0.00 C ATOM 0 H THR A 2 17.854 0.816 -0.654 1.00 0.00 H new ATOM 0 HA THR A 2 18.469 3.371 -1.863 1.00 0.00 H new ATOM 0 HB THR A 2 17.343 2.464 -3.825 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.351 0.341 -3.664 1.00 0.00 H new ATOM 0 HG21 THR A 2 18.687 0.427 -4.195 1.00 0.00 H new ATOM 0 HG22 THR A 2 19.644 1.706 -3.410 1.00 0.00 H new ATOM 0 HG23 THR A 2 19.029 0.339 -2.451 1.00 0.00 H new ATOM 24 N ILE A 3 15.936 4.171 -2.321 1.00 0.00 N ATOM 25 CA ILE A 3 14.635 4.819 -2.206 1.00 0.00 C ATOM 26 C ILE A 3 13.512 3.793 -2.132 1.00 0.00 C ATOM 27 O ILE A 3 12.555 3.960 -1.377 1.00 0.00 O ATOM 28 CB ILE A 3 14.371 5.771 -3.387 1.00 0.00 C ATOM 29 CG1 ILE A 3 15.318 6.973 -3.326 1.00 0.00 C ATOM 30 CG2 ILE A 3 12.922 6.231 -3.386 1.00 0.00 C ATOM 31 CD1 ILE A 3 15.315 7.817 -4.580 1.00 0.00 C ATOM 0 H ILE A 3 16.465 4.432 -3.153 1.00 0.00 H new ATOM 0 HA ILE A 3 14.654 5.398 -1.283 1.00 0.00 H new ATOM 0 HB ILE A 3 14.559 5.232 -4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 3 15.041 7.599 -2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 3 16.331 6.616 -3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 3 12.753 6.903 -4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 3 12.265 5.366 -3.475 1.00 0.00 H new ATOM 0 HG23 ILE A 3 12.707 6.755 -2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 3 16.010 8.648 -4.461 1.00 0.00 H new ATOM 0 HD12 ILE A 3 15.622 7.207 -5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 3 14.312 8.205 -4.755 1.00 0.00 H new ATOM 43 N ASP A 4 13.635 2.731 -2.921 1.00 0.00 N ATOM 44 CA ASP A 4 12.652 1.656 -2.916 1.00 0.00 C ATOM 45 C ASP A 4 12.695 0.874 -1.610 1.00 0.00 C ATOM 46 O ASP A 4 11.661 0.618 -0.993 1.00 0.00 O ATOM 47 CB ASP A 4 12.882 0.713 -4.100 1.00 0.00 C ATOM 48 CG ASP A 4 12.494 1.294 -5.453 1.00 0.00 C ATOM 49 OD1 ASP A 4 11.831 2.304 -5.475 1.00 0.00 O ATOM 50 OD2 ASP A 4 12.990 0.818 -6.446 1.00 0.00 O ATOM 0 H ASP A 4 14.407 2.592 -3.573 1.00 0.00 H new ATOM 0 HA ASP A 4 11.665 2.109 -3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 4 13.935 0.434 -4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.314 -0.202 -3.935 1.00 0.00 H new ATOM 55 N GLU A 5 13.899 0.499 -1.191 1.00 0.00 N ATOM 56 CA GLU A 5 14.073 -0.329 -0.003 1.00 0.00 C ATOM 57 C GLU A 5 13.682 0.430 1.259 1.00 0.00 C ATOM 58 O GLU A 5 13.216 -0.164 2.232 1.00 0.00 O ATOM 59 CB GLU A 5 15.521 -0.815 0.104 1.00 0.00 C ATOM 60 CG GLU A 5 15.940 -1.784 -0.992 1.00 0.00 C ATOM 61 CD GLU A 5 15.130 -3.050 -0.943 1.00 0.00 C ATOM 62 OE1 GLU A 5 15.098 -3.672 0.091 1.00 0.00 O ATOM 63 OE2 GLU A 5 14.452 -3.335 -1.902 1.00 0.00 O ATOM 0 H GLU A 5 14.769 0.756 -1.657 1.00 0.00 H new ATOM 0 HA GLU A 5 13.415 -1.193 -0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 5 16.184 0.050 0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.659 -1.298 1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.818 -1.309 -1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 5 16.998 -2.023 -0.884 1.00 0.00 H new ATOM 70 N TRP A 6 13.873 1.744 1.237 1.00 0.00 N ATOM 71 CA TRP A 6 13.567 2.583 2.389 1.00 0.00 C ATOM 72 C TRP A 6 12.172 3.184 2.278 1.00 0.00 C ATOM 73 O TRP A 6 11.261 2.802 3.014 1.00 0.00 O ATOM 74 CB TRP A 6 14.608 3.696 2.530 1.00 0.00 C ATOM 75 CG TRP A 6 14.393 4.568 3.730 1.00 0.00 C ATOM 76 CD1 TRP A 6 13.868 5.825 3.741 1.00 0.00 C ATOM 77 CD2 TRP A 6 14.697 4.246 5.094 1.00 0.00 C ATOM 78 NE1 TRP A 6 13.827 6.309 5.025 1.00 0.00 N ATOM 79 CE2 TRP A 6 14.329 5.356 5.875 1.00 0.00 C ATOM 80 CE3 TRP A 6 15.244 3.124 5.728 1.00 0.00 C ATOM 81 CZ2 TRP A 6 14.491 5.381 7.251 1.00 0.00 C ATOM 82 CZ3 TRP A 6 15.404 3.150 7.108 1.00 0.00 C ATOM 83 CH2 TRP A 6 15.038 4.247 7.848 1.00 0.00 C ATOM 0 H TRP A 6 14.239 2.252 0.432 1.00 0.00 H new ATOM 0 HA TRP A 6 13.597 1.953 3.278 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.600 3.249 2.589 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.590 4.315 1.633 1.00 0.00 H new ATOM 0 HD1 TRP A 6 13.533 6.363 2.866 1.00 0.00 H new ATOM 0 HE1 TRP A 6 13.480 7.227 5.302 1.00 0.00 H new ATOM 0 HE3 TRP A 6 15.536 2.256 5.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 14.205 6.243 7.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 15.825 2.290 7.608 1.00 0.00 H new ATOM 0 HH2 TRP A 6 15.177 4.231 8.919 1.00 0.00 H new ATOM 94 N LEU A 7 12.010 4.126 1.357 1.00 0.00 N ATOM 95 CA LEU A 7 10.786 4.914 1.272 1.00 0.00 C ATOM 96 C LEU A 7 9.618 4.065 0.787 1.00 0.00 C ATOM 97 O LEU A 7 8.615 3.916 1.485 1.00 0.00 O ATOM 98 CB LEU A 7 10.993 6.117 0.342 1.00 0.00 C ATOM 99 CG LEU A 7 9.803 6.451 -0.567 1.00 0.00 C ATOM 100 CD1 LEU A 7 8.523 6.520 0.253 1.00 0.00 C ATOM 101 CD2 LEU A 7 10.062 7.772 -1.276 1.00 0.00 C ATOM 0 H LEU A 7 12.713 4.363 0.657 1.00 0.00 H new ATOM 0 HA LEU A 7 10.546 5.276 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.222 6.992 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.865 5.927 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 7 9.685 5.668 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.684 6.758 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.347 5.558 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.620 7.294 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.217 8.010 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.188 8.563 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 7 10.967 7.691 -1.878 1.00 0.00 H new ATOM 113 N LEU A 8 9.753 3.509 -0.412 1.00 0.00 N ATOM 114 CA LEU A 8 8.662 2.779 -1.046 1.00 0.00 C ATOM 115 C LEU A 8 8.196 1.620 -0.174 1.00 0.00 C ATOM 116 O LEU A 8 6.996 1.383 -0.029 1.00 0.00 O ATOM 117 CB LEU A 8 9.097 2.268 -2.425 1.00 0.00 C ATOM 118 CG LEU A 8 7.952 1.878 -3.368 1.00 0.00 C ATOM 119 CD1 LEU A 8 8.290 0.584 -4.095 1.00 0.00 C ATOM 120 CD2 LEU A 8 6.664 1.728 -2.570 1.00 0.00 C ATOM 0 H LEU A 8 10.609 3.550 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 8 7.823 3.464 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.697 3.039 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.743 1.401 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 8 7.814 2.661 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.470 0.316 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.201 0.721 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.441 -0.213 -3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.851 1.451 -3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.792 0.952 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.426 2.673 -2.082 1.00 0.00 H new ATOM 132 N LYS A 9 9.151 0.900 0.404 1.00 0.00 N ATOM 133 CA LYS A 9 8.843 -0.128 1.392 1.00 0.00 C ATOM 134 C LYS A 9 8.039 0.446 2.551 1.00 0.00 C ATOM 135 O LYS A 9 7.093 -0.178 3.033 1.00 0.00 O ATOM 136 CB LYS A 9 10.129 -0.772 1.913 1.00 0.00 C ATOM 137 CG LYS A 9 9.906 -1.955 2.845 1.00 0.00 C ATOM 138 CD LYS A 9 11.227 -2.582 3.269 1.00 0.00 C ATOM 139 CE LYS A 9 12.044 -3.021 2.063 1.00 0.00 C ATOM 140 NZ LYS A 9 13.455 -3.323 2.428 1.00 0.00 N ATOM 0 H LYS A 9 10.146 1.009 0.205 1.00 0.00 H new ATOM 0 HA LYS A 9 8.238 -0.891 0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.726 -1.102 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.713 -0.016 2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.357 -1.627 3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.290 -2.703 2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.800 -1.865 3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.034 -3.441 3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.587 -3.905 1.617 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.025 -2.236 1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.021 -3.436 1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.842 -2.542 2.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.490 -4.203 2.982 1.00 0.00 H new ATOM 154 N GLU A 10 8.420 1.639 2.996 1.00 0.00 N ATOM 155 CA GLU A 10 7.743 2.295 4.108 1.00 0.00 C ATOM 156 C GLU A 10 6.343 2.744 3.713 1.00 0.00 C ATOM 157 O GLU A 10 5.412 2.686 4.516 1.00 0.00 O ATOM 158 CB GLU A 10 8.559 3.491 4.603 1.00 0.00 C ATOM 159 CG GLU A 10 7.962 4.205 5.807 1.00 0.00 C ATOM 160 CD GLU A 10 8.854 5.318 6.280 1.00 0.00 C ATOM 161 OE1 GLU A 10 9.897 5.506 5.700 1.00 0.00 O ATOM 162 OE2 GLU A 10 8.445 6.053 7.148 1.00 0.00 O ATOM 0 H GLU A 10 9.196 2.172 2.602 1.00 0.00 H new ATOM 0 HA GLU A 10 7.653 1.570 4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.562 3.150 4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.664 4.206 3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.983 4.607 5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.808 3.491 6.616 1.00 0.00 H new ATOM 169 N ALA A 11 6.200 3.193 2.470 1.00 0.00 N ATOM 170 CA ALA A 11 4.900 3.597 1.946 1.00 0.00 C ATOM 171 C ALA A 11 3.958 2.406 1.833 1.00 0.00 C ATOM 172 O ALA A 11 2.759 2.525 2.088 1.00 0.00 O ATOM 173 CB ALA A 11 5.063 4.279 0.596 1.00 0.00 C ATOM 0 H ALA A 11 6.969 3.286 1.806 1.00 0.00 H new ATOM 0 HA ALA A 11 4.459 4.307 2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.085 4.575 0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.691 5.163 0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.530 3.589 -0.106 1.00 0.00 H new ATOM 179 N LYS A 12 4.506 1.258 1.450 1.00 0.00 N ATOM 180 CA LYS A 12 3.733 0.024 1.387 1.00 0.00 C ATOM 181 C LYS A 12 3.164 -0.341 2.752 1.00 0.00 C ATOM 182 O LYS A 12 1.992 -0.696 2.872 1.00 0.00 O ATOM 183 CB LYS A 12 4.596 -1.122 0.854 1.00 0.00 C ATOM 184 CG LYS A 12 5.003 -0.976 -0.606 1.00 0.00 C ATOM 185 CD LYS A 12 6.168 -1.893 -0.950 1.00 0.00 C ATOM 186 CE LYS A 12 6.485 -1.852 -2.438 1.00 0.00 C ATOM 187 NZ LYS A 12 7.644 -2.718 -2.784 1.00 0.00 N ATOM 0 H LYS A 12 5.484 1.157 1.178 1.00 0.00 H new ATOM 0 HA LYS A 12 2.900 0.188 0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.496 -1.197 1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.051 -2.058 0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.153 -1.208 -1.248 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.280 0.059 -0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.048 -1.595 -0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.928 -2.915 -0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.611 -2.173 -3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.698 -0.825 -2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.827 -2.661 -3.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.485 -2.396 -2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.432 -3.702 -2.524 1.00 0.00 H new ATOM 201 N GLU A 13 4.002 -0.251 3.780 1.00 0.00 N ATOM 202 CA GLU A 13 3.581 -0.563 5.140 1.00 0.00 C ATOM 203 C GLU A 13 2.562 0.450 5.647 1.00 0.00 C ATOM 204 O GLU A 13 1.560 0.082 6.260 1.00 0.00 O ATOM 205 CB GLU A 13 4.790 -0.607 6.078 1.00 0.00 C ATOM 206 CG GLU A 13 5.723 -1.787 5.846 1.00 0.00 C ATOM 207 CD GLU A 13 6.965 -1.675 6.685 1.00 0.00 C ATOM 208 OE1 GLU A 13 7.114 -0.686 7.362 1.00 0.00 O ATOM 209 OE2 GLU A 13 7.711 -2.624 6.737 1.00 0.00 O ATOM 0 H GLU A 13 4.977 0.036 3.696 1.00 0.00 H new ATOM 0 HA GLU A 13 3.108 -1.545 5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.357 0.317 5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.435 -0.637 7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.204 -2.716 6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.997 -1.835 4.792 1.00 0.00 H new ATOM 216 N LYS A 14 2.825 1.726 5.389 1.00 0.00 N ATOM 217 CA LYS A 14 1.968 2.799 5.880 1.00 0.00 C ATOM 218 C LYS A 14 0.595 2.751 5.223 1.00 0.00 C ATOM 219 O LYS A 14 -0.413 3.090 5.844 1.00 0.00 O ATOM 220 CB LYS A 14 2.621 4.160 5.635 1.00 0.00 C ATOM 221 CG LYS A 14 3.752 4.499 6.596 1.00 0.00 C ATOM 222 CD LYS A 14 4.225 5.932 6.414 1.00 0.00 C ATOM 223 CE LYS A 14 3.073 6.918 6.543 1.00 0.00 C ATOM 224 NZ LYS A 14 2.681 7.133 7.962 1.00 0.00 N ATOM 0 H LYS A 14 3.626 2.043 4.842 1.00 0.00 H new ATOM 0 HA LYS A 14 1.837 2.657 6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.007 4.186 4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.857 4.934 5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.415 4.353 7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.586 3.816 6.434 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.988 6.162 7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.691 6.041 5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.359 7.871 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.215 6.549 5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.894 7.811 8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.383 6.229 8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.492 7.510 8.493 1.00 0.00 H new ATOM 238 N ALA A 15 0.561 2.329 3.964 1.00 0.00 N ATOM 239 CA ALA A 15 -0.679 2.307 3.196 1.00 0.00 C ATOM 240 C ALA A 15 -1.666 1.300 3.772 1.00 0.00 C ATOM 241 O ALA A 15 -2.851 1.596 3.923 1.00 0.00 O ATOM 242 CB ALA A 15 -0.391 1.995 1.735 1.00 0.00 C ATOM 0 H ALA A 15 1.379 1.997 3.453 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.134 3.296 3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.326 1.982 1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.268 2.759 1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.091 1.020 1.659 1.00 0.00 H new ATOM 248 N ILE A 16 -1.170 0.110 4.093 1.00 0.00 N ATOM 249 CA ILE A 16 -2.017 -0.962 4.603 1.00 0.00 C ATOM 250 C ILE A 16 -2.376 -0.730 6.065 1.00 0.00 C ATOM 251 O ILE A 16 -3.461 -1.100 6.514 1.00 0.00 O ATOM 252 CB ILE A 16 -1.338 -2.335 4.462 1.00 0.00 C ATOM 253 CG1 ILE A 16 -0.923 -2.579 3.009 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.265 -3.440 4.947 1.00 0.00 C ATOM 255 CD1 ILE A 16 -1.964 -2.154 1.997 1.00 0.00 C ATOM 0 H ILE A 16 -0.184 -0.137 4.009 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.927 -0.956 4.003 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.441 -2.343 5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.004 -2.041 2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.711 -3.640 2.875 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.769 -4.404 4.840 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.512 -3.273 5.995 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.179 -3.435 4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.598 -2.358 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.886 -2.710 2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.160 -1.087 2.102 1.00 0.00 H new ATOM 267 N GLU A 17 -1.458 -0.116 6.805 1.00 0.00 N ATOM 268 CA GLU A 17 -1.687 0.190 8.211 1.00 0.00 C ATOM 269 C GLU A 17 -2.988 0.958 8.403 1.00 0.00 C ATOM 270 O GLU A 17 -3.749 0.687 9.333 1.00 0.00 O ATOM 271 CB GLU A 17 -0.514 0.990 8.783 1.00 0.00 C ATOM 272 CG GLU A 17 -0.644 1.326 10.262 1.00 0.00 C ATOM 273 CD GLU A 17 0.571 2.055 10.765 1.00 0.00 C ATOM 274 OE1 GLU A 17 1.477 2.262 9.995 1.00 0.00 O ATOM 275 OE2 GLU A 17 0.546 2.506 11.887 1.00 0.00 O ATOM 0 H GLU A 17 -0.547 0.179 6.453 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.767 -0.755 8.749 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.405 0.424 8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.414 1.918 8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.531 1.939 10.421 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.784 0.409 10.835 1.00 0.00 H new ATOM 282 N GLU A 18 -3.238 1.918 7.521 1.00 0.00 N ATOM 283 CA GLU A 18 -4.498 2.652 7.523 1.00 0.00 C ATOM 284 C GLU A 18 -5.662 1.748 7.140 1.00 0.00 C ATOM 285 O GLU A 18 -6.753 1.854 7.700 1.00 0.00 O ATOM 286 CB GLU A 18 -4.424 3.847 6.569 1.00 0.00 C ATOM 287 CG GLU A 18 -3.447 4.934 6.997 1.00 0.00 C ATOM 288 CD GLU A 18 -3.396 6.049 5.990 1.00 0.00 C ATOM 289 OE1 GLU A 18 -4.067 5.953 4.991 1.00 0.00 O ATOM 290 OE2 GLU A 18 -2.774 7.046 6.270 1.00 0.00 O ATOM 0 H GLU A 18 -2.584 2.207 6.794 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.669 3.018 8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.140 3.489 5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.418 4.285 6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.744 5.331 7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.452 4.505 7.119 1.00 0.00 H new ATOM 297 N LEU A 19 -5.425 0.860 6.181 1.00 0.00 N ATOM 298 CA LEU A 19 -6.456 -0.059 5.715 1.00 0.00 C ATOM 299 C LEU A 19 -6.880 -1.019 6.821 1.00 0.00 C ATOM 300 O LEU A 19 -8.049 -1.388 6.921 1.00 0.00 O ATOM 301 CB LEU A 19 -5.957 -0.841 4.493 1.00 0.00 C ATOM 302 CG LEU A 19 -6.342 -0.242 3.134 1.00 0.00 C ATOM 303 CD1 LEU A 19 -6.413 1.275 3.233 1.00 0.00 C ATOM 304 CD2 LEU A 19 -5.325 -0.668 2.085 1.00 0.00 C ATOM 0 H LEU A 19 -4.526 0.757 5.710 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.328 0.529 5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.871 -0.913 4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.347 -1.857 4.548 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.325 -0.610 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.687 1.690 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.162 1.557 3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.441 1.666 3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.598 -0.243 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.336 -0.312 2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.312 -1.755 2.012 1.00 0.00 H new ATOM 316 N LYS A 20 -5.921 -1.419 7.649 1.00 0.00 N ATOM 317 CA LYS A 20 -6.212 -2.236 8.821 1.00 0.00 C ATOM 318 C LYS A 20 -7.133 -1.503 9.788 1.00 0.00 C ATOM 319 O LYS A 20 -8.034 -2.101 10.377 1.00 0.00 O ATOM 320 CB LYS A 20 -4.918 -2.639 9.528 1.00 0.00 C ATOM 321 CG LYS A 20 -4.015 -3.556 8.714 1.00 0.00 C ATOM 322 CD LYS A 20 -2.817 -4.019 9.529 1.00 0.00 C ATOM 323 CE LYS A 20 -1.874 -4.873 8.694 1.00 0.00 C ATOM 324 NZ LYS A 20 -0.671 -5.291 9.465 1.00 0.00 N ATOM 0 H LYS A 20 -4.934 -1.190 7.530 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.723 -3.137 8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.363 -1.737 9.785 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.170 -3.136 10.465 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.583 -4.422 8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.670 -3.032 7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.280 -3.152 9.914 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.161 -4.590 10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.403 -5.758 8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.563 -4.313 7.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.055 -5.871 8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.151 -4.448 9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.965 -5.847 10.293 1.00 0.00 H new ATOM 338 N LYS A 21 -6.900 -0.205 9.950 1.00 0.00 N ATOM 339 CA LYS A 21 -7.785 0.639 10.745 1.00 0.00 C ATOM 340 C LYS A 21 -9.140 0.806 10.071 1.00 0.00 C ATOM 341 O LYS A 21 -10.151 1.030 10.735 1.00 0.00 O ATOM 342 CB LYS A 21 -7.145 2.007 10.987 1.00 0.00 C ATOM 343 CG LYS A 21 -5.960 1.987 11.944 1.00 0.00 C ATOM 344 CD LYS A 21 -5.337 3.367 12.083 1.00 0.00 C ATOM 345 CE LYS A 21 -4.131 3.341 13.010 1.00 0.00 C ATOM 346 NZ LYS A 21 -3.487 4.678 13.123 1.00 0.00 N ATOM 0 H LYS A 21 -6.105 0.286 9.541 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.941 0.147 11.705 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.817 2.416 10.031 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.903 2.685 11.380 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.286 1.633 12.922 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.211 1.282 11.583 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.035 3.732 11.101 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.079 4.066 12.469 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.441 3.003 13.999 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.404 2.618 12.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.670 4.617 13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.168 4.990 12.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.173 5.363 13.501 1.00 0.00 H new ATOM 360 N ALA A 22 -9.153 0.697 8.746 1.00 0.00 N ATOM 361 CA ALA A 22 -10.369 0.913 7.971 1.00 0.00 C ATOM 362 C ALA A 22 -11.222 -0.349 7.921 1.00 0.00 C ATOM 363 O ALA A 22 -12.352 -0.327 7.434 1.00 0.00 O ATOM 364 CB ALA A 22 -10.026 1.382 6.565 1.00 0.00 C ATOM 0 H ALA A 22 -8.334 0.460 8.186 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.951 1.690 8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.945 1.539 5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.469 2.318 6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.418 0.626 6.068 1.00 0.00 H new ATOM 370 N GLY A 23 -10.672 -1.448 8.426 1.00 0.00 N ATOM 371 CA GLY A 23 -11.405 -2.707 8.499 1.00 0.00 C ATOM 372 C GLY A 23 -11.229 -3.521 7.223 1.00 0.00 C ATOM 373 O GLY A 23 -12.044 -4.390 6.913 1.00 0.00 O ATOM 0 H GLY A 23 -9.721 -1.493 8.791 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.055 -3.286 9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.464 -2.506 8.662 1.00 0.00 H new ATOM 377 N ILE A 24 -10.161 -3.235 6.487 1.00 0.00 N ATOM 378 CA ILE A 24 -9.877 -3.939 5.243 1.00 0.00 C ATOM 379 C ILE A 24 -9.026 -5.179 5.493 1.00 0.00 C ATOM 380 O ILE A 24 -7.970 -5.101 6.121 1.00 0.00 O ATOM 381 CB ILE A 24 -9.158 -3.030 4.230 1.00 0.00 C ATOM 382 CG1 ILE A 24 -9.981 -1.766 3.968 1.00 0.00 C ATOM 383 CG2 ILE A 24 -8.899 -3.779 2.932 1.00 0.00 C ATOM 384 CD1 ILE A 24 -11.345 -2.039 3.375 1.00 0.00 C ATOM 0 H ILE A 24 -9.477 -2.519 6.731 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.838 -4.240 4.827 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.198 -2.734 4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.104 -1.223 4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.425 -1.115 3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.390 -3.121 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.274 -4.649 3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.847 -4.104 2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -11.869 -1.096 3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.231 -2.554 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.920 -2.664 4.058 1.00 0.00 H new ATOM 396 N THR A 25 -9.493 -6.320 4.998 1.00 0.00 N ATOM 397 CA THR A 25 -8.817 -7.589 5.233 1.00 0.00 C ATOM 398 C THR A 25 -8.504 -8.298 3.921 1.00 0.00 C ATOM 399 O THR A 25 -8.246 -9.500 3.900 1.00 0.00 O ATOM 400 CB THR A 25 -9.660 -8.525 6.119 1.00 0.00 C ATOM 401 OG1 THR A 25 -10.931 -8.756 5.499 1.00 0.00 O ATOM 402 CG2 THR A 25 -9.875 -7.907 7.493 1.00 0.00 C ATOM 0 H THR A 25 -10.338 -6.391 4.431 1.00 0.00 H new ATOM 0 HA THR A 25 -7.886 -7.356 5.749 1.00 0.00 H new ATOM 0 HB THR A 25 -9.128 -9.469 6.235 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.466 -9.353 6.063 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.473 -8.582 8.106 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.910 -7.740 7.972 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.396 -6.956 7.387 1.00 0.00 H new ATOM 410 N SER A 26 -8.526 -7.543 2.828 1.00 0.00 N ATOM 411 CA SER A 26 -8.285 -8.104 1.503 1.00 0.00 C ATOM 412 C SER A 26 -6.793 -8.217 1.216 1.00 0.00 C ATOM 413 O SER A 26 -6.144 -7.232 0.865 1.00 0.00 O ATOM 414 CB SER A 26 -8.965 -7.257 0.445 1.00 0.00 C ATOM 415 OG SER A 26 -8.694 -7.716 -0.850 1.00 0.00 O ATOM 0 H SER A 26 -8.709 -6.539 2.833 1.00 0.00 H new ATOM 0 HA SER A 26 -8.708 -9.108 1.477 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.042 -7.263 0.613 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.633 -6.223 0.540 1.00 0.00 H new ATOM 0 HG SER A 26 -9.452 -7.510 -1.435 1.00 0.00 H new ATOM 421 N ASP A 27 -6.257 -9.423 1.366 1.00 0.00 N ATOM 422 CA ASP A 27 -4.851 -9.677 1.075 1.00 0.00 C ATOM 423 C ASP A 27 -4.555 -9.501 -0.409 1.00 0.00 C ATOM 424 O ASP A 27 -3.429 -9.186 -0.794 1.00 0.00 O ATOM 425 CB ASP A 27 -4.455 -11.084 1.527 1.00 0.00 C ATOM 426 CG ASP A 27 -4.342 -11.252 3.036 1.00 0.00 C ATOM 427 OD1 ASP A 27 -4.337 -10.260 3.727 1.00 0.00 O ATOM 428 OD2 ASP A 27 -4.422 -12.367 3.498 1.00 0.00 O ATOM 0 H ASP A 27 -6.775 -10.241 1.688 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.260 -8.948 1.629 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.190 -11.794 1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.499 -11.343 1.072 1.00 0.00 H new ATOM 433 N TYR A 28 -5.572 -9.707 -1.238 1.00 0.00 N ATOM 434 CA TYR A 28 -5.433 -9.533 -2.679 1.00 0.00 C ATOM 435 C TYR A 28 -4.906 -8.145 -3.017 1.00 0.00 C ATOM 436 O TYR A 28 -3.857 -8.005 -3.646 1.00 0.00 O ATOM 437 CB TYR A 28 -6.774 -9.771 -3.378 1.00 0.00 C ATOM 438 CG TYR A 28 -6.746 -9.498 -4.866 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.240 -10.437 -5.753 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.227 -8.302 -5.378 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.212 -10.192 -7.112 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.204 -8.048 -6.736 1.00 0.00 C ATOM 443 CZ TYR A 28 -6.696 -8.995 -7.601 1.00 0.00 C ATOM 444 OH TYR A 28 -6.672 -8.747 -8.953 1.00 0.00 O ATOM 0 H TYR A 28 -6.503 -9.995 -0.936 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.712 -10.268 -3.036 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.080 -10.804 -3.214 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.531 -9.137 -2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.862 -11.375 -5.375 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.626 -7.558 -4.705 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.813 -10.933 -7.789 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.582 -7.112 -7.119 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.050 -7.860 -9.130 1.00 0.00 H new ATOM 454 N TYR A 29 -5.640 -7.120 -2.597 1.00 0.00 N ATOM 455 CA TYR A 29 -5.276 -5.741 -2.902 1.00 0.00 C ATOM 456 C TYR A 29 -4.009 -5.329 -2.162 1.00 0.00 C ATOM 457 O TYR A 29 -3.251 -4.484 -2.636 1.00 0.00 O ATOM 458 CB TYR A 29 -6.424 -4.794 -2.545 1.00 0.00 C ATOM 459 CG TYR A 29 -7.624 -4.915 -3.458 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.533 -4.575 -4.800 1.00 0.00 C ATOM 461 CD2 TYR A 29 -8.845 -5.363 -2.975 1.00 0.00 C ATOM 462 CE1 TYR A 29 -8.626 -4.683 -5.638 1.00 0.00 C ATOM 463 CE2 TYR A 29 -9.944 -5.475 -3.804 1.00 0.00 C ATOM 464 CZ TYR A 29 -9.830 -5.133 -5.137 1.00 0.00 C ATOM 465 OH TYR A 29 -10.922 -5.240 -5.967 1.00 0.00 O ATOM 0 H TYR A 29 -6.491 -7.218 -2.044 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.082 -5.676 -3.973 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.738 -4.990 -1.520 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.058 -3.768 -2.576 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.593 -4.220 -5.196 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.938 -5.629 -1.932 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.538 -4.416 -6.681 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.887 -5.828 -3.412 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.690 -5.573 -5.457 1.00 0.00 H new ATOM 475 N PHE A 30 -3.788 -5.931 -0.999 1.00 0.00 N ATOM 476 CA PHE A 30 -2.559 -5.710 -0.244 1.00 0.00 C ATOM 477 C PHE A 30 -1.344 -6.213 -1.013 1.00 0.00 C ATOM 478 O PHE A 30 -0.234 -5.709 -0.836 1.00 0.00 O ATOM 479 CB PHE A 30 -2.640 -6.396 1.120 1.00 0.00 C ATOM 480 CG PHE A 30 -3.681 -5.810 2.031 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.529 -4.808 1.586 1.00 0.00 C ATOM 482 CD2 PHE A 30 -3.813 -6.261 3.336 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.486 -4.268 2.424 1.00 0.00 C ATOM 484 CE2 PHE A 30 -4.771 -5.724 4.176 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.607 -4.727 3.721 1.00 0.00 C ATOM 0 H PHE A 30 -4.444 -6.576 -0.558 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.446 -4.636 -0.094 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.854 -7.455 0.972 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.667 -6.333 1.607 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.441 -4.445 0.573 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.160 -7.040 3.700 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.139 -3.487 2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.864 -6.086 5.189 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.355 -4.306 4.377 1.00 0.00 H new ATOM 495 N ASP A 31 -1.558 -7.210 -1.864 1.00 0.00 N ATOM 496 CA ASP A 31 -0.504 -7.714 -2.736 1.00 0.00 C ATOM 497 C ASP A 31 -0.150 -6.700 -3.816 1.00 0.00 C ATOM 498 O ASP A 31 1.009 -6.582 -4.214 1.00 0.00 O ATOM 499 CB ASP A 31 -0.925 -9.039 -3.377 1.00 0.00 C ATOM 500 CG ASP A 31 0.196 -9.771 -4.101 1.00 0.00 C ATOM 501 OD1 ASP A 31 1.163 -10.115 -3.465 1.00 0.00 O ATOM 502 OD2 ASP A 31 0.010 -10.118 -5.244 1.00 0.00 O ATOM 0 H ASP A 31 -2.454 -7.686 -1.969 1.00 0.00 H new ATOM 0 HA ASP A 31 0.382 -7.883 -2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.328 -9.692 -2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.733 -8.847 -4.083 1.00 0.00 H new ATOM 507 N LEU A 32 -1.154 -5.968 -4.285 1.00 0.00 N ATOM 508 CA LEU A 32 -0.992 -5.096 -5.442 1.00 0.00 C ATOM 509 C LEU A 32 0.002 -3.978 -5.156 1.00 0.00 C ATOM 510 O LEU A 32 0.752 -3.561 -6.038 1.00 0.00 O ATOM 511 CB LEU A 32 -2.347 -4.511 -5.859 1.00 0.00 C ATOM 512 CG LEU A 32 -3.102 -5.309 -6.929 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.409 -6.709 -6.415 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.383 -4.578 -7.301 1.00 0.00 C ATOM 0 H LEU A 32 -2.090 -5.961 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.596 -5.694 -6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.979 -4.433 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.189 -3.498 -6.228 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.481 -5.401 -7.820 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.945 -7.269 -7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.477 -7.222 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.025 -6.640 -5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.918 -5.146 -8.062 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.012 -4.473 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.138 -3.590 -7.692 1.00 0.00 H new ATOM 526 N ILE A 33 0.006 -3.499 -3.917 1.00 0.00 N ATOM 527 CA ILE A 33 0.925 -2.445 -3.505 1.00 0.00 C ATOM 528 C ILE A 33 2.357 -2.961 -3.433 1.00 0.00 C ATOM 529 O ILE A 33 3.310 -2.183 -3.482 1.00 0.00 O ATOM 530 CB ILE A 33 0.532 -1.855 -2.139 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.605 -2.930 -1.052 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.862 -1.250 -2.202 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.093 -2.416 0.283 1.00 0.00 C ATOM 0 H ILE A 33 -0.618 -3.825 -3.179 1.00 0.00 H new ATOM 0 HA ILE A 33 0.863 -1.661 -4.259 1.00 0.00 H new ATOM 0 HB ILE A 33 1.238 -1.063 -1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.384 -3.370 -0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.267 -3.728 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.124 -0.837 -1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.881 -0.456 -2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.582 -2.022 -2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.118 -3.235 1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.095 -2.003 0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.419 -1.639 0.642 1.00 0.00 H new ATOM 545 N ASN A 34 2.501 -4.276 -3.316 1.00 0.00 N ATOM 546 CA ASN A 34 3.808 -4.916 -3.415 1.00 0.00 C ATOM 547 C ASN A 34 4.262 -5.019 -4.866 1.00 0.00 C ATOM 548 O ASN A 34 5.446 -4.869 -5.168 1.00 0.00 O ATOM 549 CB ASN A 34 3.805 -6.287 -2.767 1.00 0.00 C ATOM 550 CG ASN A 34 3.707 -6.247 -1.267 1.00 0.00 C ATOM 551 OD1 ASN A 34 4.063 -5.252 -0.627 1.00 0.00 O ATOM 552 ND2 ASN A 34 3.303 -7.355 -0.698 1.00 0.00 N ATOM 0 H ASN A 34 1.728 -4.921 -3.152 1.00 0.00 H new ATOM 0 HA ASN A 34 4.516 -4.287 -2.876 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.968 -6.864 -3.162 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.717 -6.814 -3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.272 -7.424 0.319 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.019 -8.149 -1.272 1.00 0.00 H new ATOM 559 N LYS A 35 3.313 -5.276 -5.760 1.00 0.00 N ATOM 560 CA LYS A 35 3.554 -5.144 -7.192 1.00 0.00 C ATOM 561 C LYS A 35 3.813 -3.693 -7.575 1.00 0.00 C ATOM 562 O LYS A 35 4.448 -3.412 -8.592 1.00 0.00 O ATOM 563 CB LYS A 35 2.370 -5.695 -7.987 1.00 0.00 C ATOM 564 CG LYS A 35 2.252 -7.213 -7.971 1.00 0.00 C ATOM 565 CD LYS A 35 1.046 -7.684 -8.770 1.00 0.00 C ATOM 566 CE LYS A 35 0.944 -9.202 -8.778 1.00 0.00 C ATOM 567 NZ LYS A 35 -0.240 -9.677 -9.543 1.00 0.00 N ATOM 0 H LYS A 35 2.369 -5.577 -5.518 1.00 0.00 H new ATOM 0 HA LYS A 35 4.444 -5.724 -7.436 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.450 -5.267 -7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.455 -5.360 -9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.159 -7.654 -8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.168 -7.562 -6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.137 -7.259 -8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.120 -7.317 -9.794 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.850 -9.624 -9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.883 -9.567 -7.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.272 -10.716 -9.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.107 -9.296 -9.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.170 -9.351 -10.528 1.00 0.00 H new ATOM 581 N ALA A 36 3.317 -2.772 -6.754 1.00 0.00 N ATOM 582 CA ALA A 36 3.469 -1.347 -7.022 1.00 0.00 C ATOM 583 C ALA A 36 4.901 -0.890 -6.773 1.00 0.00 C ATOM 584 O ALA A 36 5.183 -0.205 -5.791 1.00 0.00 O ATOM 585 CB ALA A 36 2.498 -0.542 -6.171 1.00 0.00 C ATOM 0 H ALA A 36 2.806 -2.988 -5.898 1.00 0.00 H new ATOM 0 HA ALA A 36 3.240 -1.175 -8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.623 0.520 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.476 -0.840 -6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.698 -0.728 -5.116 1.00 0.00 H new ATOM 591 N LYS A 37 5.802 -1.273 -7.671 1.00 0.00 N ATOM 592 CA LYS A 37 7.214 -0.934 -7.533 1.00 0.00 C ATOM 593 C LYS A 37 7.420 0.576 -7.527 1.00 0.00 C ATOM 594 O LYS A 37 8.531 1.060 -7.315 1.00 0.00 O ATOM 595 CB LYS A 37 8.031 -1.572 -8.656 1.00 0.00 C ATOM 596 CG LYS A 37 9.539 -1.508 -8.451 1.00 0.00 C ATOM 597 CD LYS A 37 10.277 -2.289 -9.529 1.00 0.00 C ATOM 598 CE LYS A 37 11.774 -2.329 -9.257 1.00 0.00 C ATOM 599 NZ LYS A 37 12.501 -3.148 -10.265 1.00 0.00 N ATOM 0 H LYS A 37 5.580 -1.819 -8.503 1.00 0.00 H new ATOM 0 HA LYS A 37 7.559 -1.329 -6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.734 -2.616 -8.757 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.783 -1.078 -9.595 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.866 -0.468 -8.464 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.792 -1.910 -7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.887 -3.306 -9.576 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.094 -1.832 -10.502 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.171 -1.314 -9.260 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.951 -2.737 -8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.517 -3.149 -10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.141 -4.123 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.354 -2.744 -11.212 1.00 0.00 H new ATOM 613 N THR A 38 6.341 1.315 -7.762 1.00 0.00 N ATOM 614 CA THR A 38 6.355 2.765 -7.598 1.00 0.00 C ATOM 615 C THR A 38 5.605 3.184 -6.341 1.00 0.00 C ATOM 616 O THR A 38 4.678 2.504 -5.904 1.00 0.00 O ATOM 617 CB THR A 38 5.737 3.477 -8.815 1.00 0.00 C ATOM 618 OG1 THR A 38 4.333 3.195 -8.873 1.00 0.00 O ATOM 619 CG2 THR A 38 6.398 3.006 -10.101 1.00 0.00 C ATOM 0 H THR A 38 5.445 0.934 -8.067 1.00 0.00 H new ATOM 0 HA THR A 38 7.400 3.061 -7.509 1.00 0.00 H new ATOM 0 HB THR A 38 5.896 4.550 -8.709 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.940 3.650 -9.647 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.948 3.520 -10.951 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.464 3.229 -10.065 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.256 1.931 -10.211 1.00 0.00 H new ATOM 627 N VAL A 39 6.012 4.309 -5.763 1.00 0.00 N ATOM 628 CA VAL A 39 5.315 4.876 -4.615 1.00 0.00 C ATOM 629 C VAL A 39 3.926 5.367 -5.001 1.00 0.00 C ATOM 630 O VAL A 39 2.973 5.228 -4.234 1.00 0.00 O ATOM 631 CB VAL A 39 6.107 6.042 -3.992 1.00 0.00 C ATOM 632 CG1 VAL A 39 5.283 6.729 -2.914 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.425 5.545 -3.419 1.00 0.00 C ATOM 0 H VAL A 39 6.822 4.847 -6.071 1.00 0.00 H new ATOM 0 HA VAL A 39 5.222 4.078 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 39 6.324 6.768 -4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.857 7.550 -2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.364 7.119 -3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.036 6.011 -2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.971 6.382 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.229 4.799 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.021 5.097 -4.214 1.00 0.00 H new ATOM 643 N GLU A 40 3.817 5.944 -6.192 1.00 0.00 N ATOM 644 CA GLU A 40 2.546 6.466 -6.679 1.00 0.00 C ATOM 645 C GLU A 40 1.526 5.351 -6.864 1.00 0.00 C ATOM 646 O GLU A 40 0.333 5.541 -6.627 1.00 0.00 O ATOM 647 CB GLU A 40 2.744 7.222 -7.994 1.00 0.00 C ATOM 648 CG GLU A 40 3.489 8.543 -7.855 1.00 0.00 C ATOM 649 CD GLU A 40 3.741 9.171 -9.197 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.407 8.567 -10.187 1.00 0.00 O ATOM 651 OE2 GLU A 40 4.164 10.302 -9.230 1.00 0.00 O ATOM 0 H GLU A 40 4.596 6.062 -6.840 1.00 0.00 H new ATOM 0 HA GLU A 40 2.162 7.157 -5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.290 6.583 -8.688 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.768 7.415 -8.439 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.909 9.226 -7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.438 8.376 -7.345 1.00 0.00 H new ATOM 658 N GLY A 41 2.003 4.185 -7.290 1.00 0.00 N ATOM 659 CA GLY A 41 1.149 3.012 -7.427 1.00 0.00 C ATOM 660 C GLY A 41 0.530 2.621 -6.091 1.00 0.00 C ATOM 661 O GLY A 41 -0.675 2.388 -5.997 1.00 0.00 O ATOM 0 H GLY A 41 2.978 4.028 -7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.360 3.216 -8.150 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.732 2.178 -7.818 1.00 0.00 H new ATOM 665 N VAL A 42 1.364 2.550 -5.058 1.00 0.00 N ATOM 666 CA VAL A 42 0.915 2.114 -3.741 1.00 0.00 C ATOM 667 C VAL A 42 -0.172 3.034 -3.198 1.00 0.00 C ATOM 668 O VAL A 42 -1.150 2.574 -2.608 1.00 0.00 O ATOM 669 CB VAL A 42 2.080 2.065 -2.735 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.562 1.784 -1.332 1.00 0.00 C ATOM 671 CG2 VAL A 42 3.095 1.008 -3.147 1.00 0.00 C ATOM 0 H VAL A 42 2.354 2.789 -5.108 1.00 0.00 H new ATOM 0 HA VAL A 42 0.510 1.110 -3.864 1.00 0.00 H new ATOM 0 HB VAL A 42 2.573 3.037 -2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.399 1.753 -0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.871 2.573 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.044 0.825 -1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.912 0.987 -2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.612 0.031 -3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.490 1.248 -4.134 1.00 0.00 H new ATOM 681 N ASN A 43 0.005 4.335 -3.400 1.00 0.00 N ATOM 682 CA ASN A 43 -0.979 5.319 -2.965 1.00 0.00 C ATOM 683 C ASN A 43 -2.238 5.253 -3.819 1.00 0.00 C ATOM 684 O ASN A 43 -3.354 5.345 -3.305 1.00 0.00 O ATOM 685 CB ASN A 43 -0.404 6.724 -2.984 1.00 0.00 C ATOM 686 CG ASN A 43 -1.328 7.763 -2.411 1.00 0.00 C ATOM 687 OD1 ASN A 43 -1.682 7.723 -1.227 1.00 0.00 O ATOM 688 ND2 ASN A 43 -1.784 8.644 -3.264 1.00 0.00 N ATOM 0 H ASN A 43 0.822 4.733 -3.863 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.247 5.075 -1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.530 6.732 -2.423 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.161 6.994 -4.012 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.465 9.341 -2.962 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.459 8.634 -4.231 1.00 0.00 H new ATOM 695 N ALA A 44 -2.055 5.095 -5.125 1.00 0.00 N ATOM 696 CA ALA A 44 -3.177 5.022 -6.053 1.00 0.00 C ATOM 697 C ALA A 44 -4.029 3.787 -5.791 1.00 0.00 C ATOM 698 O ALA A 44 -5.258 3.856 -5.798 1.00 0.00 O ATOM 699 CB ALA A 44 -2.676 5.029 -7.490 1.00 0.00 C ATOM 0 H ALA A 44 -1.139 5.015 -5.566 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.803 5.900 -5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.525 4.974 -8.172 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.120 5.947 -7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.024 4.171 -7.652 1.00 0.00 H new ATOM 705 N LEU A 45 -3.370 2.657 -5.558 1.00 0.00 N ATOM 706 CA LEU A 45 -4.066 1.411 -5.264 1.00 0.00 C ATOM 707 C LEU A 45 -4.814 1.495 -3.940 1.00 0.00 C ATOM 708 O LEU A 45 -5.983 1.120 -3.851 1.00 0.00 O ATOM 709 CB LEU A 45 -3.073 0.242 -5.242 1.00 0.00 C ATOM 710 CG LEU A 45 -2.305 0.013 -6.550 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.933 -0.576 -6.254 1.00 0.00 C ATOM 712 CD2 LEU A 45 -3.105 -0.913 -7.455 1.00 0.00 C ATOM 0 H LEU A 45 -2.353 2.579 -5.567 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.799 1.240 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.353 0.413 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.616 -0.670 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.164 0.966 -7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.396 -0.735 -7.189 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.370 0.113 -5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.050 -1.528 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.559 -1.075 -8.384 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.259 -1.868 -6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.071 -0.460 -7.677 1.00 0.00 H new ATOM 724 N LYS A 46 -4.132 1.992 -2.913 1.00 0.00 N ATOM 725 CA LYS A 46 -4.748 2.182 -1.604 1.00 0.00 C ATOM 726 C LYS A 46 -5.924 3.147 -1.684 1.00 0.00 C ATOM 727 O LYS A 46 -6.934 2.968 -1.004 1.00 0.00 O ATOM 728 CB LYS A 46 -3.717 2.690 -0.596 1.00 0.00 C ATOM 729 CG LYS A 46 -4.165 2.608 0.857 1.00 0.00 C ATOM 730 CD LYS A 46 -3.554 3.726 1.688 1.00 0.00 C ATOM 731 CE LYS A 46 -4.169 5.074 1.344 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.568 6.181 2.137 1.00 0.00 N ATOM 0 H LYS A 46 -3.152 2.271 -2.962 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.124 1.215 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.798 2.115 -0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.477 3.727 -0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.252 2.666 0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.878 1.643 1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.702 3.517 2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.478 3.761 1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.032 5.274 0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.243 5.039 1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.967 7.089 1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.779 6.040 3.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.538 6.189 1.997 1.00 0.00 H new ATOM 746 N ASP A 47 -5.786 4.171 -2.518 1.00 0.00 N ATOM 747 CA ASP A 47 -6.778 5.237 -2.594 1.00 0.00 C ATOM 748 C ASP A 47 -8.174 4.674 -2.828 1.00 0.00 C ATOM 749 O ASP A 47 -9.141 5.106 -2.202 1.00 0.00 O ATOM 750 CB ASP A 47 -6.418 6.228 -3.704 1.00 0.00 C ATOM 751 CG ASP A 47 -7.226 7.518 -3.681 1.00 0.00 C ATOM 752 OD1 ASP A 47 -7.132 8.238 -2.715 1.00 0.00 O ATOM 753 OD2 ASP A 47 -7.804 7.851 -4.688 1.00 0.00 O ATOM 0 H ASP A 47 -4.995 4.286 -3.152 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.777 5.761 -1.638 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.359 6.475 -3.625 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.560 5.742 -4.669 1.00 0.00 H new ATOM 758 N GLU A 48 -8.272 3.707 -3.734 1.00 0.00 N ATOM 759 CA GLU A 48 -9.540 3.040 -4.010 1.00 0.00 C ATOM 760 C GLU A 48 -10.021 2.250 -2.800 1.00 0.00 C ATOM 761 O GLU A 48 -11.212 2.235 -2.491 1.00 0.00 O ATOM 762 CB GLU A 48 -9.406 2.116 -5.222 1.00 0.00 C ATOM 763 CG GLU A 48 -9.232 2.842 -6.550 1.00 0.00 C ATOM 764 CD GLU A 48 -8.996 1.873 -7.675 1.00 0.00 C ATOM 765 OE1 GLU A 48 -8.909 0.698 -7.413 1.00 0.00 O ATOM 766 OE2 GLU A 48 -9.016 2.294 -8.807 1.00 0.00 O ATOM 0 H GLU A 48 -7.488 3.367 -4.291 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.280 3.809 -4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.552 1.456 -5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.292 1.483 -5.281 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.120 3.438 -6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.393 3.534 -6.481 1.00 0.00 H new ATOM 773 N ILE A 49 -9.088 1.594 -2.118 1.00 0.00 N ATOM 774 CA ILE A 49 -9.425 0.741 -0.985 1.00 0.00 C ATOM 775 C ILE A 49 -9.773 1.570 0.244 1.00 0.00 C ATOM 776 O ILE A 49 -10.683 1.226 0.999 1.00 0.00 O ATOM 777 CB ILE A 49 -8.271 -0.216 -0.636 1.00 0.00 C ATOM 778 CG1 ILE A 49 -7.952 -1.125 -1.826 1.00 0.00 C ATOM 779 CG2 ILE A 49 -8.619 -1.044 0.591 1.00 0.00 C ATOM 780 CD1 ILE A 49 -9.105 -2.008 -2.246 1.00 0.00 C ATOM 0 H ILE A 49 -8.091 1.637 -2.331 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.294 0.154 -1.281 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.385 0.378 -0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.652 -0.508 -2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.099 -1.754 -1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.792 -1.715 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.798 -0.382 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.517 -1.630 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.803 -2.622 -3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.391 -2.652 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -9.954 -1.387 -2.532 1.00 0.00 H new ATOM 792 N LEU A 50 -9.046 2.665 0.439 1.00 0.00 N ATOM 793 CA LEU A 50 -9.304 3.569 1.554 1.00 0.00 C ATOM 794 C LEU A 50 -10.671 4.227 1.424 1.00 0.00 C ATOM 795 O LEU A 50 -11.371 4.429 2.417 1.00 0.00 O ATOM 796 CB LEU A 50 -8.204 4.634 1.638 1.00 0.00 C ATOM 797 CG LEU A 50 -8.328 5.608 2.817 1.00 0.00 C ATOM 798 CD1 LEU A 50 -8.135 4.864 4.132 1.00 0.00 C ATOM 799 CD2 LEU A 50 -7.298 6.718 2.670 1.00 0.00 C ATOM 0 H LEU A 50 -8.272 2.948 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.300 2.983 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.238 4.132 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.204 5.208 0.711 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.324 6.051 2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.225 5.564 4.963 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.896 4.089 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.146 4.406 4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.386 7.410 3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.297 6.287 2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.472 7.254 1.737 1.00 0.00 H new ATOM 811 N LYS A 51 -11.048 4.559 0.195 1.00 0.00 N ATOM 812 CA LYS A 51 -12.341 5.178 -0.070 1.00 0.00 C ATOM 813 C LYS A 51 -13.455 4.138 -0.097 1.00 0.00 C ATOM 814 O LYS A 51 -14.628 4.467 0.073 1.00 0.00 O ATOM 815 CB LYS A 51 -12.307 5.946 -1.392 1.00 0.00 C ATOM 816 CG LYS A 51 -11.438 7.197 -1.371 1.00 0.00 C ATOM 817 CD LYS A 51 -11.395 7.864 -2.737 1.00 0.00 C ATOM 818 CE LYS A 51 -10.582 9.150 -2.701 1.00 0.00 C ATOM 819 NZ LYS A 51 -10.499 9.794 -4.040 1.00 0.00 N ATOM 0 H LYS A 51 -10.475 4.409 -0.636 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.547 5.877 0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.945 5.280 -2.176 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.325 6.230 -1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.826 7.899 -0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.427 6.935 -1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.962 7.178 -3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.410 8.082 -3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.033 9.844 -1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.577 8.933 -2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.937 10.666 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.046 9.142 -4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.456 10.024 -4.374 1.00 0.00 H new ATOM 833 N ALA A 52 -13.078 2.882 -0.310 1.00 0.00 N ATOM 834 CA ALA A 52 -14.040 1.786 -0.327 1.00 0.00 C ATOM 835 C ALA A 52 -14.725 1.635 1.025 1.00 0.00 C ATOM 836 O ALA A 52 -15.632 2.362 1.322 1.00 0.00 O ATOM 837 CB ALA A 52 -13.356 0.487 -0.726 1.00 0.00 C ATOM 838 OXT ALA A 52 -14.359 0.789 1.793 1.00 0.00 O ATOM 0 H ALA A 52 -12.112 2.597 -0.473 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.806 2.020 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.087 -0.322 -0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.923 0.594 -1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.568 0.256 -0.010 1.00 0.00 H new TER 844 ALA A 52