USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=8 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+ -113:sc= 0.0689 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0507 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+ 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 140:sc= -0.0377 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= -0.0298 K(o=-0.03,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= 0.314 USER MOD Single : A 43 ASN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -126:sc= 1.61 (180deg=-0.319) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.530 -3.453 -1.284 1.00 0.00 N ATOM 2 CA GLY A 1 17.592 -2.461 -1.796 1.00 0.00 C ATOM 3 C GLY A 1 18.172 -1.055 -1.704 1.00 0.00 C ATOM 4 O GLY A 1 19.105 -0.807 -0.940 1.00 0.00 O ATOM 0 H1 GLY A 1 18.855 -4.059 -2.064 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.347 -2.971 -0.857 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.059 -4.038 -0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.348 -2.689 -2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.661 -2.511 -1.231 1.00 0.00 H new ATOM 10 N THR A 2 17.614 -0.138 -2.487 1.00 0.00 N ATOM 11 CA THR A 2 18.059 1.251 -2.477 1.00 0.00 C ATOM 12 C THR A 2 17.337 2.051 -1.400 1.00 0.00 C ATOM 13 O THR A 2 16.378 1.572 -0.794 1.00 0.00 O ATOM 14 CB THR A 2 17.833 1.926 -3.842 1.00 0.00 C ATOM 15 OG1 THR A 2 16.426 2.064 -4.083 1.00 0.00 O ATOM 16 CG2 THR A 2 18.455 1.099 -4.955 1.00 0.00 C ATOM 0 H THR A 2 16.852 -0.332 -3.137 1.00 0.00 H new ATOM 0 HA THR A 2 19.127 1.238 -2.262 1.00 0.00 H new ATOM 0 HB THR A 2 18.304 2.909 -3.827 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.284 2.495 -4.951 1.00 0.00 H new ATOM 0 HG21 THR A 2 18.285 1.591 -5.913 1.00 0.00 H new ATOM 0 HG22 THR A 2 19.527 1.003 -4.781 1.00 0.00 H new ATOM 0 HG23 THR A 2 18.000 0.109 -4.971 1.00 0.00 H new ATOM 24 N ILE A 3 17.803 3.273 -1.166 1.00 0.00 N ATOM 25 CA ILE A 3 17.171 4.163 -0.199 1.00 0.00 C ATOM 26 C ILE A 3 15.744 4.500 -0.613 1.00 0.00 C ATOM 27 O ILE A 3 14.840 4.545 0.222 1.00 0.00 O ATOM 28 CB ILE A 3 17.968 5.469 -0.029 1.00 0.00 C ATOM 29 CG1 ILE A 3 19.315 5.188 0.643 1.00 0.00 C ATOM 30 CG2 ILE A 3 17.167 6.478 0.780 1.00 0.00 C ATOM 31 CD1 ILE A 3 20.269 6.361 0.611 1.00 0.00 C ATOM 0 H ILE A 3 18.618 3.670 -1.634 1.00 0.00 H new ATOM 0 HA ILE A 3 17.154 3.633 0.753 1.00 0.00 H new ATOM 0 HB ILE A 3 18.157 5.892 -1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.140 4.902 1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 3 19.785 4.336 0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.744 7.396 0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 3 16.232 6.698 0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 3 16.950 6.064 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.201 6.086 1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.475 6.635 -0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.820 7.209 1.128 1.00 0.00 H new ATOM 43 N ASP A 4 15.548 4.736 -1.905 1.00 0.00 N ATOM 44 CA ASP A 4 14.219 5.008 -2.442 1.00 0.00 C ATOM 45 C ASP A 4 13.306 3.799 -2.289 1.00 0.00 C ATOM 46 O ASP A 4 12.121 3.937 -1.988 1.00 0.00 O ATOM 47 CB ASP A 4 14.308 5.416 -3.913 1.00 0.00 C ATOM 48 CG ASP A 4 14.868 6.814 -4.146 1.00 0.00 C ATOM 49 OD1 ASP A 4 14.968 7.557 -3.198 1.00 0.00 O ATOM 50 OD2 ASP A 4 15.334 7.073 -5.229 1.00 0.00 O ATOM 0 H ASP A 4 16.293 4.745 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 4 13.792 5.833 -1.872 1.00 0.00 H new ATOM 0 HB2 ASP A 4 14.933 4.695 -4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.313 5.358 -4.354 1.00 0.00 H new ATOM 55 N GLU A 5 13.865 2.611 -2.497 1.00 0.00 N ATOM 56 CA GLU A 5 13.121 1.371 -2.316 1.00 0.00 C ATOM 57 C GLU A 5 12.818 1.119 -0.844 1.00 0.00 C ATOM 58 O GLU A 5 11.805 0.507 -0.504 1.00 0.00 O ATOM 59 CB GLU A 5 13.896 0.190 -2.904 1.00 0.00 C ATOM 60 CG GLU A 5 13.979 0.185 -4.423 1.00 0.00 C ATOM 61 CD GLU A 5 14.933 -0.869 -4.915 1.00 0.00 C ATOM 62 OE1 GLU A 5 15.598 -1.465 -4.103 1.00 0.00 O ATOM 63 OE2 GLU A 5 14.916 -1.155 -6.088 1.00 0.00 O ATOM 0 H GLU A 5 14.833 2.482 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 5 12.174 1.471 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.907 0.196 -2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.426 -0.737 -2.575 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.989 0.007 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.303 1.164 -4.775 1.00 0.00 H new ATOM 70 N TRP A 6 13.702 1.595 0.025 1.00 0.00 N ATOM 71 CA TRP A 6 13.487 1.503 1.464 1.00 0.00 C ATOM 72 C TRP A 6 12.343 2.405 1.909 1.00 0.00 C ATOM 73 O TRP A 6 11.532 2.025 2.753 1.00 0.00 O ATOM 74 CB TRP A 6 14.767 1.869 2.219 1.00 0.00 C ATOM 75 CG TRP A 6 15.853 0.845 2.087 1.00 0.00 C ATOM 76 CD1 TRP A 6 15.705 -0.457 1.714 1.00 0.00 C ATOM 77 CD2 TRP A 6 17.253 1.037 2.326 1.00 0.00 C ATOM 78 NE1 TRP A 6 16.924 -1.089 1.706 1.00 0.00 N ATOM 79 CE2 TRP A 6 17.891 -0.190 2.076 1.00 0.00 C ATOM 80 CE3 TRP A 6 18.028 2.133 2.725 1.00 0.00 C ATOM 81 CZ2 TRP A 6 19.260 -0.357 2.215 1.00 0.00 C ATOM 82 CZ3 TRP A 6 19.401 1.966 2.862 1.00 0.00 C ATOM 83 CH2 TRP A 6 19.999 0.756 2.613 1.00 0.00 C ATOM 0 H TRP A 6 14.575 2.049 -0.242 1.00 0.00 H new ATOM 0 HA TRP A 6 13.219 0.472 1.696 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.135 2.827 1.851 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.531 2.003 3.275 1.00 0.00 H new ATOM 0 HD1 TRP A 6 14.765 -0.924 1.461 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.084 -2.067 1.464 1.00 0.00 H new ATOM 0 HE3 TRP A 6 17.568 3.090 2.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 19.734 -1.308 2.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 20.009 2.804 3.170 1.00 0.00 H new ATOM 0 HH2 TRP A 6 21.069 0.664 2.728 1.00 0.00 H new ATOM 94 N LEU A 7 12.283 3.602 1.336 1.00 0.00 N ATOM 95 CA LEU A 7 11.177 4.518 1.587 1.00 0.00 C ATOM 96 C LEU A 7 9.859 3.939 1.087 1.00 0.00 C ATOM 97 O LEU A 7 8.842 3.999 1.779 1.00 0.00 O ATOM 98 CB LEU A 7 11.449 5.874 0.925 1.00 0.00 C ATOM 99 CG LEU A 7 12.699 6.607 1.429 1.00 0.00 C ATOM 100 CD1 LEU A 7 13.106 7.688 0.437 1.00 0.00 C ATOM 101 CD2 LEU A 7 12.417 7.210 2.797 1.00 0.00 C ATOM 0 H LEU A 7 12.989 3.961 0.693 1.00 0.00 H new ATOM 0 HA LEU A 7 11.095 4.661 2.664 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.545 5.723 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.583 6.517 1.081 1.00 0.00 H new ATOM 0 HG LEU A 7 13.523 5.900 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 7 13.994 8.203 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.324 7.232 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.292 8.404 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.305 7.731 3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.589 7.915 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.154 6.417 3.497 1.00 0.00 H new ATOM 113 N LEU A 8 9.883 3.380 -0.118 1.00 0.00 N ATOM 114 CA LEU A 8 8.712 2.717 -0.678 1.00 0.00 C ATOM 115 C LEU A 8 8.310 1.508 0.158 1.00 0.00 C ATOM 116 O LEU A 8 7.124 1.258 0.373 1.00 0.00 O ATOM 117 CB LEU A 8 8.984 2.296 -2.128 1.00 0.00 C ATOM 118 CG LEU A 8 7.984 1.292 -2.716 1.00 0.00 C ATOM 119 CD1 LEU A 8 6.567 1.832 -2.586 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.328 1.024 -4.172 1.00 0.00 C ATOM 0 H LEU A 8 10.702 3.373 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 8 7.884 3.425 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.989 3.189 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.983 1.863 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 8 8.044 0.354 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.864 1.113 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.335 1.995 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.486 2.776 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.617 0.311 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.279 1.956 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.335 0.613 -4.238 1.00 0.00 H new ATOM 132 N LYS A 9 9.304 0.762 0.627 1.00 0.00 N ATOM 133 CA LYS A 9 9.065 -0.340 1.550 1.00 0.00 C ATOM 134 C LYS A 9 8.305 0.129 2.784 1.00 0.00 C ATOM 135 O LYS A 9 7.432 -0.573 3.292 1.00 0.00 O ATOM 136 CB LYS A 9 10.386 -0.989 1.963 1.00 0.00 C ATOM 137 CG LYS A 9 10.235 -2.327 2.676 1.00 0.00 C ATOM 138 CD LYS A 9 11.577 -2.847 3.167 1.00 0.00 C ATOM 139 CE LYS A 9 12.255 -1.848 4.093 1.00 0.00 C ATOM 140 NZ LYS A 9 11.719 -1.922 5.479 1.00 0.00 N ATOM 0 H LYS A 9 10.284 0.901 0.382 1.00 0.00 H new ATOM 0 HA LYS A 9 8.453 -1.079 1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.000 -1.132 1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.926 -0.302 2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.555 -2.217 3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.787 -3.054 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.433 -3.792 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.224 -3.051 2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.328 -2.038 4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.115 -0.840 3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.207 -1.226 6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.700 -1.716 5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.875 -2.877 5.861 1.00 0.00 H new ATOM 154 N GLU A 10 8.642 1.323 3.261 1.00 0.00 N ATOM 155 CA GLU A 10 7.925 1.932 4.375 1.00 0.00 C ATOM 156 C GLU A 10 6.565 2.458 3.933 1.00 0.00 C ATOM 157 O GLU A 10 5.596 2.415 4.692 1.00 0.00 O ATOM 158 CB GLU A 10 8.752 3.065 4.988 1.00 0.00 C ATOM 159 CG GLU A 10 9.996 2.603 5.734 1.00 0.00 C ATOM 160 CD GLU A 10 10.807 3.770 6.221 1.00 0.00 C ATOM 161 OE1 GLU A 10 10.437 4.884 5.939 1.00 0.00 O ATOM 162 OE2 GLU A 10 11.733 3.555 6.968 1.00 0.00 O ATOM 0 H GLU A 10 9.407 1.888 2.893 1.00 0.00 H new ATOM 0 HA GLU A 10 7.764 1.162 5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.052 3.750 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.120 3.629 5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.705 1.982 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.606 1.982 5.078 1.00 0.00 H new ATOM 169 N ALA A 11 6.499 2.954 2.703 1.00 0.00 N ATOM 170 CA ALA A 11 5.251 3.462 2.148 1.00 0.00 C ATOM 171 C ALA A 11 4.204 2.360 2.045 1.00 0.00 C ATOM 172 O ALA A 11 3.025 2.582 2.322 1.00 0.00 O ATOM 173 CB ALA A 11 5.495 4.094 0.785 1.00 0.00 C ATOM 0 H ALA A 11 7.297 3.015 2.070 1.00 0.00 H new ATOM 0 HA ALA A 11 4.868 4.226 2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.553 4.469 0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.200 4.919 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.907 3.347 0.106 1.00 0.00 H new ATOM 179 N LYS A 12 4.641 1.171 1.644 1.00 0.00 N ATOM 180 CA LYS A 12 3.736 0.042 1.467 1.00 0.00 C ATOM 181 C LYS A 12 3.115 -0.379 2.792 1.00 0.00 C ATOM 182 O LYS A 12 1.907 -0.604 2.879 1.00 0.00 O ATOM 183 CB LYS A 12 4.472 -1.140 0.833 1.00 0.00 C ATOM 184 CG LYS A 12 4.912 -0.908 -0.607 1.00 0.00 C ATOM 185 CD LYS A 12 5.986 -1.901 -1.024 1.00 0.00 C ATOM 186 CE LYS A 12 6.323 -1.766 -2.501 1.00 0.00 C ATOM 187 NZ LYS A 12 7.186 -2.879 -2.980 1.00 0.00 N ATOM 0 H LYS A 12 5.618 0.964 1.435 1.00 0.00 H new ATOM 0 HA LYS A 12 2.934 0.359 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.350 -1.371 1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.824 -2.016 0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.052 -0.999 -1.271 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.292 0.108 -0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.884 -1.739 -0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.645 -2.916 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.401 -1.746 -3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.829 -0.816 -2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.392 -2.748 -3.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.077 -2.883 -2.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.694 -3.784 -2.841 1.00 0.00 H new ATOM 201 N GLU A 13 3.946 -0.483 3.823 1.00 0.00 N ATOM 202 CA GLU A 13 3.478 -0.871 5.149 1.00 0.00 C ATOM 203 C GLU A 13 2.603 0.213 5.764 1.00 0.00 C ATOM 204 O GLU A 13 1.529 -0.069 6.295 1.00 0.00 O ATOM 205 CB GLU A 13 4.663 -1.174 6.069 1.00 0.00 C ATOM 206 CG GLU A 13 4.274 -1.633 7.466 1.00 0.00 C ATOM 207 CD GLU A 13 5.487 -1.953 8.295 1.00 0.00 C ATOM 208 OE1 GLU A 13 6.577 -1.826 7.790 1.00 0.00 O ATOM 209 OE2 GLU A 13 5.331 -2.213 9.464 1.00 0.00 O ATOM 0 H GLU A 13 4.949 -0.304 3.766 1.00 0.00 H new ATOM 0 HA GLU A 13 2.876 -1.773 5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.279 -1.944 5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.280 -0.279 6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.691 -0.854 7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.636 -2.514 7.397 1.00 0.00 H new ATOM 216 N LYS A 14 3.067 1.455 5.688 1.00 0.00 N ATOM 217 CA LYS A 14 2.419 2.560 6.384 1.00 0.00 C ATOM 218 C LYS A 14 1.040 2.845 5.801 1.00 0.00 C ATOM 219 O LYS A 14 0.105 3.177 6.529 1.00 0.00 O ATOM 220 CB LYS A 14 3.287 3.818 6.320 1.00 0.00 C ATOM 221 CG LYS A 14 4.500 3.792 7.241 1.00 0.00 C ATOM 222 CD LYS A 14 5.293 5.087 7.147 1.00 0.00 C ATOM 223 CE LYS A 14 4.439 6.288 7.527 1.00 0.00 C ATOM 224 NZ LYS A 14 5.155 7.574 7.302 1.00 0.00 N ATOM 0 H LYS A 14 3.891 1.722 5.150 1.00 0.00 H new ATOM 0 HA LYS A 14 2.295 2.269 7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.628 3.958 5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.673 4.682 6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.175 3.636 8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.141 2.951 6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.161 5.033 7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.669 5.212 6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.519 6.278 6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.152 6.211 8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.539 8.367 7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.020 7.595 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.407 7.660 6.297 1.00 0.00 H new ATOM 238 N ALA A 15 0.922 2.713 4.484 1.00 0.00 N ATOM 239 CA ALA A 15 -0.297 3.097 3.783 1.00 0.00 C ATOM 240 C ALA A 15 -1.461 2.191 4.165 1.00 0.00 C ATOM 241 O ALA A 15 -2.573 2.660 4.402 1.00 0.00 O ATOM 242 CB ALA A 15 -0.073 3.071 2.278 1.00 0.00 C ATOM 0 H ALA A 15 1.656 2.343 3.881 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.552 4.114 4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.992 3.360 1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.722 3.769 2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.212 2.065 1.970 1.00 0.00 H new ATOM 248 N ILE A 16 -1.198 0.890 4.222 1.00 0.00 N ATOM 249 CA ILE A 16 -2.245 -0.094 4.465 1.00 0.00 C ATOM 250 C ILE A 16 -2.712 -0.055 5.914 1.00 0.00 C ATOM 251 O ILE A 16 -3.830 -0.465 6.228 1.00 0.00 O ATOM 252 CB ILE A 16 -1.771 -1.520 4.127 1.00 0.00 C ATOM 253 CG1 ILE A 16 -1.235 -1.578 2.694 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.905 -2.516 4.316 1.00 0.00 C ATOM 255 CD1 ILE A 16 -2.100 -0.854 1.688 1.00 0.00 C ATOM 0 H ILE A 16 -0.266 0.492 4.103 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.077 0.166 3.811 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.963 -1.788 4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.233 -1.149 2.673 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.141 -2.622 2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.553 -3.519 4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.242 -2.491 5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.734 -2.253 3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.655 -0.940 0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.096 -1.297 1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.174 0.198 1.962 1.00 0.00 H new ATOM 267 N GLU A 17 -1.849 0.439 6.796 1.00 0.00 N ATOM 268 CA GLU A 17 -2.192 0.585 8.206 1.00 0.00 C ATOM 269 C GLU A 17 -3.548 1.258 8.376 1.00 0.00 C ATOM 270 O GLU A 17 -4.319 0.908 9.270 1.00 0.00 O ATOM 271 CB GLU A 17 -1.113 1.383 8.940 1.00 0.00 C ATOM 272 CG GLU A 17 -1.340 1.515 10.439 1.00 0.00 C ATOM 273 CD GLU A 17 -0.211 2.257 11.099 1.00 0.00 C ATOM 274 OE1 GLU A 17 0.703 2.642 10.412 1.00 0.00 O ATOM 275 OE2 GLU A 17 -0.316 2.538 12.270 1.00 0.00 O ATOM 0 H GLU A 17 -0.906 0.745 6.559 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.250 -0.413 8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.148 0.906 8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.056 2.380 8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.278 2.038 10.622 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.436 0.524 10.883 1.00 0.00 H new ATOM 282 N GLU A 18 -3.835 2.227 7.513 1.00 0.00 N ATOM 283 CA GLU A 18 -5.140 2.876 7.496 1.00 0.00 C ATOM 284 C GLU A 18 -6.242 1.889 7.136 1.00 0.00 C ATOM 285 O GLU A 18 -7.325 1.914 7.719 1.00 0.00 O ATOM 286 CB GLU A 18 -5.142 4.049 6.512 1.00 0.00 C ATOM 287 CG GLU A 18 -4.251 5.213 6.919 1.00 0.00 C ATOM 288 CD GLU A 18 -4.159 6.240 5.824 1.00 0.00 C ATOM 289 OE1 GLU A 18 -4.675 5.993 4.760 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.672 7.314 6.084 1.00 0.00 O ATOM 0 H GLU A 18 -3.180 2.580 6.815 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.337 3.255 8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.823 3.688 5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.164 4.411 6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.645 5.677 7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.254 4.844 7.159 1.00 0.00 H new ATOM 297 N LEU A 19 -5.958 1.018 6.173 1.00 0.00 N ATOM 298 CA LEU A 19 -6.920 0.009 5.744 1.00 0.00 C ATOM 299 C LEU A 19 -7.210 -0.985 6.863 1.00 0.00 C ATOM 300 O LEU A 19 -8.354 -1.394 7.061 1.00 0.00 O ATOM 301 CB LEU A 19 -6.401 -0.723 4.501 1.00 0.00 C ATOM 302 CG LEU A 19 -6.883 -0.154 3.160 1.00 0.00 C ATOM 303 CD1 LEU A 19 -6.861 1.368 3.202 1.00 0.00 C ATOM 304 CD2 LEU A 19 -5.998 -0.676 2.039 1.00 0.00 C ATOM 0 H LEU A 19 -5.069 0.991 5.674 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.853 0.514 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.311 -0.703 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.701 -1.769 4.563 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.908 -0.475 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.205 1.763 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.518 1.720 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.844 1.712 3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.341 -0.272 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.968 -0.367 2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.050 -1.764 2.011 1.00 0.00 H new ATOM 316 N LYS A 20 -6.167 -1.369 7.590 1.00 0.00 N ATOM 317 CA LYS A 20 -6.319 -2.256 8.738 1.00 0.00 C ATOM 318 C LYS A 20 -7.184 -1.617 9.816 1.00 0.00 C ATOM 319 O LYS A 20 -7.986 -2.290 10.462 1.00 0.00 O ATOM 320 CB LYS A 20 -4.951 -2.627 9.313 1.00 0.00 C ATOM 321 CG LYS A 20 -4.054 -3.399 8.354 1.00 0.00 C ATOM 322 CD LYS A 20 -2.855 -3.995 9.077 1.00 0.00 C ATOM 323 CE LYS A 20 -1.860 -2.917 9.480 1.00 0.00 C ATOM 324 NZ LYS A 20 -0.699 -3.480 10.222 1.00 0.00 N ATOM 0 H LYS A 20 -5.206 -1.080 7.405 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.816 -3.163 8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.438 -1.714 9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.098 -3.224 10.213 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.627 -4.195 7.878 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.710 -2.735 7.561 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.192 -4.531 9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.364 -4.723 8.432 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.505 -2.400 8.589 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.361 -2.174 10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.045 -2.713 10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.035 -3.951 11.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.205 -4.170 9.621 1.00 0.00 H new ATOM 338 N LYS A 21 -7.017 -0.312 10.007 1.00 0.00 N ATOM 339 CA LYS A 21 -7.883 0.450 10.898 1.00 0.00 C ATOM 340 C LYS A 21 -9.296 0.551 10.340 1.00 0.00 C ATOM 341 O LYS A 21 -10.262 0.687 11.089 1.00 0.00 O ATOM 342 CB LYS A 21 -7.311 1.847 11.136 1.00 0.00 C ATOM 343 CG LYS A 21 -6.064 1.876 12.012 1.00 0.00 C ATOM 344 CD LYS A 21 -5.532 3.293 12.171 1.00 0.00 C ATOM 345 CE LYS A 21 -4.255 3.315 12.999 1.00 0.00 C ATOM 346 NZ LYS A 21 -3.690 4.687 13.111 1.00 0.00 N ATOM 0 H LYS A 21 -6.288 0.240 9.555 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.930 -0.080 11.849 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.074 2.298 10.173 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.079 2.467 11.598 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.296 1.460 12.993 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.293 1.243 11.572 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.338 3.723 11.188 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.288 3.916 12.648 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.462 2.925 13.996 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.517 2.654 12.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.821 4.659 13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.469 5.050 12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.385 5.312 13.567 1.00 0.00 H new ATOM 360 N ALA A 22 -9.410 0.484 9.017 1.00 0.00 N ATOM 361 CA ALA A 22 -10.695 0.652 8.349 1.00 0.00 C ATOM 362 C ALA A 22 -11.469 -0.659 8.306 1.00 0.00 C ATOM 363 O ALA A 22 -12.627 -0.694 7.891 1.00 0.00 O ATOM 364 CB ALA A 22 -10.494 1.199 6.943 1.00 0.00 C ATOM 0 H ALA A 22 -8.627 0.314 8.386 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.282 1.369 8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.462 1.319 6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.993 2.166 6.997 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.882 0.505 6.367 1.00 0.00 H new ATOM 370 N GLY A 23 -10.821 -1.737 8.737 1.00 0.00 N ATOM 371 CA GLY A 23 -11.469 -3.041 8.812 1.00 0.00 C ATOM 372 C GLY A 23 -11.296 -3.817 7.513 1.00 0.00 C ATOM 373 O GLY A 23 -12.028 -4.770 7.245 1.00 0.00 O ATOM 0 H GLY A 23 -9.847 -1.733 9.040 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.048 -3.612 9.639 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.531 -2.911 9.023 1.00 0.00 H new ATOM 377 N ILE A 24 -10.321 -3.407 6.709 1.00 0.00 N ATOM 378 CA ILE A 24 -10.024 -4.086 5.454 1.00 0.00 C ATOM 379 C ILE A 24 -9.109 -5.283 5.680 1.00 0.00 C ATOM 380 O ILE A 24 -8.033 -5.154 6.263 1.00 0.00 O ATOM 381 CB ILE A 24 -9.368 -3.135 4.437 1.00 0.00 C ATOM 382 CG1 ILE A 24 -10.271 -1.927 4.177 1.00 0.00 C ATOM 383 CG2 ILE A 24 -9.068 -3.869 3.139 1.00 0.00 C ATOM 384 CD1 ILE A 24 -11.606 -2.283 3.564 1.00 0.00 C ATOM 0 H ILE A 24 -9.722 -2.605 6.905 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.976 -4.431 5.051 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.426 -2.777 4.854 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.442 -1.404 5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.752 -1.233 3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.604 -3.182 2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.389 -4.698 3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.996 -4.254 2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.189 -1.375 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.446 -2.779 2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.147 -2.952 4.233 1.00 0.00 H new ATOM 396 N THR A 25 -9.543 -6.450 5.214 1.00 0.00 N ATOM 397 CA THR A 25 -8.804 -7.686 5.436 1.00 0.00 C ATOM 398 C THR A 25 -8.509 -8.396 4.120 1.00 0.00 C ATOM 399 O THR A 25 -8.252 -9.599 4.097 1.00 0.00 O ATOM 400 CB THR A 25 -9.574 -8.646 6.363 1.00 0.00 C ATOM 401 OG1 THR A 25 -10.856 -8.939 5.793 1.00 0.00 O ATOM 402 CG2 THR A 25 -9.764 -8.022 7.737 1.00 0.00 C ATOM 0 H THR A 25 -10.404 -6.565 4.680 1.00 0.00 H new ATOM 0 HA THR A 25 -7.865 -7.408 5.914 1.00 0.00 H new ATOM 0 HB THR A 25 -8.998 -9.565 6.469 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.344 -9.551 6.383 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.310 -8.714 8.379 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.790 -7.810 8.178 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.329 -7.095 7.641 1.00 0.00 H new ATOM 410 N SER A 26 -8.548 -7.642 3.027 1.00 0.00 N ATOM 411 CA SER A 26 -8.307 -8.203 1.702 1.00 0.00 C ATOM 412 C SER A 26 -6.815 -8.300 1.407 1.00 0.00 C ATOM 413 O SER A 26 -6.181 -7.311 1.041 1.00 0.00 O ATOM 414 CB SER A 26 -9.001 -7.363 0.647 1.00 0.00 C ATOM 415 OG SER A 26 -8.678 -7.779 -0.652 1.00 0.00 O ATOM 0 H SER A 26 -8.744 -6.641 3.032 1.00 0.00 H new ATOM 0 HA SER A 26 -8.718 -9.212 1.680 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.080 -7.422 0.789 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.720 -6.318 0.773 1.00 0.00 H new ATOM 0 HG SER A 26 -9.479 -7.744 -1.215 1.00 0.00 H new ATOM 421 N ASP A 27 -6.262 -9.496 1.568 1.00 0.00 N ATOM 422 CA ASP A 27 -4.866 -9.748 1.230 1.00 0.00 C ATOM 423 C ASP A 27 -4.626 -9.592 -0.268 1.00 0.00 C ATOM 424 O ASP A 27 -3.516 -9.285 -0.699 1.00 0.00 O ATOM 425 CB ASP A 27 -4.446 -11.146 1.687 1.00 0.00 C ATOM 426 CG ASP A 27 -4.276 -11.291 3.192 1.00 0.00 C ATOM 427 OD1 ASP A 27 -4.251 -10.289 3.867 1.00 0.00 O ATOM 428 OD2 ASP A 27 -4.331 -12.398 3.672 1.00 0.00 O ATOM 0 H ASP A 27 -6.760 -10.309 1.931 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.258 -9.009 1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.191 -11.865 1.347 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.506 -11.407 1.201 1.00 0.00 H new ATOM 433 N TYR A 28 -5.676 -9.806 -1.055 1.00 0.00 N ATOM 434 CA TYR A 28 -5.596 -9.633 -2.500 1.00 0.00 C ATOM 435 C TYR A 28 -5.131 -8.229 -2.863 1.00 0.00 C ATOM 436 O TYR A 28 -4.120 -8.055 -3.543 1.00 0.00 O ATOM 437 CB TYR A 28 -6.952 -9.921 -3.149 1.00 0.00 C ATOM 438 CG TYR A 28 -6.981 -9.678 -4.642 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.480 -10.621 -5.528 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.510 -8.505 -5.161 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.505 -10.403 -6.891 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.540 -8.278 -6.523 1.00 0.00 C ATOM 443 CZ TYR A 28 -7.036 -9.230 -7.385 1.00 0.00 C ATOM 444 OH TYR A 28 -7.064 -9.008 -8.743 1.00 0.00 O ATOM 0 H TYR A 28 -6.592 -10.100 -0.716 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.862 -10.344 -2.880 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.224 -10.958 -2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.710 -9.298 -2.675 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.064 -11.541 -5.145 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.905 -7.757 -4.489 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.111 -11.147 -7.567 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.956 -7.360 -6.911 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.471 -8.135 -8.923 1.00 0.00 H new ATOM 454 N TYR A 29 -5.875 -7.228 -2.404 1.00 0.00 N ATOM 455 CA TYR A 29 -5.573 -5.838 -2.725 1.00 0.00 C ATOM 456 C TYR A 29 -4.316 -5.366 -2.005 1.00 0.00 C ATOM 457 O TYR A 29 -3.601 -4.492 -2.492 1.00 0.00 O ATOM 458 CB TYR A 29 -6.755 -4.935 -2.363 1.00 0.00 C ATOM 459 CG TYR A 29 -7.950 -5.097 -3.275 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.862 -4.783 -4.624 1.00 0.00 C ATOM 461 CD2 TYR A 29 -9.163 -5.558 -2.786 1.00 0.00 C ATOM 462 CE1 TYR A 29 -8.951 -4.927 -5.463 1.00 0.00 C ATOM 463 CE2 TYR A 29 -10.259 -5.708 -3.616 1.00 0.00 C ATOM 464 CZ TYR A 29 -10.147 -5.390 -4.954 1.00 0.00 C ATOM 465 OH TYR A 29 -11.235 -5.535 -5.784 1.00 0.00 O ATOM 0 H TYR A 29 -6.693 -7.354 -1.808 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.395 -5.776 -3.799 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.061 -5.146 -1.338 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.428 -3.896 -2.390 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.927 -4.420 -5.025 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.253 -5.804 -1.738 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.866 -4.679 -6.511 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.196 -6.071 -3.220 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.997 -5.872 -5.268 1.00 0.00 H new ATOM 475 N PHE A 30 -4.053 -5.952 -0.841 1.00 0.00 N ATOM 476 CA PHE A 30 -2.803 -5.712 -0.128 1.00 0.00 C ATOM 477 C PHE A 30 -1.606 -6.196 -0.937 1.00 0.00 C ATOM 478 O PHE A 30 -0.502 -5.664 -0.809 1.00 0.00 O ATOM 479 CB PHE A 30 -2.827 -6.399 1.238 1.00 0.00 C ATOM 480 CG PHE A 30 -3.826 -5.811 2.195 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.732 -4.851 1.770 1.00 0.00 C ATOM 482 CD2 PHE A 30 -3.860 -6.216 3.520 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.650 -4.309 2.648 1.00 0.00 C ATOM 484 CE2 PHE A 30 -4.778 -5.676 4.401 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.673 -4.721 3.965 1.00 0.00 C ATOM 0 H PHE A 30 -4.689 -6.597 -0.371 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.703 -4.636 0.018 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.050 -7.457 1.099 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.833 -6.339 1.682 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.720 -4.524 0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.161 -6.962 3.868 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.350 -3.562 2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.795 -6.002 5.431 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.390 -4.297 4.653 1.00 0.00 H new ATOM 495 N ASP A 31 -1.830 -7.207 -1.768 1.00 0.00 N ATOM 496 CA ASP A 31 -0.786 -7.721 -2.648 1.00 0.00 C ATOM 497 C ASP A 31 -0.451 -6.721 -3.748 1.00 0.00 C ATOM 498 O ASP A 31 0.700 -6.612 -4.171 1.00 0.00 O ATOM 499 CB ASP A 31 -1.213 -9.056 -3.264 1.00 0.00 C ATOM 500 CG ASP A 31 -0.098 -9.800 -3.985 1.00 0.00 C ATOM 501 OD1 ASP A 31 0.873 -10.137 -3.350 1.00 0.00 O ATOM 502 OD2 ASP A 31 -0.292 -10.165 -5.120 1.00 0.00 O ATOM 0 H ASP A 31 -2.726 -7.688 -1.851 1.00 0.00 H new ATOM 0 HA ASP A 31 0.109 -7.879 -2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.610 -9.696 -2.476 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.026 -8.875 -3.967 1.00 0.00 H new ATOM 507 N LEU A 32 -1.464 -5.994 -4.208 1.00 0.00 N ATOM 508 CA LEU A 32 -1.329 -5.161 -5.397 1.00 0.00 C ATOM 509 C LEU A 32 -0.298 -4.061 -5.184 1.00 0.00 C ATOM 510 O LEU A 32 0.420 -3.683 -6.110 1.00 0.00 O ATOM 511 CB LEU A 32 -2.687 -4.553 -5.774 1.00 0.00 C ATOM 512 CG LEU A 32 -3.468 -5.318 -6.850 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.834 -6.707 -6.342 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.718 -4.535 -7.225 1.00 0.00 C ATOM 0 H LEU A 32 -2.387 -5.965 -3.775 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.983 -5.792 -6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.302 -4.492 -4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.527 -3.532 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.846 -5.432 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.388 -7.242 -7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.925 -7.257 -6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.451 -6.617 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.272 -5.079 -7.990 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.346 -4.408 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.432 -3.557 -7.611 1.00 0.00 H new ATOM 526 N ILE A 33 -0.228 -3.550 -3.959 1.00 0.00 N ATOM 527 CA ILE A 33 0.730 -2.505 -3.618 1.00 0.00 C ATOM 528 C ILE A 33 2.154 -3.043 -3.615 1.00 0.00 C ATOM 529 O ILE A 33 3.116 -2.281 -3.715 1.00 0.00 O ATOM 530 CB ILE A 33 0.422 -1.884 -2.243 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.463 -2.956 -1.152 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.933 -1.192 -2.264 1.00 0.00 C ATOM 533 CD1 ILE A 33 0.951 -2.446 0.186 1.00 0.00 C ATOM 0 H ILE A 33 -0.824 -3.843 -3.185 1.00 0.00 H new ATOM 0 HA ILE A 33 0.639 -1.734 -4.383 1.00 0.00 H new ATOM 0 HB ILE A 33 1.185 -1.138 -2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.536 -3.374 -1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.111 -3.769 -1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.135 -0.758 -1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.927 -0.403 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.709 -1.918 -2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.952 -3.263 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.963 -2.054 0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.290 -1.653 0.536 1.00 0.00 H new ATOM 545 N ASN A 34 2.284 -4.360 -3.498 1.00 0.00 N ATOM 546 CA ASN A 34 3.590 -5.008 -3.526 1.00 0.00 C ATOM 547 C ASN A 34 4.148 -5.061 -4.943 1.00 0.00 C ATOM 548 O ASN A 34 5.359 -4.969 -5.148 1.00 0.00 O ATOM 549 CB ASN A 34 3.532 -6.403 -2.933 1.00 0.00 C ATOM 550 CG ASN A 34 3.332 -6.419 -1.443 1.00 0.00 C ATOM 551 OD1 ASN A 34 3.711 -5.479 -0.736 1.00 0.00 O ATOM 552 ND2 ASN A 34 2.813 -7.516 -0.954 1.00 0.00 N ATOM 0 H ASN A 34 1.499 -5.001 -3.383 1.00 0.00 H new ATOM 0 HA ASN A 34 4.260 -4.406 -2.912 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.720 -6.955 -3.406 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.457 -6.929 -3.172 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.706 -7.624 0.055 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.516 -8.263 -1.581 1.00 0.00 H new ATOM 559 N LYS A 35 3.258 -5.211 -5.918 1.00 0.00 N ATOM 560 CA LYS A 35 3.619 -5.025 -7.319 1.00 0.00 C ATOM 561 C LYS A 35 3.992 -3.576 -7.605 1.00 0.00 C ATOM 562 O LYS A 35 4.735 -3.291 -8.544 1.00 0.00 O ATOM 563 CB LYS A 35 2.469 -5.461 -8.229 1.00 0.00 C ATOM 564 CG LYS A 35 2.790 -5.403 -9.717 1.00 0.00 C ATOM 565 CD LYS A 35 1.642 -5.952 -10.552 1.00 0.00 C ATOM 566 CE LYS A 35 1.960 -5.892 -12.039 1.00 0.00 C ATOM 567 NZ LYS A 35 0.843 -6.419 -12.869 1.00 0.00 N ATOM 0 H LYS A 35 2.281 -5.461 -5.764 1.00 0.00 H new ATOM 0 HA LYS A 35 4.490 -5.647 -7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.183 -6.481 -7.970 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.604 -4.828 -8.031 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.993 -4.372 -10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.695 -5.976 -9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.440 -6.983 -10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.736 -5.381 -10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.168 -4.861 -12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.864 -6.467 -12.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.100 -6.360 -13.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.660 -7.411 -12.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.013 -5.855 -12.697 1.00 0.00 H new ATOM 581 N ALA A 36 3.474 -2.665 -6.788 1.00 0.00 N ATOM 582 CA ALA A 36 3.620 -1.237 -7.044 1.00 0.00 C ATOM 583 C ALA A 36 5.047 -0.773 -6.782 1.00 0.00 C ATOM 584 O ALA A 36 5.320 -0.109 -5.782 1.00 0.00 O ATOM 585 CB ALA A 36 2.637 -0.443 -6.195 1.00 0.00 C ATOM 0 H ALA A 36 2.949 -2.890 -5.943 1.00 0.00 H new ATOM 0 HA ALA A 36 3.398 -1.059 -8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.758 0.621 -6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.619 -0.745 -6.439 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.829 -0.636 -5.140 1.00 0.00 H new ATOM 591 N LYS A 37 5.955 -1.128 -7.685 1.00 0.00 N ATOM 592 CA LYS A 37 7.362 -0.779 -7.535 1.00 0.00 C ATOM 593 C LYS A 37 7.555 0.732 -7.504 1.00 0.00 C ATOM 594 O LYS A 37 8.665 1.221 -7.297 1.00 0.00 O ATOM 595 CB LYS A 37 8.189 -1.392 -8.666 1.00 0.00 C ATOM 596 CG LYS A 37 9.691 -1.398 -8.415 1.00 0.00 C ATOM 597 CD LYS A 37 10.431 -2.168 -9.498 1.00 0.00 C ATOM 598 CE LYS A 37 11.911 -2.300 -9.173 1.00 0.00 C ATOM 599 NZ LYS A 37 12.635 -3.106 -10.193 1.00 0.00 N ATOM 0 H LYS A 37 5.741 -1.658 -8.530 1.00 0.00 H new ATOM 0 HA LYS A 37 7.707 -1.185 -6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.856 -2.417 -8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.989 -0.842 -9.585 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.060 -0.373 -8.379 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.897 -1.845 -7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.991 -3.159 -9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.311 -1.659 -10.455 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.358 -1.308 -9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.027 -2.765 -8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.640 -3.172 -9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.225 -4.061 -10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.546 -2.649 -11.123 1.00 0.00 H new ATOM 613 N THR A 38 6.467 1.466 -7.711 1.00 0.00 N ATOM 614 CA THR A 38 6.464 2.908 -7.495 1.00 0.00 C ATOM 615 C THR A 38 5.662 3.278 -6.255 1.00 0.00 C ATOM 616 O THR A 38 4.734 2.568 -5.869 1.00 0.00 O ATOM 617 CB THR A 38 5.887 3.659 -8.709 1.00 0.00 C ATOM 618 OG1 THR A 38 4.492 3.358 -8.842 1.00 0.00 O ATOM 619 CG2 THR A 38 6.613 3.254 -9.983 1.00 0.00 C ATOM 0 H THR A 38 5.575 1.086 -8.028 1.00 0.00 H new ATOM 0 HA THR A 38 7.503 3.206 -7.354 1.00 0.00 H new ATOM 0 HB THR A 38 6.022 4.729 -8.552 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.126 3.838 -9.614 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.191 3.795 -10.830 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.672 3.494 -9.890 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.497 2.182 -10.143 1.00 0.00 H new ATOM 627 N VAL A 39 6.027 4.393 -5.632 1.00 0.00 N ATOM 628 CA VAL A 39 5.276 4.918 -4.497 1.00 0.00 C ATOM 629 C VAL A 39 3.892 5.391 -4.925 1.00 0.00 C ATOM 630 O VAL A 39 2.915 5.215 -4.198 1.00 0.00 O ATOM 631 CB VAL A 39 6.019 6.085 -3.818 1.00 0.00 C ATOM 632 CG1 VAL A 39 5.138 6.732 -2.760 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.321 5.599 -3.201 1.00 0.00 C ATOM 0 H VAL A 39 6.839 4.952 -5.894 1.00 0.00 H new ATOM 0 HA VAL A 39 5.173 4.101 -3.783 1.00 0.00 H new ATOM 0 HB VAL A 39 6.254 6.832 -4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.678 7.554 -2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.230 7.114 -3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.874 5.992 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.833 6.436 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.107 4.834 -2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.958 5.179 -3.979 1.00 0.00 H new ATOM 643 N GLU A 40 3.817 5.991 -6.108 1.00 0.00 N ATOM 644 CA GLU A 40 2.554 6.499 -6.629 1.00 0.00 C ATOM 645 C GLU A 40 1.563 5.368 -6.869 1.00 0.00 C ATOM 646 O GLU A 40 0.357 5.534 -6.674 1.00 0.00 O ATOM 647 CB GLU A 40 2.785 7.279 -7.926 1.00 0.00 C ATOM 648 CG GLU A 40 3.499 8.610 -7.740 1.00 0.00 C ATOM 649 CD GLU A 40 3.787 9.264 -9.062 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.500 8.670 -10.073 1.00 0.00 O ATOM 651 OE2 GLU A 40 4.190 10.404 -9.064 1.00 0.00 O ATOM 0 H GLU A 40 4.617 6.137 -6.724 1.00 0.00 H new ATOM 0 HA GLU A 40 2.131 7.170 -5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.367 6.660 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.822 7.461 -8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.885 9.273 -7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.432 8.452 -7.199 1.00 0.00 H new ATOM 658 N GLY A 41 2.075 4.218 -7.293 1.00 0.00 N ATOM 659 CA GLY A 41 1.246 3.033 -7.483 1.00 0.00 C ATOM 660 C GLY A 41 0.573 2.618 -6.182 1.00 0.00 C ATOM 661 O GLY A 41 -0.632 2.366 -6.147 1.00 0.00 O ATOM 0 H GLY A 41 3.062 4.081 -7.512 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.488 3.234 -8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.859 2.213 -7.856 1.00 0.00 H new ATOM 665 N VAL A 42 1.358 2.546 -5.112 1.00 0.00 N ATOM 666 CA VAL A 42 0.857 2.081 -3.824 1.00 0.00 C ATOM 667 C VAL A 42 -0.286 2.956 -3.327 1.00 0.00 C ATOM 668 O VAL A 42 -1.281 2.457 -2.803 1.00 0.00 O ATOM 669 CB VAL A 42 1.971 2.055 -2.760 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.390 1.747 -1.389 1.00 0.00 C ATOM 671 CG2 VAL A 42 3.037 1.035 -3.128 1.00 0.00 C ATOM 0 H VAL A 42 2.345 2.804 -5.112 1.00 0.00 H new ATOM 0 HA VAL A 42 0.491 1.066 -3.979 1.00 0.00 H new ATOM 0 HB VAL A 42 2.436 3.040 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.191 1.732 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.663 2.514 -1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.900 0.774 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.815 1.031 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.586 0.045 -3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.475 1.297 -4.091 1.00 0.00 H new ATOM 681 N ASN A 43 -0.138 4.265 -3.497 1.00 0.00 N ATOM 682 CA ASN A 43 -1.174 5.211 -3.101 1.00 0.00 C ATOM 683 C ASN A 43 -2.376 5.132 -4.033 1.00 0.00 C ATOM 684 O ASN A 43 -3.523 5.166 -3.586 1.00 0.00 O ATOM 685 CB ASN A 43 -0.640 6.631 -3.053 1.00 0.00 C ATOM 686 CG ASN A 43 -1.626 7.630 -2.511 1.00 0.00 C ATOM 687 OD1 ASN A 43 -2.047 7.550 -1.351 1.00 0.00 O ATOM 688 ND2 ASN A 43 -2.055 8.521 -3.367 1.00 0.00 N ATOM 0 H ASN A 43 0.691 4.696 -3.907 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.496 4.934 -2.097 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.259 6.651 -2.438 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.345 6.933 -4.058 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.770 9.193 -3.089 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.674 8.544 -4.313 1.00 0.00 H new ATOM 695 N ALA A 44 -2.108 5.027 -5.330 1.00 0.00 N ATOM 696 CA ALA A 44 -3.168 4.972 -6.330 1.00 0.00 C ATOM 697 C ALA A 44 -4.010 3.713 -6.171 1.00 0.00 C ATOM 698 O ALA A 44 -5.241 3.769 -6.205 1.00 0.00 O ATOM 699 CB ALA A 44 -2.579 5.047 -7.731 1.00 0.00 C ATOM 0 H ALA A 44 -1.164 4.978 -5.714 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.820 5.832 -6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.383 5.005 -8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.031 5.982 -7.846 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.901 4.208 -7.886 1.00 0.00 H new ATOM 705 N LEU A 45 -3.342 2.577 -5.999 1.00 0.00 N ATOM 706 CA LEU A 45 -4.029 1.309 -5.785 1.00 0.00 C ATOM 707 C LEU A 45 -4.887 1.354 -4.527 1.00 0.00 C ATOM 708 O LEU A 45 -6.084 1.067 -4.570 1.00 0.00 O ATOM 709 CB LEU A 45 -3.012 0.164 -5.697 1.00 0.00 C ATOM 710 CG LEU A 45 -2.152 -0.042 -6.950 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.790 -0.599 -6.561 1.00 0.00 C ATOM 712 CD2 LEU A 45 -2.866 -0.982 -7.909 1.00 0.00 C ATOM 0 H LEU A 45 -2.324 2.509 -6.004 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.688 1.133 -6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.352 0.349 -4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.548 -0.762 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.999 0.915 -7.448 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.186 -0.742 -7.457 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.288 0.101 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.919 -1.555 -6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.254 -1.128 -8.799 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.031 -1.943 -7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.825 -0.550 -8.195 1.00 0.00 H new ATOM 724 N LYS A 46 -4.269 1.715 -3.407 1.00 0.00 N ATOM 725 CA LYS A 46 -4.963 1.745 -2.125 1.00 0.00 C ATOM 726 C LYS A 46 -6.123 2.732 -2.149 1.00 0.00 C ATOM 727 O LYS A 46 -7.151 2.513 -1.508 1.00 0.00 O ATOM 728 CB LYS A 46 -3.991 2.103 -1.000 1.00 0.00 C ATOM 729 CG LYS A 46 -4.453 1.681 0.389 1.00 0.00 C ATOM 730 CD LYS A 46 -3.773 2.504 1.473 1.00 0.00 C ATOM 731 CE LYS A 46 -4.316 3.924 1.514 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.644 4.747 2.555 1.00 0.00 N ATOM 0 H LYS A 46 -3.288 1.991 -3.362 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.367 0.750 -1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.028 1.637 -1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.831 3.181 -1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.534 1.797 0.466 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.235 0.624 0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.923 2.027 2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.698 2.529 1.293 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.181 4.392 0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.388 3.897 1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.360 5.166 3.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.005 4.146 3.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.097 5.505 2.099 1.00 0.00 H new ATOM 746 N ASP A 47 -5.952 3.820 -2.894 1.00 0.00 N ATOM 747 CA ASP A 47 -6.923 4.907 -2.894 1.00 0.00 C ATOM 748 C ASP A 47 -8.342 4.378 -3.060 1.00 0.00 C ATOM 749 O ASP A 47 -9.272 4.853 -2.409 1.00 0.00 O ATOM 750 CB ASP A 47 -6.603 5.911 -4.005 1.00 0.00 C ATOM 751 CG ASP A 47 -7.379 7.219 -3.914 1.00 0.00 C ATOM 752 OD1 ASP A 47 -7.219 7.913 -2.938 1.00 0.00 O ATOM 753 OD2 ASP A 47 -7.999 7.587 -4.882 1.00 0.00 O ATOM 0 H ASP A 47 -5.150 3.972 -3.505 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.858 5.412 -1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.536 6.133 -3.981 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.810 5.446 -4.969 1.00 0.00 H new ATOM 758 N GLU A 48 -8.502 3.392 -3.936 1.00 0.00 N ATOM 759 CA GLU A 48 -9.803 2.777 -4.168 1.00 0.00 C ATOM 760 C GLU A 48 -10.302 2.057 -2.922 1.00 0.00 C ATOM 761 O GLU A 48 -11.488 2.109 -2.595 1.00 0.00 O ATOM 762 CB GLU A 48 -9.733 1.802 -5.346 1.00 0.00 C ATOM 763 CG GLU A 48 -9.550 2.467 -6.702 1.00 0.00 C ATOM 764 CD GLU A 48 -9.378 1.446 -7.792 1.00 0.00 C ATOM 765 OE1 GLU A 48 -9.336 0.279 -7.486 1.00 0.00 O ATOM 766 OE2 GLU A 48 -9.402 1.823 -8.940 1.00 0.00 O ATOM 0 H GLU A 48 -7.745 3.001 -4.498 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.509 3.572 -4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.908 1.110 -5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.647 1.209 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.414 3.094 -6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.679 3.122 -6.674 1.00 0.00 H new ATOM 773 N ILE A 49 -9.390 1.384 -2.228 1.00 0.00 N ATOM 774 CA ILE A 49 -9.746 0.604 -1.050 1.00 0.00 C ATOM 775 C ILE A 49 -10.027 1.507 0.145 1.00 0.00 C ATOM 776 O ILE A 49 -10.952 1.260 0.919 1.00 0.00 O ATOM 777 CB ILE A 49 -8.636 -0.395 -0.676 1.00 0.00 C ATOM 778 CG1 ILE A 49 -8.340 -1.330 -1.853 1.00 0.00 C ATOM 779 CG2 ILE A 49 -9.031 -1.193 0.556 1.00 0.00 C ATOM 780 CD1 ILE A 49 -9.512 -2.198 -2.251 1.00 0.00 C ATOM 0 H ILE A 49 -8.397 1.364 -2.462 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.650 0.050 -1.303 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.730 0.165 -0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.034 -0.733 -2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.497 -1.970 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.235 -1.894 0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.192 -0.514 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.949 -1.744 0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.227 -2.832 -3.090 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.805 -2.823 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.350 -1.566 -2.543 1.00 0.00 H new ATOM 792 N LEU A 50 -9.223 2.554 0.290 1.00 0.00 N ATOM 793 CA LEU A 50 -9.392 3.505 1.383 1.00 0.00 C ATOM 794 C LEU A 50 -10.714 4.251 1.264 1.00 0.00 C ATOM 795 O LEU A 50 -11.373 4.530 2.266 1.00 0.00 O ATOM 796 CB LEU A 50 -8.221 4.495 1.411 1.00 0.00 C ATOM 797 CG LEU A 50 -8.255 5.514 2.556 1.00 0.00 C ATOM 798 CD1 LEU A 50 -8.127 4.800 3.895 1.00 0.00 C ATOM 799 CD2 LEU A 50 -7.131 6.523 2.373 1.00 0.00 C ATOM 0 H LEU A 50 -8.446 2.766 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.405 2.946 2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.291 3.931 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.201 5.036 0.465 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.207 6.044 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.152 5.532 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.954 4.100 4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.183 4.256 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.156 7.247 3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.172 6.004 2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.259 7.041 1.423 1.00 0.00 H new ATOM 811 N LYS A 51 -11.097 4.573 0.033 1.00 0.00 N ATOM 812 CA LYS A 51 -12.359 5.259 -0.221 1.00 0.00 C ATOM 813 C LYS A 51 -13.531 4.288 -0.186 1.00 0.00 C ATOM 814 O LYS A 51 -14.674 4.686 0.038 1.00 0.00 O ATOM 815 CB LYS A 51 -12.313 5.981 -1.569 1.00 0.00 C ATOM 816 CG LYS A 51 -11.396 7.196 -1.602 1.00 0.00 C ATOM 817 CD LYS A 51 -11.375 7.838 -2.981 1.00 0.00 C ATOM 818 CE LYS A 51 -10.544 9.112 -2.987 1.00 0.00 C ATOM 819 NZ LYS A 51 -10.483 9.730 -4.340 1.00 0.00 N ATOM 0 H LYS A 51 -10.552 4.370 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.504 5.995 0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.989 5.276 -2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.323 6.296 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.730 7.926 -0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.385 6.899 -1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.968 7.133 -3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.394 8.065 -3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.969 9.826 -2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.534 8.888 -2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.908 10.595 -4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.054 9.059 -5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.445 9.968 -4.657 1.00 0.00 H new ATOM 833 N ALA A 52 -13.241 3.011 -0.411 1.00 0.00 N ATOM 834 CA ALA A 52 -14.264 1.973 -0.363 1.00 0.00 C ATOM 835 C ALA A 52 -14.811 1.804 1.049 1.00 0.00 C ATOM 836 O ALA A 52 -15.635 2.567 1.469 1.00 0.00 O ATOM 837 CB ALA A 52 -13.707 0.655 -0.882 1.00 0.00 C ATOM 838 OXT ALA A 52 -14.416 0.905 1.740 1.00 0.00 O ATOM 0 H ALA A 52 -12.305 2.670 -0.629 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.088 2.281 -1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.483 -0.110 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.377 0.780 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.862 0.349 -0.265 1.00 0.00 H new TER 844 ALA A 52