USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 721 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 51:sc= 0.675 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 6:sc= 0.0632 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 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 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -157:sc= -0.204 (180deg=-0.749) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 30 GLN : amide:sc= -0.644 X(o=-0.64,f=-0.6) USER MOD Single : A 31 ASN : amide:sc= -0.0722 X(o=-0.072,f=-0.54) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.384) USER MOD Single : A 41 THR OG1 : rot 79:sc= 1.22 USER MOD Single : A 44 GLN : amide:sc= -4.48 K(o=-4.5,f=-7!) USER MOD Single : A 49 GLN : amide:sc= -1.72 K(o=-1.7,f=-6.4!) USER MOD Single : A 54 SER OG : rot 180:sc=-0.00705 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -5.33 K(o=-5.3,f=-11!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0837 K(o=-0.084,f=-1.9!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 79:sc= 0.0832 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -56:sc= 0.0179 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.015 15.824 -6.444 1.00 0.00 N ATOM 2 CA GLY A 1 20.547 16.059 -5.114 1.00 0.00 C ATOM 3 C GLY A 1 19.648 16.952 -4.281 1.00 0.00 C ATOM 4 O GLY A 1 19.154 17.970 -4.763 1.00 0.00 O ATOM 0 H1 GLY A 1 20.665 15.209 -6.974 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.085 15.364 -6.370 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.913 16.731 -6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.679 15.104 -4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.533 16.516 -5.196 1.00 0.00 H new ATOM 8 N SER A 2 19.434 16.567 -3.027 1.00 0.00 N ATOM 9 CA SER A 2 18.584 17.337 -2.125 1.00 0.00 C ATOM 10 C SER A 2 19.171 18.721 -1.874 1.00 0.00 C ATOM 11 O SER A 2 19.958 18.915 -0.947 1.00 0.00 O ATOM 12 CB SER A 2 18.408 16.596 -0.799 1.00 0.00 C ATOM 13 OG SER A 2 19.661 16.331 -0.193 1.00 0.00 O ATOM 0 H SER A 2 19.837 15.727 -2.612 1.00 0.00 H new ATOM 0 HA SER A 2 17.609 17.456 -2.598 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.793 17.192 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.878 15.659 -0.970 1.00 0.00 H new ATOM 0 HG SER A 2 20.185 17.158 -0.150 1.00 0.00 H new ATOM 19 N SER A 3 18.785 19.682 -2.707 1.00 0.00 N ATOM 20 CA SER A 3 19.277 21.050 -2.578 1.00 0.00 C ATOM 21 C SER A 3 18.796 21.679 -1.274 1.00 0.00 C ATOM 22 O SER A 3 19.441 22.572 -0.728 1.00 0.00 O ATOM 23 CB SER A 3 18.813 21.894 -3.766 1.00 0.00 C ATOM 24 OG SER A 3 17.507 22.401 -3.553 1.00 0.00 O ATOM 0 H SER A 3 18.133 19.539 -3.479 1.00 0.00 H new ATOM 0 HA SER A 3 20.367 21.019 -2.566 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.506 22.721 -3.922 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.828 21.290 -4.673 1.00 0.00 H new ATOM 0 HG SER A 3 17.235 22.938 -4.326 1.00 0.00 H new ATOM 30 N GLY A 4 17.657 21.204 -0.780 1.00 0.00 N ATOM 31 CA GLY A 4 17.108 21.731 0.456 1.00 0.00 C ATOM 32 C GLY A 4 15.656 22.145 0.317 1.00 0.00 C ATOM 33 O GLY A 4 15.307 23.301 0.555 1.00 0.00 O ATOM 0 H GLY A 4 17.105 20.464 -1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.194 20.977 1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.698 22.590 0.775 1.00 0.00 H new ATOM 37 N SER A 5 14.808 21.201 -0.075 1.00 0.00 N ATOM 38 CA SER A 5 13.386 21.474 -0.253 1.00 0.00 C ATOM 39 C SER A 5 12.544 20.275 0.174 1.00 0.00 C ATOM 40 O SER A 5 12.829 19.138 -0.201 1.00 0.00 O ATOM 41 CB SER A 5 13.092 21.826 -1.712 1.00 0.00 C ATOM 42 OG SER A 5 13.535 23.136 -2.021 1.00 0.00 O ATOM 0 H SER A 5 15.080 20.239 -0.276 1.00 0.00 H new ATOM 0 HA SER A 5 13.122 22.323 0.378 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.584 21.108 -2.368 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.021 21.747 -1.899 1.00 0.00 H new ATOM 0 HG SER A 5 14.028 23.503 -1.258 1.00 0.00 H new ATOM 48 N SER A 6 11.506 20.540 0.960 1.00 0.00 N ATOM 49 CA SER A 6 10.623 19.483 1.442 1.00 0.00 C ATOM 50 C SER A 6 9.280 19.527 0.720 1.00 0.00 C ATOM 51 O SER A 6 8.799 20.596 0.344 1.00 0.00 O ATOM 52 CB SER A 6 10.410 19.616 2.951 1.00 0.00 C ATOM 53 OG SER A 6 10.067 18.368 3.528 1.00 0.00 O ATOM 0 H SER A 6 11.255 21.477 1.277 1.00 0.00 H new ATOM 0 HA SER A 6 11.096 18.524 1.233 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.318 19.999 3.417 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.620 20.341 3.148 1.00 0.00 H new ATOM 0 HG SER A 6 9.938 18.478 4.493 1.00 0.00 H new ATOM 59 N GLY A 7 8.678 18.356 0.532 1.00 0.00 N ATOM 60 CA GLY A 7 7.395 18.283 -0.142 1.00 0.00 C ATOM 61 C GLY A 7 6.524 17.162 0.389 1.00 0.00 C ATOM 62 O GLY A 7 5.400 17.396 0.831 1.00 0.00 O ATOM 0 H GLY A 7 9.056 17.458 0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.872 19.232 -0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.557 18.138 -1.210 1.00 0.00 H new ATOM 66 N SER A 8 7.043 15.938 0.343 1.00 0.00 N ATOM 67 CA SER A 8 6.303 14.776 0.818 1.00 0.00 C ATOM 68 C SER A 8 4.996 14.611 0.049 1.00 0.00 C ATOM 69 O SER A 8 3.944 14.360 0.637 1.00 0.00 O ATOM 70 CB SER A 8 6.013 14.906 2.315 1.00 0.00 C ATOM 71 OG SER A 8 7.162 14.600 3.086 1.00 0.00 O ATOM 0 H SER A 8 7.973 15.727 -0.019 1.00 0.00 H new ATOM 0 HA SER A 8 6.918 13.892 0.649 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.682 15.920 2.538 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.198 14.237 2.590 1.00 0.00 H new ATOM 0 HG SER A 8 6.951 14.692 4.039 1.00 0.00 H new ATOM 77 N ILE A 9 5.072 14.755 -1.270 1.00 0.00 N ATOM 78 CA ILE A 9 3.896 14.622 -2.122 1.00 0.00 C ATOM 79 C ILE A 9 3.957 13.340 -2.946 1.00 0.00 C ATOM 80 O ILE A 9 3.078 12.483 -2.847 1.00 0.00 O ATOM 81 CB ILE A 9 3.750 15.825 -3.073 1.00 0.00 C ATOM 82 CG1 ILE A 9 3.354 17.077 -2.289 1.00 0.00 C ATOM 83 CG2 ILE A 9 2.724 15.522 -4.154 1.00 0.00 C ATOM 84 CD1 ILE A 9 2.683 18.134 -3.139 1.00 0.00 C ATOM 0 H ILE A 9 5.935 14.964 -1.772 1.00 0.00 H new ATOM 0 HA ILE A 9 3.030 14.586 -1.461 1.00 0.00 H new ATOM 0 HB ILE A 9 4.711 16.010 -3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.682 16.792 -1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.244 17.504 -1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.631 16.381 -4.819 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.046 14.653 -4.727 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.759 15.315 -3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.430 18.993 -2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.361 18.447 -3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.774 17.724 -3.579 1.00 0.00 H new ATOM 96 N LEU A 10 5.000 13.215 -3.759 1.00 0.00 N ATOM 97 CA LEU A 10 5.178 12.037 -4.600 1.00 0.00 C ATOM 98 C LEU A 10 5.357 10.783 -3.749 1.00 0.00 C ATOM 99 O LEU A 10 4.883 9.704 -4.107 1.00 0.00 O ATOM 100 CB LEU A 10 6.387 12.220 -5.519 1.00 0.00 C ATOM 101 CG LEU A 10 6.207 13.205 -6.676 1.00 0.00 C ATOM 102 CD1 LEU A 10 6.522 14.622 -6.224 1.00 0.00 C ATOM 103 CD2 LEU A 10 7.086 12.810 -7.853 1.00 0.00 C ATOM 0 H LEU A 10 5.735 13.915 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 10 4.282 11.916 -5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.231 12.551 -4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.654 11.248 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 10 5.166 13.172 -6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.389 15.309 -7.060 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.850 14.903 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.553 14.672 -5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.945 13.521 -8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.131 12.814 -7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.812 11.811 -8.193 1.00 0.00 H new ATOM 115 N LYS A 11 6.043 10.933 -2.622 1.00 0.00 N ATOM 116 CA LYS A 11 6.282 9.814 -1.717 1.00 0.00 C ATOM 117 C LYS A 11 4.980 9.088 -1.392 1.00 0.00 C ATOM 118 O LYS A 11 4.923 7.858 -1.409 1.00 0.00 O ATOM 119 CB LYS A 11 6.939 10.307 -0.426 1.00 0.00 C ATOM 120 CG LYS A 11 8.410 10.650 -0.585 1.00 0.00 C ATOM 121 CD LYS A 11 8.950 11.371 0.638 1.00 0.00 C ATOM 122 CE LYS A 11 9.484 10.391 1.673 1.00 0.00 C ATOM 123 NZ LYS A 11 10.112 11.090 2.828 1.00 0.00 N ATOM 0 H LYS A 11 6.444 11.818 -2.313 1.00 0.00 H new ATOM 0 HA LYS A 11 6.953 9.114 -2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.405 11.188 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.834 9.540 0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.981 9.737 -0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.545 11.276 -1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.745 12.054 0.338 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.160 11.977 1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.670 9.760 2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.216 9.732 1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.463 10.388 3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.905 11.672 2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.407 11.699 3.290 1.00 0.00 H new ATOM 137 N ILE A 12 3.937 9.858 -1.099 1.00 0.00 N ATOM 138 CA ILE A 12 2.635 9.287 -0.772 1.00 0.00 C ATOM 139 C ILE A 12 1.937 8.762 -2.022 1.00 0.00 C ATOM 140 O ILE A 12 1.189 7.787 -1.962 1.00 0.00 O ATOM 141 CB ILE A 12 1.725 10.321 -0.085 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.442 10.952 1.110 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.422 9.669 0.357 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.555 11.849 1.944 1.00 0.00 C ATOM 0 H ILE A 12 3.968 10.877 -1.081 1.00 0.00 H new ATOM 0 HA ILE A 12 2.815 8.460 -0.085 1.00 0.00 H new ATOM 0 HB ILE A 12 1.491 11.109 -0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.841 10.160 1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.292 11.530 0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.211 10.413 0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.095 9.263 -0.513 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.638 8.864 1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.131 12.261 2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.176 12.663 1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.718 11.271 2.335 1.00 0.00 H new ATOM 156 N GLU A 13 2.190 9.415 -3.152 1.00 0.00 N ATOM 157 CA GLU A 13 1.585 9.011 -4.416 1.00 0.00 C ATOM 158 C GLU A 13 1.961 7.574 -4.766 1.00 0.00 C ATOM 159 O GLU A 13 1.094 6.717 -4.937 1.00 0.00 O ATOM 160 CB GLU A 13 2.023 9.953 -5.540 1.00 0.00 C ATOM 161 CG GLU A 13 1.105 11.148 -5.726 1.00 0.00 C ATOM 162 CD GLU A 13 -0.152 10.804 -6.501 1.00 0.00 C ATOM 163 OE1 GLU A 13 -1.139 10.372 -5.871 1.00 0.00 O ATOM 164 OE2 GLU A 13 -0.147 10.968 -7.739 1.00 0.00 O ATOM 0 H GLU A 13 2.808 10.224 -3.218 1.00 0.00 H new ATOM 0 HA GLU A 13 0.502 9.067 -4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.032 10.310 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.070 9.393 -6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.828 11.544 -4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.645 11.938 -6.249 1.00 0.00 H new ATOM 171 N LYS A 14 3.261 7.318 -4.871 1.00 0.00 N ATOM 172 CA LYS A 14 3.755 5.986 -5.199 1.00 0.00 C ATOM 173 C LYS A 14 3.158 4.939 -4.265 1.00 0.00 C ATOM 174 O LYS A 14 2.706 3.882 -4.708 1.00 0.00 O ATOM 175 CB LYS A 14 5.282 5.950 -5.112 1.00 0.00 C ATOM 176 CG LYS A 14 5.972 6.778 -6.183 1.00 0.00 C ATOM 177 CD LYS A 14 7.320 7.292 -5.708 1.00 0.00 C ATOM 178 CE LYS A 14 8.214 7.676 -6.876 1.00 0.00 C ATOM 179 NZ LYS A 14 9.393 8.473 -6.436 1.00 0.00 N ATOM 0 H LYS A 14 3.992 8.016 -4.734 1.00 0.00 H new ATOM 0 HA LYS A 14 3.450 5.754 -6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.590 6.311 -4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.618 4.916 -5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.108 6.174 -7.080 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.337 7.620 -6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.173 8.157 -5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.812 6.526 -5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.555 6.774 -7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.637 8.251 -7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.977 8.714 -7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.069 9.347 -5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.958 7.915 -5.764 1.00 0.00 H new ATOM 193 N VAL A 15 3.157 5.239 -2.970 1.00 0.00 N ATOM 194 CA VAL A 15 2.613 4.324 -1.974 1.00 0.00 C ATOM 195 C VAL A 15 1.261 3.774 -2.414 1.00 0.00 C ATOM 196 O VAL A 15 0.876 2.667 -2.034 1.00 0.00 O ATOM 197 CB VAL A 15 2.453 5.015 -0.606 1.00 0.00 C ATOM 198 CG1 VAL A 15 1.939 4.030 0.433 1.00 0.00 C ATOM 199 CG2 VAL A 15 3.772 5.629 -0.163 1.00 0.00 C ATOM 0 H VAL A 15 3.527 6.109 -2.586 1.00 0.00 H new ATOM 0 HA VAL A 15 3.322 3.502 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 15 1.720 5.816 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.832 4.536 1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.971 3.641 0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.645 3.206 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.641 6.113 0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.527 4.847 -0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.094 6.367 -0.897 1.00 0.00 H new ATOM 209 N LEU A 16 0.544 4.553 -3.216 1.00 0.00 N ATOM 210 CA LEU A 16 -0.767 4.143 -3.709 1.00 0.00 C ATOM 211 C LEU A 16 -0.670 3.612 -5.135 1.00 0.00 C ATOM 212 O LEU A 16 -1.084 2.489 -5.421 1.00 0.00 O ATOM 213 CB LEU A 16 -1.744 5.319 -3.656 1.00 0.00 C ATOM 214 CG LEU A 16 -2.232 5.723 -2.264 1.00 0.00 C ATOM 215 CD1 LEU A 16 -2.978 7.047 -2.325 1.00 0.00 C ATOM 216 CD2 LEU A 16 -3.117 4.636 -1.673 1.00 0.00 C ATOM 0 H LEU A 16 0.848 5.472 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.136 3.343 -3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.266 6.184 -4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.613 5.072 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.364 5.848 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.318 7.319 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.313 7.822 -2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.838 6.950 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.455 4.941 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.981 4.479 -2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.550 3.708 -1.594 1.00 0.00 H new ATOM 228 N LYS A 17 -0.117 4.426 -6.028 1.00 0.00 N ATOM 229 CA LYS A 17 0.038 4.039 -7.425 1.00 0.00 C ATOM 230 C LYS A 17 0.369 2.554 -7.544 1.00 0.00 C ATOM 231 O LYS A 17 -0.411 1.777 -8.096 1.00 0.00 O ATOM 232 CB LYS A 17 1.138 4.872 -8.088 1.00 0.00 C ATOM 233 CG LYS A 17 0.962 5.029 -9.588 1.00 0.00 C ATOM 234 CD LYS A 17 1.540 3.844 -10.344 1.00 0.00 C ATOM 235 CE LYS A 17 3.057 3.917 -10.420 1.00 0.00 C ATOM 236 NZ LYS A 17 3.645 2.676 -10.993 1.00 0.00 N ATOM 0 H LYS A 17 0.232 5.359 -5.808 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.907 4.225 -7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.161 5.860 -7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.104 4.406 -7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.098 5.130 -9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.450 5.946 -9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.244 2.918 -9.852 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.125 3.817 -11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.349 4.772 -11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.463 4.084 -9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.680 2.766 -11.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.388 1.863 -10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.278 2.530 -11.955 1.00 0.00 H new ATOM 250 N ARG A 18 1.528 2.166 -7.022 1.00 0.00 N ATOM 251 CA ARG A 18 1.960 0.775 -7.070 1.00 0.00 C ATOM 252 C ARG A 18 0.930 -0.137 -6.410 1.00 0.00 C ATOM 253 O ARG A 18 0.506 -1.134 -6.993 1.00 0.00 O ATOM 254 CB ARG A 18 3.316 0.616 -6.379 1.00 0.00 C ATOM 255 CG ARG A 18 3.996 -0.711 -6.669 1.00 0.00 C ATOM 256 CD ARG A 18 4.606 -0.732 -8.062 1.00 0.00 C ATOM 257 NE ARG A 18 5.435 -1.915 -8.278 1.00 0.00 N ATOM 258 CZ ARG A 18 5.833 -2.323 -9.478 1.00 0.00 C ATOM 259 NH1 ARG A 18 5.479 -1.649 -10.563 1.00 0.00 N ATOM 260 NH2 ARG A 18 6.587 -3.410 -9.594 1.00 0.00 N ATOM 0 H ARG A 18 2.185 2.796 -6.561 1.00 0.00 H new ATOM 0 HA ARG A 18 2.057 0.486 -8.117 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.972 1.427 -6.694 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.179 0.717 -5.302 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.774 -0.892 -5.927 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.272 -1.520 -6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.810 -0.706 -8.807 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.209 0.165 -8.208 1.00 0.00 H new ATOM 0 HE ARG A 18 5.724 -2.457 -7.464 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.899 -0.814 -10.478 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.786 -1.965 -11.483 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.861 -3.932 -8.762 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.892 -3.723 -10.516 1.00 0.00 H new ATOM 274 N MET A 19 0.535 0.210 -5.189 1.00 0.00 N ATOM 275 CA MET A 19 -0.445 -0.578 -4.451 1.00 0.00 C ATOM 276 C MET A 19 -1.569 -1.046 -5.369 1.00 0.00 C ATOM 277 O MET A 19 -1.911 -2.228 -5.392 1.00 0.00 O ATOM 278 CB MET A 19 -1.023 0.243 -3.295 1.00 0.00 C ATOM 279 CG MET A 19 -2.080 -0.499 -2.493 1.00 0.00 C ATOM 280 SD MET A 19 -3.701 -0.468 -3.283 1.00 0.00 S ATOM 281 CE MET A 19 -4.114 1.269 -3.137 1.00 0.00 C ATOM 0 H MET A 19 0.878 1.031 -4.690 1.00 0.00 H new ATOM 0 HA MET A 19 0.060 -1.456 -4.048 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.213 0.537 -2.628 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.458 1.160 -3.693 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.767 -1.534 -2.356 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.155 -0.055 -1.500 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.196 1.391 -3.189 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.751 1.650 -2.182 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.646 1.824 -3.950 1.00 0.00 H new ATOM 291 N ARG A 20 -2.139 -0.112 -6.124 1.00 0.00 N ATOM 292 CA ARG A 20 -3.226 -0.431 -7.042 1.00 0.00 C ATOM 293 C ARG A 20 -2.831 -1.572 -7.976 1.00 0.00 C ATOM 294 O ARG A 20 -3.504 -2.600 -8.033 1.00 0.00 O ATOM 295 CB ARG A 20 -3.608 0.804 -7.860 1.00 0.00 C ATOM 296 CG ARG A 20 -4.587 1.725 -7.151 1.00 0.00 C ATOM 297 CD ARG A 20 -5.986 1.128 -7.111 1.00 0.00 C ATOM 298 NE ARG A 20 -6.770 1.496 -8.287 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.416 2.650 -8.409 1.00 0.00 C ATOM 300 NH1 ARG A 20 -7.368 3.546 -7.432 1.00 0.00 N ATOM 301 NH2 ARG A 20 -8.109 2.911 -9.509 1.00 0.00 N ATOM 0 H ARG A 20 -1.866 0.871 -6.118 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.086 -0.749 -6.453 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.704 1.364 -8.100 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.044 0.482 -8.806 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.241 1.912 -6.134 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.616 2.688 -7.660 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.915 0.042 -7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.500 1.467 -6.212 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.824 0.830 -9.057 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.834 3.349 -6.585 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.865 4.432 -7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.146 2.225 -10.263 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.605 3.798 -9.601 1.00 0.00 H new ATOM 315 N GLU A 21 -1.737 -1.379 -8.706 1.00 0.00 N ATOM 316 CA GLU A 21 -1.255 -2.392 -9.639 1.00 0.00 C ATOM 317 C GLU A 21 -1.175 -3.759 -8.964 1.00 0.00 C ATOM 318 O GLU A 21 -1.900 -4.685 -9.330 1.00 0.00 O ATOM 319 CB GLU A 21 0.120 -2.000 -10.185 1.00 0.00 C ATOM 320 CG GLU A 21 0.055 -1.126 -11.426 1.00 0.00 C ATOM 321 CD GLU A 21 -0.134 -1.929 -12.698 1.00 0.00 C ATOM 322 OE1 GLU A 21 0.813 -2.638 -13.099 1.00 0.00 O ATOM 323 OE2 GLU A 21 -1.230 -1.850 -13.291 1.00 0.00 O ATOM 0 H GLU A 21 -1.169 -0.533 -8.670 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.963 -2.455 -10.466 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.673 -1.473 -9.408 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.681 -2.905 -10.417 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.766 -0.417 -11.323 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.972 -0.542 -11.503 1.00 0.00 H new ATOM 330 N ILE A 22 -0.291 -3.875 -7.980 1.00 0.00 N ATOM 331 CA ILE A 22 -0.117 -5.128 -7.255 1.00 0.00 C ATOM 332 C ILE A 22 -1.445 -5.860 -7.095 1.00 0.00 C ATOM 333 O ILE A 22 -1.585 -7.014 -7.501 1.00 0.00 O ATOM 334 CB ILE A 22 0.497 -4.892 -5.862 1.00 0.00 C ATOM 335 CG1 ILE A 22 1.887 -4.266 -5.993 1.00 0.00 C ATOM 336 CG2 ILE A 22 0.569 -6.199 -5.086 1.00 0.00 C ATOM 337 CD1 ILE A 22 2.537 -3.956 -4.663 1.00 0.00 C ATOM 0 H ILE A 22 0.316 -3.118 -7.666 1.00 0.00 H new ATOM 0 HA ILE A 22 0.564 -5.741 -7.845 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.142 -4.201 -5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.531 -4.944 -6.554 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.810 -3.347 -6.574 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.005 -6.016 -4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.435 -6.607 -4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.188 -6.912 -5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.519 -3.515 -4.832 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.914 -3.254 -4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.647 -4.876 -4.088 1.00 0.00 H new ATOM 349 N LYS A 23 -2.421 -5.180 -6.502 1.00 0.00 N ATOM 350 CA LYS A 23 -3.741 -5.763 -6.291 1.00 0.00 C ATOM 351 C LYS A 23 -4.267 -6.398 -7.575 1.00 0.00 C ATOM 352 O LYS A 23 -4.651 -7.567 -7.588 1.00 0.00 O ATOM 353 CB LYS A 23 -4.720 -4.695 -5.799 1.00 0.00 C ATOM 354 CG LYS A 23 -6.098 -5.239 -5.467 1.00 0.00 C ATOM 355 CD LYS A 23 -6.879 -4.279 -4.586 1.00 0.00 C ATOM 356 CE LYS A 23 -7.564 -3.199 -5.409 1.00 0.00 C ATOM 357 NZ LYS A 23 -8.171 -2.146 -4.547 1.00 0.00 N ATOM 0 H LYS A 23 -2.323 -4.224 -6.159 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.650 -6.541 -5.533 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.305 -4.215 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.818 -3.924 -6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.651 -5.420 -6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.999 -6.200 -4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.626 -4.832 -4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.206 -3.816 -3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.840 -2.743 -6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.338 -3.651 -6.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.628 -1.428 -5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.880 -2.577 -3.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.429 -1.697 -3.973 1.00 0.00 H new ATOM 371 N ASN A 24 -4.280 -5.619 -8.652 1.00 0.00 N ATOM 372 CA ASN A 24 -4.760 -6.106 -9.941 1.00 0.00 C ATOM 373 C ASN A 24 -4.074 -7.416 -10.315 1.00 0.00 C ATOM 374 O ASN A 24 -4.718 -8.351 -10.791 1.00 0.00 O ATOM 375 CB ASN A 24 -4.512 -5.060 -11.028 1.00 0.00 C ATOM 376 CG ASN A 24 -4.948 -5.537 -12.400 1.00 0.00 C ATOM 377 OD1 ASN A 24 -4.118 -5.894 -13.238 1.00 0.00 O ATOM 378 ND2 ASN A 24 -6.254 -5.547 -12.636 1.00 0.00 N ATOM 0 H ASN A 24 -3.964 -4.649 -8.658 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.832 -6.287 -9.858 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.049 -4.145 -10.777 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.451 -4.811 -11.053 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.606 -5.859 -13.541 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.905 -5.243 -11.912 1.00 0.00 H new ATOM 385 N GLU A 25 -2.764 -7.476 -10.097 1.00 0.00 N ATOM 386 CA GLU A 25 -1.991 -8.672 -10.412 1.00 0.00 C ATOM 387 C GLU A 25 -2.458 -9.858 -9.574 1.00 0.00 C ATOM 388 O GLU A 25 -2.700 -10.947 -10.097 1.00 0.00 O ATOM 389 CB GLU A 25 -0.501 -8.421 -10.175 1.00 0.00 C ATOM 390 CG GLU A 25 0.405 -9.404 -10.898 1.00 0.00 C ATOM 391 CD GLU A 25 0.450 -9.163 -12.395 1.00 0.00 C ATOM 392 OE1 GLU A 25 0.643 -7.998 -12.802 1.00 0.00 O ATOM 393 OE2 GLU A 25 0.292 -10.139 -13.158 1.00 0.00 O ATOM 0 H GLU A 25 -2.216 -6.711 -9.704 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.149 -8.908 -11.464 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.256 -7.409 -10.498 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.298 -8.472 -9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.414 -9.330 -10.491 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.058 -10.420 -10.707 1.00 0.00 H new ATOM 400 N LEU A 26 -2.582 -9.641 -8.269 1.00 0.00 N ATOM 401 CA LEU A 26 -3.020 -10.691 -7.356 1.00 0.00 C ATOM 402 C LEU A 26 -4.434 -11.152 -7.693 1.00 0.00 C ATOM 403 O LEU A 26 -4.770 -12.326 -7.535 1.00 0.00 O ATOM 404 CB LEU A 26 -2.964 -10.193 -5.911 1.00 0.00 C ATOM 405 CG LEU A 26 -3.898 -10.893 -4.923 1.00 0.00 C ATOM 406 CD1 LEU A 26 -3.399 -12.298 -4.619 1.00 0.00 C ATOM 407 CD2 LEU A 26 -4.025 -10.081 -3.642 1.00 0.00 C ATOM 0 H LEU A 26 -2.385 -8.747 -7.819 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.346 -11.540 -7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.941 -10.299 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.195 -9.128 -5.906 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.885 -10.971 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.076 -12.780 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.361 -12.878 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.401 -12.243 -4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.693 -10.594 -2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.043 -9.970 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.430 -9.096 -3.874 1.00 0.00 H new ATOM 419 N LEU A 27 -5.258 -10.220 -8.161 1.00 0.00 N ATOM 420 CA LEU A 27 -6.636 -10.531 -8.522 1.00 0.00 C ATOM 421 C LEU A 27 -6.688 -11.402 -9.773 1.00 0.00 C ATOM 422 O LEU A 27 -7.399 -12.405 -9.812 1.00 0.00 O ATOM 423 CB LEU A 27 -7.427 -9.241 -8.754 1.00 0.00 C ATOM 424 CG LEU A 27 -7.718 -8.401 -7.509 1.00 0.00 C ATOM 425 CD1 LEU A 27 -8.557 -7.185 -7.871 1.00 0.00 C ATOM 426 CD2 LEU A 27 -8.421 -9.241 -6.452 1.00 0.00 C ATOM 0 H LEU A 27 -4.995 -9.244 -8.299 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.085 -11.084 -7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.877 -8.624 -9.464 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.376 -9.499 -9.224 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.770 -8.054 -7.097 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.754 -6.599 -6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.017 -6.572 -8.593 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.502 -7.511 -8.306 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.620 -8.628 -5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.362 -9.617 -6.853 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.785 -10.080 -6.172 1.00 0.00 H new ATOM 438 N GLN A 28 -5.927 -11.013 -10.792 1.00 0.00 N ATOM 439 CA GLN A 28 -5.885 -11.760 -12.043 1.00 0.00 C ATOM 440 C GLN A 28 -4.579 -12.535 -12.170 1.00 0.00 C ATOM 441 O GLN A 28 -3.983 -12.596 -13.246 1.00 0.00 O ATOM 442 CB GLN A 28 -6.048 -10.813 -13.233 1.00 0.00 C ATOM 443 CG GLN A 28 -7.434 -10.198 -13.335 1.00 0.00 C ATOM 444 CD GLN A 28 -8.390 -11.046 -14.151 1.00 0.00 C ATOM 445 OE1 GLN A 28 -8.728 -12.166 -13.766 1.00 0.00 O ATOM 446 NE2 GLN A 28 -8.834 -10.515 -15.284 1.00 0.00 N ATOM 0 H GLN A 28 -5.332 -10.185 -10.775 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.710 -12.472 -12.039 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.310 -10.015 -13.155 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.833 -11.358 -14.152 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.841 -10.060 -12.333 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.356 -9.209 -13.786 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.528 -9.583 -15.565 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.481 -11.039 -15.873 1.00 0.00 H new ATOM 455 N ALA A 29 -4.137 -13.128 -11.065 1.00 0.00 N ATOM 456 CA ALA A 29 -2.901 -13.901 -11.054 1.00 0.00 C ATOM 457 C ALA A 29 -3.182 -15.388 -11.238 1.00 0.00 C ATOM 458 O ALA A 29 -4.206 -15.896 -10.783 1.00 0.00 O ATOM 459 CB ALA A 29 -2.141 -13.661 -9.758 1.00 0.00 C ATOM 0 H ALA A 29 -4.617 -13.088 -10.166 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.286 -13.569 -11.890 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.220 -14.244 -9.763 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.899 -12.602 -9.669 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.758 -13.965 -8.913 1.00 0.00 H new ATOM 465 N GLN A 30 -2.267 -16.079 -11.911 1.00 0.00 N ATOM 466 CA GLN A 30 -2.418 -17.508 -12.156 1.00 0.00 C ATOM 467 C GLN A 30 -2.065 -18.315 -10.911 1.00 0.00 C ATOM 468 O GLN A 30 -2.822 -19.192 -10.493 1.00 0.00 O ATOM 469 CB GLN A 30 -1.534 -17.942 -13.326 1.00 0.00 C ATOM 470 CG GLN A 30 -2.023 -19.202 -14.023 1.00 0.00 C ATOM 471 CD GLN A 30 -1.764 -20.456 -13.211 1.00 0.00 C ATOM 472 OE1 GLN A 30 -0.619 -20.877 -13.045 1.00 0.00 O ATOM 473 NE2 GLN A 30 -2.830 -21.060 -12.700 1.00 0.00 N ATOM 0 H GLN A 30 -1.414 -15.672 -12.296 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.461 -17.699 -12.407 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.483 -17.131 -14.053 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.520 -18.108 -12.962 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.092 -19.114 -14.217 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.530 -19.292 -14.991 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.761 -20.676 -12.863 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.718 -21.908 -12.144 1.00 0.00 H new ATOM 482 N ASN A 31 -0.913 -18.013 -10.323 1.00 0.00 N ATOM 483 CA ASN A 31 -0.460 -18.711 -9.125 1.00 0.00 C ATOM 484 C ASN A 31 -0.398 -17.761 -7.932 1.00 0.00 C ATOM 485 O ASN A 31 0.675 -17.404 -7.446 1.00 0.00 O ATOM 486 CB ASN A 31 0.915 -19.337 -9.363 1.00 0.00 C ATOM 487 CG ASN A 31 1.840 -18.421 -10.141 1.00 0.00 C ATOM 488 OD1 ASN A 31 2.486 -17.542 -9.570 1.00 0.00 O ATOM 489 ND2 ASN A 31 1.909 -18.624 -11.452 1.00 0.00 N ATOM 0 H ASN A 31 -0.276 -17.290 -10.656 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.178 -19.500 -8.902 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.372 -19.580 -8.404 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.795 -20.275 -9.906 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.515 -18.039 -12.027 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.356 -19.364 -11.883 1.00 0.00 H new ATOM 496 N PRO A 32 -1.578 -17.342 -7.448 1.00 0.00 N ATOM 497 CA PRO A 32 -1.684 -16.429 -6.306 1.00 0.00 C ATOM 498 C PRO A 32 -1.270 -17.090 -4.995 1.00 0.00 C ATOM 499 O PRO A 32 -1.128 -16.423 -3.971 1.00 0.00 O ATOM 500 CB PRO A 32 -3.173 -16.072 -6.277 1.00 0.00 C ATOM 501 CG PRO A 32 -3.853 -17.223 -6.933 1.00 0.00 C ATOM 502 CD PRO A 32 -2.896 -17.728 -7.977 1.00 0.00 C ATOM 0 HA PRO A 32 -1.025 -15.567 -6.410 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.527 -15.934 -5.255 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.367 -15.141 -6.810 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.087 -18.003 -6.208 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.796 -16.914 -7.384 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.976 -18.807 -8.107 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.087 -17.275 -8.950 1.00 0.00 H new ATOM 510 N SER A 33 -1.077 -18.405 -5.035 1.00 0.00 N ATOM 511 CA SER A 33 -0.681 -19.156 -3.849 1.00 0.00 C ATOM 512 C SER A 33 0.719 -18.757 -3.395 1.00 0.00 C ATOM 513 O SER A 33 1.018 -18.754 -2.201 1.00 0.00 O ATOM 514 CB SER A 33 -0.728 -20.658 -4.133 1.00 0.00 C ATOM 515 OG SER A 33 0.027 -20.984 -5.286 1.00 0.00 O ATOM 0 H SER A 33 -1.188 -18.972 -5.876 1.00 0.00 H new ATOM 0 HA SER A 33 -1.384 -18.921 -3.049 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.340 -21.206 -3.274 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.762 -20.973 -4.271 1.00 0.00 H new ATOM 0 HG SER A 33 -0.018 -21.950 -5.444 1.00 0.00 H new ATOM 521 N GLU A 34 1.572 -18.419 -4.357 1.00 0.00 N ATOM 522 CA GLU A 34 2.941 -18.018 -4.056 1.00 0.00 C ATOM 523 C GLU A 34 3.065 -16.499 -4.005 1.00 0.00 C ATOM 524 O GLU A 34 4.128 -15.961 -3.693 1.00 0.00 O ATOM 525 CB GLU A 34 3.905 -18.585 -5.103 1.00 0.00 C ATOM 526 CG GLU A 34 3.768 -17.934 -6.469 1.00 0.00 C ATOM 527 CD GLU A 34 4.736 -18.508 -7.487 1.00 0.00 C ATOM 528 OE1 GLU A 34 5.084 -19.701 -7.368 1.00 0.00 O ATOM 529 OE2 GLU A 34 5.144 -17.762 -8.402 1.00 0.00 O ATOM 0 H GLU A 34 1.339 -18.415 -5.350 1.00 0.00 H new ATOM 0 HA GLU A 34 3.202 -18.419 -3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.928 -18.458 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.733 -19.657 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.748 -18.065 -6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.938 -16.861 -6.375 1.00 0.00 H new ATOM 536 N LEU A 35 1.972 -15.811 -4.316 1.00 0.00 N ATOM 537 CA LEU A 35 1.956 -14.353 -4.306 1.00 0.00 C ATOM 538 C LEU A 35 1.584 -13.821 -2.926 1.00 0.00 C ATOM 539 O LEU A 35 1.952 -12.705 -2.559 1.00 0.00 O ATOM 540 CB LEU A 35 0.969 -13.827 -5.351 1.00 0.00 C ATOM 541 CG LEU A 35 1.387 -13.995 -6.813 1.00 0.00 C ATOM 542 CD1 LEU A 35 0.193 -13.801 -7.734 1.00 0.00 C ATOM 543 CD2 LEU A 35 2.500 -13.020 -7.165 1.00 0.00 C ATOM 0 H LEU A 35 1.085 -16.240 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 35 2.958 -14.002 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.014 -14.332 -5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.801 -12.767 -5.162 1.00 0.00 H new ATOM 0 HG LEU A 35 1.764 -15.009 -6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.509 -13.924 -8.770 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.573 -14.540 -7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.214 -12.800 -7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.784 -13.154 -8.209 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.151 -11.999 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.363 -13.208 -6.527 1.00 0.00 H new ATOM 555 N TYR A 36 0.854 -14.628 -2.164 1.00 0.00 N ATOM 556 CA TYR A 36 0.432 -14.239 -0.824 1.00 0.00 C ATOM 557 C TYR A 36 1.627 -13.801 0.018 1.00 0.00 C ATOM 558 O TYR A 36 1.524 -12.883 0.833 1.00 0.00 O ATOM 559 CB TYR A 36 -0.292 -15.398 -0.137 1.00 0.00 C ATOM 560 CG TYR A 36 -1.668 -15.671 -0.700 1.00 0.00 C ATOM 561 CD1 TYR A 36 -2.588 -14.642 -0.869 1.00 0.00 C ATOM 562 CD2 TYR A 36 -2.050 -16.957 -1.064 1.00 0.00 C ATOM 563 CE1 TYR A 36 -3.847 -14.888 -1.382 1.00 0.00 C ATOM 564 CE2 TYR A 36 -3.305 -17.210 -1.579 1.00 0.00 C ATOM 565 CZ TYR A 36 -4.201 -16.173 -1.736 1.00 0.00 C ATOM 566 OH TYR A 36 -5.453 -16.420 -2.249 1.00 0.00 O ATOM 0 H TYR A 36 0.542 -15.556 -2.452 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.253 -13.396 -0.917 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.314 -16.299 -0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.381 -15.180 0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.314 -13.634 -0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.352 -17.772 -0.942 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.551 -14.078 -1.505 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.584 -18.215 -1.858 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.542 -17.375 -2.448 1.00 0.00 H new ATOM 576 N LEU A 37 2.760 -14.463 -0.186 1.00 0.00 N ATOM 577 CA LEU A 37 3.977 -14.143 0.552 1.00 0.00 C ATOM 578 C LEU A 37 4.806 -13.100 -0.189 1.00 0.00 C ATOM 579 O LEU A 37 5.420 -12.228 0.426 1.00 0.00 O ATOM 580 CB LEU A 37 4.809 -15.407 0.776 1.00 0.00 C ATOM 581 CG LEU A 37 5.658 -15.869 -0.408 1.00 0.00 C ATOM 582 CD1 LEU A 37 7.016 -15.182 -0.392 1.00 0.00 C ATOM 583 CD2 LEU A 37 5.824 -17.382 -0.388 1.00 0.00 C ATOM 0 H LEU A 37 2.862 -15.225 -0.856 1.00 0.00 H new ATOM 0 HA LEU A 37 3.687 -13.730 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.469 -15.237 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.135 -16.218 1.052 1.00 0.00 H new ATOM 0 HG LEU A 37 5.144 -15.592 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.606 -15.523 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.878 -14.103 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.537 -15.427 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.431 -17.693 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.315 -17.682 0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.845 -17.856 -0.449 1.00 0.00 H new ATOM 595 N SER A 38 4.816 -13.193 -1.515 1.00 0.00 N ATOM 596 CA SER A 38 5.571 -12.258 -2.341 1.00 0.00 C ATOM 597 C SER A 38 4.974 -10.855 -2.259 1.00 0.00 C ATOM 598 O SER A 38 5.586 -9.941 -1.706 1.00 0.00 O ATOM 599 CB SER A 38 5.590 -12.731 -3.796 1.00 0.00 C ATOM 600 OG SER A 38 6.660 -12.137 -4.512 1.00 0.00 O ATOM 0 H SER A 38 4.310 -13.906 -2.040 1.00 0.00 H new ATOM 0 HA SER A 38 6.593 -12.222 -1.964 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.685 -13.816 -3.828 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.644 -12.480 -4.276 1.00 0.00 H new ATOM 0 HG SER A 38 6.651 -12.457 -5.438 1.00 0.00 H new ATOM 606 N SER A 39 3.776 -10.696 -2.811 1.00 0.00 N ATOM 607 CA SER A 39 3.098 -9.405 -2.803 1.00 0.00 C ATOM 608 C SER A 39 3.219 -8.736 -1.439 1.00 0.00 C ATOM 609 O SER A 39 3.769 -7.640 -1.317 1.00 0.00 O ATOM 610 CB SER A 39 1.623 -9.579 -3.170 1.00 0.00 C ATOM 611 OG SER A 39 1.480 -10.140 -4.463 1.00 0.00 O ATOM 0 H SER A 39 3.255 -11.444 -3.269 1.00 0.00 H new ATOM 0 HA SER A 39 3.577 -8.766 -3.544 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.136 -10.221 -2.436 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.120 -8.613 -3.132 1.00 0.00 H new ATOM 0 HG SER A 39 0.528 -10.242 -4.672 1.00 0.00 H new ATOM 617 N LYS A 40 2.702 -9.402 -0.411 1.00 0.00 N ATOM 618 CA LYS A 40 2.752 -8.874 0.947 1.00 0.00 C ATOM 619 C LYS A 40 4.093 -8.199 1.219 1.00 0.00 C ATOM 620 O LYS A 40 4.147 -7.018 1.565 1.00 0.00 O ATOM 621 CB LYS A 40 2.519 -9.996 1.961 1.00 0.00 C ATOM 622 CG LYS A 40 1.872 -9.525 3.252 1.00 0.00 C ATOM 623 CD LYS A 40 1.296 -10.688 4.043 1.00 0.00 C ATOM 624 CE LYS A 40 2.325 -11.276 4.997 1.00 0.00 C ATOM 625 NZ LYS A 40 3.177 -12.299 4.330 1.00 0.00 N ATOM 0 H LYS A 40 2.243 -10.309 -0.493 1.00 0.00 H new ATOM 0 HA LYS A 40 1.963 -8.129 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.888 -10.760 1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.474 -10.468 2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.609 -9.000 3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.080 -8.811 3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.426 -10.351 4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.951 -11.461 3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.955 -10.478 5.389 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.815 -11.727 5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.577 -12.938 5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.601 -12.847 3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.949 -11.827 3.817 1.00 0.00 H new ATOM 639 N THR A 41 5.175 -8.955 1.059 1.00 0.00 N ATOM 640 CA THR A 41 6.515 -8.430 1.288 1.00 0.00 C ATOM 641 C THR A 41 6.698 -7.076 0.610 1.00 0.00 C ATOM 642 O THR A 41 7.194 -6.130 1.220 1.00 0.00 O ATOM 643 CB THR A 41 7.594 -9.400 0.770 1.00 0.00 C ATOM 644 OG1 THR A 41 7.432 -10.684 1.382 1.00 0.00 O ATOM 645 CG2 THR A 41 8.987 -8.865 1.064 1.00 0.00 C ATOM 0 H THR A 41 5.149 -9.933 0.772 1.00 0.00 H new ATOM 0 HA THR A 41 6.629 -8.313 2.366 1.00 0.00 H new ATOM 0 HB THR A 41 7.479 -9.495 -0.310 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.701 -11.166 0.942 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.733 -9.566 0.689 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.117 -7.900 0.573 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.111 -8.744 2.140 1.00 0.00 H new ATOM 653 N GLU A 42 6.292 -6.992 -0.652 1.00 0.00 N ATOM 654 CA GLU A 42 6.412 -5.754 -1.412 1.00 0.00 C ATOM 655 C GLU A 42 5.548 -4.654 -0.800 1.00 0.00 C ATOM 656 O GLU A 42 5.998 -3.522 -0.620 1.00 0.00 O ATOM 657 CB GLU A 42 6.010 -5.981 -2.871 1.00 0.00 C ATOM 658 CG GLU A 42 6.146 -4.743 -3.741 1.00 0.00 C ATOM 659 CD GLU A 42 7.588 -4.426 -4.083 1.00 0.00 C ATOM 660 OE1 GLU A 42 8.482 -4.806 -3.299 1.00 0.00 O ATOM 661 OE2 GLU A 42 7.822 -3.797 -5.137 1.00 0.00 O ATOM 0 H GLU A 42 5.877 -7.767 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 42 7.454 -5.437 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.626 -6.777 -3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.977 -6.326 -2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.581 -4.887 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.703 -3.891 -3.226 1.00 0.00 H new ATOM 668 N LEU A 43 4.304 -4.997 -0.484 1.00 0.00 N ATOM 669 CA LEU A 43 3.374 -4.040 0.108 1.00 0.00 C ATOM 670 C LEU A 43 4.039 -3.264 1.240 1.00 0.00 C ATOM 671 O LEU A 43 4.145 -2.040 1.187 1.00 0.00 O ATOM 672 CB LEU A 43 2.132 -4.762 0.629 1.00 0.00 C ATOM 673 CG LEU A 43 1.009 -4.986 -0.386 1.00 0.00 C ATOM 674 CD1 LEU A 43 0.093 -6.110 0.071 1.00 0.00 C ATOM 675 CD2 LEU A 43 0.218 -3.702 -0.597 1.00 0.00 C ATOM 0 H LEU A 43 3.916 -5.929 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 43 3.077 -3.333 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.438 -5.732 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.729 -4.192 1.466 1.00 0.00 H new ATOM 0 HG LEU A 43 1.456 -5.274 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.699 -6.255 -0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.668 -7.030 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.347 -5.852 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.577 -3.879 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.219 -3.384 0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.882 -2.923 -0.970 1.00 0.00 H new ATOM 687 N GLN A 44 4.486 -3.987 2.263 1.00 0.00 N ATOM 688 CA GLN A 44 5.141 -3.366 3.408 1.00 0.00 C ATOM 689 C GLN A 44 6.188 -2.354 2.954 1.00 0.00 C ATOM 690 O GLN A 44 6.366 -1.307 3.576 1.00 0.00 O ATOM 691 CB GLN A 44 5.795 -4.432 4.288 1.00 0.00 C ATOM 692 CG GLN A 44 4.795 -5.295 5.042 1.00 0.00 C ATOM 693 CD GLN A 44 4.334 -6.493 4.237 1.00 0.00 C ATOM 694 OE1 GLN A 44 3.204 -6.531 3.750 1.00 0.00 O ATOM 695 NE2 GLN A 44 5.209 -7.481 4.094 1.00 0.00 N ATOM 0 H GLN A 44 4.406 -5.002 2.322 1.00 0.00 H new ATOM 0 HA GLN A 44 4.382 -2.841 3.988 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.419 -5.073 3.665 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.455 -3.944 5.005 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.247 -5.639 5.972 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.930 -4.690 5.313 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.135 -7.407 4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.955 -8.314 3.563 1.00 0.00 H new ATOM 704 N GLY A 45 6.878 -2.672 1.862 1.00 0.00 N ATOM 705 CA GLY A 45 7.899 -1.782 1.343 1.00 0.00 C ATOM 706 C GLY A 45 7.353 -0.407 1.009 1.00 0.00 C ATOM 707 O GLY A 45 7.922 0.609 1.411 1.00 0.00 O ATOM 0 H GLY A 45 6.747 -3.531 1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.699 -1.684 2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.340 -2.222 0.448 1.00 0.00 H new ATOM 711 N LEU A 46 6.249 -0.374 0.271 1.00 0.00 N ATOM 712 CA LEU A 46 5.627 0.887 -0.118 1.00 0.00 C ATOM 713 C LEU A 46 5.383 1.772 1.099 1.00 0.00 C ATOM 714 O LEU A 46 5.769 2.942 1.116 1.00 0.00 O ATOM 715 CB LEU A 46 4.307 0.624 -0.844 1.00 0.00 C ATOM 716 CG LEU A 46 4.369 -0.356 -2.017 1.00 0.00 C ATOM 717 CD1 LEU A 46 2.982 -0.881 -2.348 1.00 0.00 C ATOM 718 CD2 LEU A 46 4.994 0.311 -3.235 1.00 0.00 C ATOM 0 H LEU A 46 5.766 -1.205 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 46 6.308 1.407 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.586 0.247 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.922 1.575 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 46 4.994 -1.201 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.046 -1.577 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.571 -1.395 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.332 -0.048 -2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.031 -0.400 -4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.394 1.174 -3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.005 0.637 -2.992 1.00 0.00 H new ATOM 730 N ILE A 47 4.742 1.207 2.117 1.00 0.00 N ATOM 731 CA ILE A 47 4.450 1.945 3.340 1.00 0.00 C ATOM 732 C ILE A 47 5.669 2.730 3.813 1.00 0.00 C ATOM 733 O ILE A 47 5.540 3.797 4.410 1.00 0.00 O ATOM 734 CB ILE A 47 3.990 1.004 4.469 1.00 0.00 C ATOM 735 CG1 ILE A 47 2.731 0.244 4.047 1.00 0.00 C ATOM 736 CG2 ILE A 47 3.736 1.792 5.745 1.00 0.00 C ATOM 737 CD1 ILE A 47 2.084 -0.527 5.176 1.00 0.00 C ATOM 0 H ILE A 47 4.415 0.241 2.119 1.00 0.00 H new ATOM 0 HA ILE A 47 3.643 2.639 3.105 1.00 0.00 H new ATOM 0 HB ILE A 47 4.781 0.280 4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.009 0.952 3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.986 -0.448 3.244 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.412 1.113 6.533 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.654 2.293 6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.960 2.536 5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.198 -1.041 4.804 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.790 -1.259 5.568 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.797 0.163 5.970 1.00 0.00 H new ATOM 749 N GLY A 48 6.855 2.192 3.540 1.00 0.00 N ATOM 750 CA GLY A 48 8.080 2.857 3.943 1.00 0.00 C ATOM 751 C GLY A 48 8.151 4.291 3.455 1.00 0.00 C ATOM 752 O GLY A 48 8.637 5.171 4.164 1.00 0.00 O ATOM 0 H GLY A 48 6.988 1.309 3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.156 2.843 5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.935 2.302 3.556 1.00 0.00 H new ATOM 756 N GLN A 49 7.665 4.525 2.240 1.00 0.00 N ATOM 757 CA GLN A 49 7.678 5.861 1.657 1.00 0.00 C ATOM 758 C GLN A 49 6.889 6.839 2.522 1.00 0.00 C ATOM 759 O GLN A 49 7.092 8.051 2.450 1.00 0.00 O ATOM 760 CB GLN A 49 7.098 5.830 0.242 1.00 0.00 C ATOM 761 CG GLN A 49 8.049 5.251 -0.792 1.00 0.00 C ATOM 762 CD GLN A 49 7.542 5.421 -2.211 1.00 0.00 C ATOM 763 OE1 GLN A 49 7.653 6.500 -2.797 1.00 0.00 O ATOM 764 NE2 GLN A 49 6.983 4.356 -2.772 1.00 0.00 N ATOM 0 H GLN A 49 7.258 3.807 1.641 1.00 0.00 H new ATOM 0 HA GLN A 49 8.713 6.199 1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.179 5.243 0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.827 6.844 -0.053 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.021 5.735 -0.697 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.199 4.191 -0.588 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.912 3.483 -2.250 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.624 4.411 -3.725 1.00 0.00 H new ATOM 773 N LEU A 50 5.987 6.305 3.338 1.00 0.00 N ATOM 774 CA LEU A 50 5.166 7.130 4.217 1.00 0.00 C ATOM 775 C LEU A 50 5.876 7.387 5.542 1.00 0.00 C ATOM 776 O LEU A 50 5.237 7.488 6.591 1.00 0.00 O ATOM 777 CB LEU A 50 3.817 6.456 4.470 1.00 0.00 C ATOM 778 CG LEU A 50 2.874 6.372 3.269 1.00 0.00 C ATOM 779 CD1 LEU A 50 1.526 5.806 3.689 1.00 0.00 C ATOM 780 CD2 LEU A 50 2.703 7.740 2.627 1.00 0.00 C ATOM 0 H LEU A 50 5.806 5.304 3.409 1.00 0.00 H new ATOM 0 HA LEU A 50 4.999 8.088 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.001 5.445 4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.308 6.995 5.269 1.00 0.00 H new ATOM 0 HG LEU A 50 3.314 5.701 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.867 5.753 2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.664 4.806 4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.080 6.452 4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.029 7.660 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.285 8.434 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.672 8.107 2.290 1.00 0.00 H new ATOM 792 N ASP A 51 7.199 7.493 5.489 1.00 0.00 N ATOM 793 CA ASP A 51 7.995 7.742 6.685 1.00 0.00 C ATOM 794 C ASP A 51 8.136 9.238 6.943 1.00 0.00 C ATOM 795 O ASP A 51 8.235 10.032 6.008 1.00 0.00 O ATOM 796 CB ASP A 51 9.379 7.103 6.544 1.00 0.00 C ATOM 797 CG ASP A 51 10.334 7.548 7.633 1.00 0.00 C ATOM 798 OD1 ASP A 51 9.896 7.658 8.798 1.00 0.00 O ATOM 799 OD2 ASP A 51 11.521 7.785 7.322 1.00 0.00 O ATOM 0 H ASP A 51 7.743 7.410 4.630 1.00 0.00 H new ATOM 0 HA ASP A 51 7.480 7.293 7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.280 6.018 6.573 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.797 7.359 5.571 1.00 0.00 H new ATOM 804 N GLU A 52 8.144 9.615 8.218 1.00 0.00 N ATOM 805 CA GLU A 52 8.270 11.018 8.598 1.00 0.00 C ATOM 806 C GLU A 52 7.519 11.917 7.620 1.00 0.00 C ATOM 807 O GLU A 52 8.015 12.970 7.220 1.00 0.00 O ATOM 808 CB GLU A 52 9.744 11.424 8.650 1.00 0.00 C ATOM 809 CG GLU A 52 10.495 11.161 7.357 1.00 0.00 C ATOM 810 CD GLU A 52 11.979 11.451 7.473 1.00 0.00 C ATOM 811 OE1 GLU A 52 12.412 11.901 8.555 1.00 0.00 O ATOM 812 OE2 GLU A 52 12.707 11.228 6.483 1.00 0.00 O ATOM 0 H GLU A 52 8.065 8.970 9.004 1.00 0.00 H new ATOM 0 HA GLU A 52 7.831 11.140 9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.811 12.485 8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.233 10.883 9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.354 10.120 7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.070 11.775 6.563 1.00 0.00 H new ATOM 819 N VAL A 53 6.319 11.491 7.237 1.00 0.00 N ATOM 820 CA VAL A 53 5.498 12.257 6.305 1.00 0.00 C ATOM 821 C VAL A 53 4.339 12.937 7.025 1.00 0.00 C ATOM 822 O VAL A 53 3.190 12.851 6.594 1.00 0.00 O ATOM 823 CB VAL A 53 4.937 11.362 5.185 1.00 0.00 C ATOM 824 CG1 VAL A 53 4.114 10.225 5.771 1.00 0.00 C ATOM 825 CG2 VAL A 53 4.109 12.184 4.210 1.00 0.00 C ATOM 0 H VAL A 53 5.894 10.621 7.557 1.00 0.00 H new ATOM 0 HA VAL A 53 6.144 13.016 5.864 1.00 0.00 H new ATOM 0 HB VAL A 53 5.774 10.928 4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.726 9.603 4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.742 9.620 6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.283 10.635 6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.721 11.535 3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.278 12.649 4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.734 12.958 3.764 1.00 0.00 H new ATOM 835 N SER A 54 4.649 13.614 8.127 1.00 0.00 N ATOM 836 CA SER A 54 3.633 14.306 8.910 1.00 0.00 C ATOM 837 C SER A 54 2.880 15.317 8.050 1.00 0.00 C ATOM 838 O SER A 54 3.390 15.787 7.032 1.00 0.00 O ATOM 839 CB SER A 54 4.274 15.014 10.105 1.00 0.00 C ATOM 840 OG SER A 54 3.297 15.676 10.890 1.00 0.00 O ATOM 0 H SER A 54 5.596 13.697 8.497 1.00 0.00 H new ATOM 0 HA SER A 54 2.923 13.564 9.275 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.807 14.288 10.719 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.011 15.735 9.752 1.00 0.00 H new ATOM 0 HG SER A 54 3.732 16.119 11.648 1.00 0.00 H new ATOM 846 N LEU A 55 1.662 15.648 8.467 1.00 0.00 N ATOM 847 CA LEU A 55 0.837 16.603 7.735 1.00 0.00 C ATOM 848 C LEU A 55 1.671 17.783 7.249 1.00 0.00 C ATOM 849 O LEU A 55 2.787 18.003 7.720 1.00 0.00 O ATOM 850 CB LEU A 55 -0.306 17.102 8.622 1.00 0.00 C ATOM 851 CG LEU A 55 -0.010 18.345 9.462 1.00 0.00 C ATOM 852 CD1 LEU A 55 1.334 18.212 10.158 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.042 19.595 8.594 1.00 0.00 C ATOM 0 H LEU A 55 1.225 15.269 9.307 1.00 0.00 H new ATOM 0 HA LEU A 55 0.420 16.095 6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.166 17.314 7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.597 16.295 9.294 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.783 18.436 10.225 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.527 19.106 10.751 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.321 17.340 10.811 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.120 18.095 9.412 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.171 20.470 9.208 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.709 19.512 7.808 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.029 19.700 8.143 1.00 0.00 H new ATOM 865 N GLU A 56 1.121 18.542 6.306 1.00 0.00 N ATOM 866 CA GLU A 56 1.816 19.701 5.758 1.00 0.00 C ATOM 867 C GLU A 56 0.873 20.896 5.644 1.00 0.00 C ATOM 868 O GLU A 56 -0.313 20.799 5.964 1.00 0.00 O ATOM 869 CB GLU A 56 2.404 19.369 4.385 1.00 0.00 C ATOM 870 CG GLU A 56 3.600 18.434 4.446 1.00 0.00 C ATOM 871 CD GLU A 56 4.881 19.151 4.825 1.00 0.00 C ATOM 872 OE1 GLU A 56 5.206 20.167 4.176 1.00 0.00 O ATOM 873 OE2 GLU A 56 5.560 18.695 5.768 1.00 0.00 O ATOM 0 H GLU A 56 0.198 18.375 5.906 1.00 0.00 H new ATOM 0 HA GLU A 56 2.626 19.962 6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.629 18.915 3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.702 20.295 3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.402 17.644 5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.730 17.953 3.477 1.00 0.00 H new ATOM 880 N LYS A 57 1.408 22.022 5.186 1.00 0.00 N ATOM 881 CA LYS A 57 0.616 23.237 5.028 1.00 0.00 C ATOM 882 C LYS A 57 -0.642 22.964 4.210 1.00 0.00 C ATOM 883 O LYS A 57 -1.667 23.617 4.396 1.00 0.00 O ATOM 884 CB LYS A 57 1.450 24.329 4.353 1.00 0.00 C ATOM 885 CG LYS A 57 0.732 25.664 4.248 1.00 0.00 C ATOM 886 CD LYS A 57 1.192 26.449 3.031 1.00 0.00 C ATOM 887 CE LYS A 57 0.829 27.921 3.148 1.00 0.00 C ATOM 888 NZ LYS A 57 0.758 28.583 1.815 1.00 0.00 N ATOM 0 H LYS A 57 2.387 22.119 4.917 1.00 0.00 H new ATOM 0 HA LYS A 57 0.316 23.577 6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.375 24.466 4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.729 23.996 3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.343 25.496 4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.915 26.249 5.150 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.271 26.347 2.918 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.736 26.031 2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.132 28.019 3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.568 28.429 3.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.508 29.585 1.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.682 28.512 1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.035 28.115 1.233 1.00 0.00 H new ATOM 902 N ASN A 58 -0.555 21.994 3.305 1.00 0.00 N ATOM 903 CA ASN A 58 -1.688 21.635 2.460 1.00 0.00 C ATOM 904 C ASN A 58 -2.653 20.715 3.204 1.00 0.00 C ATOM 905 O ASN A 58 -2.248 19.783 3.899 1.00 0.00 O ATOM 906 CB ASN A 58 -1.201 20.953 1.181 1.00 0.00 C ATOM 907 CG ASN A 58 -0.039 20.011 1.435 1.00 0.00 C ATOM 908 OD1 ASN A 58 -0.044 19.248 2.401 1.00 0.00 O ATOM 909 ND2 ASN A 58 0.964 20.061 0.565 1.00 0.00 N ATOM 0 H ASN A 58 0.287 21.443 3.138 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.217 22.551 2.197 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.024 20.397 0.733 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.899 21.712 0.460 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.773 19.451 0.683 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.925 20.709 -0.221 1.00 0.00 H new ATOM 916 N PRO A 59 -3.958 20.981 3.055 1.00 0.00 N ATOM 917 CA PRO A 59 -5.007 20.189 3.704 1.00 0.00 C ATOM 918 C PRO A 59 -5.125 18.789 3.112 1.00 0.00 C ATOM 919 O PRO A 59 -5.871 17.951 3.620 1.00 0.00 O ATOM 920 CB PRO A 59 -6.280 20.993 3.430 1.00 0.00 C ATOM 921 CG PRO A 59 -5.982 21.765 2.192 1.00 0.00 C ATOM 922 CD PRO A 59 -4.512 22.077 2.241 1.00 0.00 C ATOM 0 HA PRO A 59 -4.804 20.034 4.764 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.140 20.338 3.290 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.516 21.656 4.262 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.228 21.186 1.302 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.574 22.680 2.151 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.072 22.099 1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.322 23.050 2.694 1.00 0.00 H new ATOM 930 N CYS A 60 -4.385 18.541 2.037 1.00 0.00 N ATOM 931 CA CYS A 60 -4.407 17.241 1.376 1.00 0.00 C ATOM 932 C CYS A 60 -3.469 16.261 2.072 1.00 0.00 C ATOM 933 O CYS A 60 -3.913 15.346 2.765 1.00 0.00 O ATOM 934 CB CYS A 60 -4.013 17.387 -0.095 1.00 0.00 C ATOM 935 SG CYS A 60 -4.210 15.874 -1.065 1.00 0.00 S ATOM 0 H CYS A 60 -3.762 19.223 1.605 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.422 16.848 1.435 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.616 18.176 -0.545 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.973 17.709 -0.151 1.00 0.00 H new ATOM 0 HG CYS A 60 -3.854 16.098 -2.295 1.00 0.00 H new ATOM 941 N ILE A 61 -2.168 16.458 1.881 1.00 0.00 N ATOM 942 CA ILE A 61 -1.167 15.592 2.491 1.00 0.00 C ATOM 943 C ILE A 61 -1.636 15.082 3.850 1.00 0.00 C ATOM 944 O ILE A 61 -1.680 13.875 4.090 1.00 0.00 O ATOM 945 CB ILE A 61 0.179 16.320 2.664 1.00 0.00 C ATOM 946 CG1 ILE A 61 0.756 16.701 1.299 1.00 0.00 C ATOM 947 CG2 ILE A 61 1.158 15.448 3.435 1.00 0.00 C ATOM 948 CD1 ILE A 61 2.176 17.218 1.368 1.00 0.00 C ATOM 0 H ILE A 61 -1.783 17.210 1.309 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.028 14.747 1.817 1.00 0.00 H new ATOM 0 HB ILE A 61 0.011 17.234 3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.726 15.830 0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.122 17.463 0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.104 15.977 3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.747 15.223 4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.325 14.519 2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.521 17.469 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.209 18.108 1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.823 16.450 1.793 1.00 0.00 H new ATOM 960 N ARG A 62 -1.984 16.010 4.735 1.00 0.00 N ATOM 961 CA ARG A 62 -2.451 15.654 6.070 1.00 0.00 C ATOM 962 C ARG A 62 -3.413 14.472 6.014 1.00 0.00 C ATOM 963 O ARG A 62 -3.267 13.505 6.760 1.00 0.00 O ATOM 964 CB ARG A 62 -3.136 16.853 6.729 1.00 0.00 C ATOM 965 CG ARG A 62 -4.595 17.014 6.333 1.00 0.00 C ATOM 966 CD ARG A 62 -5.230 18.212 7.021 1.00 0.00 C ATOM 967 NE ARG A 62 -5.803 17.859 8.316 1.00 0.00 N ATOM 968 CZ ARG A 62 -6.897 17.118 8.459 1.00 0.00 C ATOM 969 NH1 ARG A 62 -7.532 16.656 7.391 1.00 0.00 N ATOM 970 NH2 ARG A 62 -7.358 16.840 9.672 1.00 0.00 N ATOM 0 H ARG A 62 -1.952 17.013 4.552 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.585 15.365 6.666 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.072 16.747 7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.594 17.761 6.464 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.669 17.133 5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.146 16.110 6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.480 18.991 7.157 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.009 18.627 6.381 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.338 18.200 9.158 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.181 16.869 6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.371 16.087 7.503 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.873 17.195 10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.198 16.271 9.780 1.00 0.00 H new ATOM 984 N GLU A 63 -4.396 14.557 5.124 1.00 0.00 N ATOM 985 CA GLU A 63 -5.383 13.495 4.971 1.00 0.00 C ATOM 986 C GLU A 63 -4.840 12.369 4.096 1.00 0.00 C ATOM 987 O GLU A 63 -4.792 11.213 4.513 1.00 0.00 O ATOM 988 CB GLU A 63 -6.674 14.049 4.365 1.00 0.00 C ATOM 989 CG GLU A 63 -7.862 13.113 4.502 1.00 0.00 C ATOM 990 CD GLU A 63 -8.157 12.751 5.945 1.00 0.00 C ATOM 991 OE1 GLU A 63 -8.536 13.655 6.717 1.00 0.00 O ATOM 992 OE2 GLU A 63 -8.008 11.563 6.299 1.00 0.00 O ATOM 0 H GLU A 63 -4.530 15.351 4.498 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.599 13.092 5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.913 14.998 4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.508 14.259 3.308 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.742 13.582 4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.669 12.202 3.935 1.00 0.00 H new ATOM 999 N ALA A 64 -4.432 12.717 2.880 1.00 0.00 N ATOM 1000 CA ALA A 64 -3.890 11.738 1.946 1.00 0.00 C ATOM 1001 C ALA A 64 -3.122 10.644 2.681 1.00 0.00 C ATOM 1002 O ALA A 64 -3.145 9.480 2.282 1.00 0.00 O ATOM 1003 CB ALA A 64 -2.993 12.421 0.926 1.00 0.00 C ATOM 0 H ALA A 64 -4.467 13.670 2.519 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.725 11.271 1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.596 11.677 0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.571 13.160 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.169 12.916 1.440 1.00 0.00 H new ATOM 1009 N ARG A 65 -2.442 11.027 3.758 1.00 0.00 N ATOM 1010 CA ARG A 65 -1.665 10.078 4.547 1.00 0.00 C ATOM 1011 C ARG A 65 -2.565 8.996 5.136 1.00 0.00 C ATOM 1012 O ARG A 65 -2.389 7.810 4.857 1.00 0.00 O ATOM 1013 CB ARG A 65 -0.922 10.806 5.670 1.00 0.00 C ATOM 1014 CG ARG A 65 0.393 10.148 6.055 1.00 0.00 C ATOM 1015 CD ARG A 65 0.984 10.777 7.307 1.00 0.00 C ATOM 1016 NE ARG A 65 0.590 12.175 7.456 1.00 0.00 N ATOM 1017 CZ ARG A 65 -0.503 12.566 8.101 1.00 0.00 C ATOM 1018 NH1 ARG A 65 -1.307 11.668 8.654 1.00 0.00 N ATOM 1019 NH2 ARG A 65 -0.795 13.857 8.193 1.00 0.00 N ATOM 0 H ARG A 65 -2.414 11.986 4.103 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.939 9.603 3.888 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -0.728 11.833 5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.565 10.854 6.548 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.233 9.083 6.222 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.101 10.239 5.232 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.661 10.214 8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.071 10.709 7.268 1.00 0.00 H new ATOM 0 HE ARG A 65 1.187 12.891 7.042 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.086 10.675 8.584 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.146 11.971 9.149 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.180 14.551 7.768 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.635 14.156 8.689 1.00 0.00 H new ATOM 1033 N ARG A 66 -3.527 9.413 5.951 1.00 0.00 N ATOM 1034 CA ARG A 66 -4.452 8.478 6.581 1.00 0.00 C ATOM 1035 C ARG A 66 -5.021 7.501 5.555 1.00 0.00 C ATOM 1036 O ARG A 66 -4.916 6.285 5.717 1.00 0.00 O ATOM 1037 CB ARG A 66 -5.592 9.238 7.262 1.00 0.00 C ATOM 1038 CG ARG A 66 -6.248 8.464 8.395 1.00 0.00 C ATOM 1039 CD ARG A 66 -7.507 9.158 8.888 1.00 0.00 C ATOM 1040 NE ARG A 66 -8.086 8.484 10.047 1.00 0.00 N ATOM 1041 CZ ARG A 66 -8.822 7.382 9.965 1.00 0.00 C ATOM 1042 NH1 ARG A 66 -9.068 6.832 8.783 1.00 0.00 N ATOM 1043 NH2 ARG A 66 -9.315 6.826 11.064 1.00 0.00 N ATOM 0 H ARG A 66 -3.687 10.391 6.191 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.901 7.911 7.331 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.207 10.180 7.652 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.348 9.486 6.517 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.495 7.458 8.055 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.543 8.357 9.220 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.273 10.190 9.148 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.242 9.191 8.083 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.916 8.882 10.971 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.691 7.256 7.935 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.634 5.985 8.722 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.129 7.245 11.975 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.880 5.979 10.998 1.00 0.00 H new ATOM 1057 N ARG A 67 -5.621 8.042 4.500 1.00 0.00 N ATOM 1058 CA ARG A 67 -6.207 7.218 3.450 1.00 0.00 C ATOM 1059 C ARG A 67 -5.187 6.221 2.909 1.00 0.00 C ATOM 1060 O ARG A 67 -5.451 5.020 2.848 1.00 0.00 O ATOM 1061 CB ARG A 67 -6.727 8.099 2.311 1.00 0.00 C ATOM 1062 CG ARG A 67 -7.393 7.317 1.192 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.880 8.238 0.083 1.00 0.00 C ATOM 1064 NE ARG A 67 -8.961 7.635 -0.693 1.00 0.00 N ATOM 1065 CZ ARG A 67 -8.764 6.747 -1.661 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -7.534 6.358 -1.968 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -9.798 6.244 -2.322 1.00 0.00 N ATOM 0 H ARG A 67 -5.714 9.047 4.350 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.040 6.663 3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.440 8.817 2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.897 8.672 1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.688 6.593 0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.234 6.751 1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.225 9.177 0.516 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.049 8.479 -0.580 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.920 7.911 -0.480 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.736 6.741 -1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.386 5.676 -2.712 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.746 6.539 -2.087 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.645 5.562 -3.065 1.00 0.00 H new ATOM 1081 N ALA A 68 -4.022 6.726 2.518 1.00 0.00 N ATOM 1082 CA ALA A 68 -2.963 5.879 1.984 1.00 0.00 C ATOM 1083 C ALA A 68 -2.632 4.742 2.944 1.00 0.00 C ATOM 1084 O ALA A 68 -2.814 3.569 2.619 1.00 0.00 O ATOM 1085 CB ALA A 68 -1.719 6.708 1.696 1.00 0.00 C ATOM 0 H ALA A 68 -3.788 7.718 2.561 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.318 5.440 1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.936 6.063 1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.958 7.481 0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.371 7.174 2.618 1.00 0.00 H new ATOM 1091 N VAL A 69 -2.146 5.097 4.129 1.00 0.00 N ATOM 1092 CA VAL A 69 -1.790 4.106 5.138 1.00 0.00 C ATOM 1093 C VAL A 69 -2.790 2.955 5.154 1.00 0.00 C ATOM 1094 O VAL A 69 -2.439 1.809 4.873 1.00 0.00 O ATOM 1095 CB VAL A 69 -1.722 4.733 6.542 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -1.413 3.672 7.587 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -0.688 5.847 6.578 1.00 0.00 C ATOM 0 H VAL A 69 -1.990 6.064 4.414 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.804 3.724 4.872 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.695 5.165 6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.369 4.134 8.573 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.195 2.913 7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.453 3.207 7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.653 6.279 7.578 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.292 5.443 6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.960 6.619 5.858 1.00 0.00 H new ATOM 1107 N ILE A 70 -4.038 3.269 5.485 1.00 0.00 N ATOM 1108 CA ILE A 70 -5.091 2.262 5.536 1.00 0.00 C ATOM 1109 C ILE A 70 -5.244 1.558 4.192 1.00 0.00 C ATOM 1110 O ILE A 70 -5.039 0.349 4.087 1.00 0.00 O ATOM 1111 CB ILE A 70 -6.443 2.881 5.936 1.00 0.00 C ATOM 1112 CG1 ILE A 70 -6.455 3.214 7.429 1.00 0.00 C ATOM 1113 CG2 ILE A 70 -7.582 1.932 5.591 1.00 0.00 C ATOM 1114 CD1 ILE A 70 -5.895 4.583 7.747 1.00 0.00 C ATOM 0 H ILE A 70 -4.345 4.213 5.722 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.796 1.535 6.293 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.583 3.805 5.376 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.479 3.154 7.798 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.878 2.461 7.966 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.531 2.383 5.880 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.583 1.739 4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.448 0.993 6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.935 4.751 8.823 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.860 4.640 7.409 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -6.486 5.345 7.239 1.00 0.00 H new ATOM 1126 N GLU A 71 -5.605 2.323 3.167 1.00 0.00 N ATOM 1127 CA GLU A 71 -5.784 1.772 1.829 1.00 0.00 C ATOM 1128 C GLU A 71 -4.724 0.716 1.529 1.00 0.00 C ATOM 1129 O GLU A 71 -4.957 -0.209 0.751 1.00 0.00 O ATOM 1130 CB GLU A 71 -5.723 2.886 0.782 1.00 0.00 C ATOM 1131 CG GLU A 71 -7.050 3.595 0.569 1.00 0.00 C ATOM 1132 CD GLU A 71 -8.208 2.630 0.412 1.00 0.00 C ATOM 1133 OE1 GLU A 71 -8.353 2.050 -0.685 1.00 0.00 O ATOM 1134 OE2 GLU A 71 -8.971 2.455 1.385 1.00 0.00 O ATOM 0 H GLU A 71 -5.779 3.326 3.237 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.765 1.298 1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.974 3.618 1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.390 2.464 -0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.244 4.256 1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.983 4.224 -0.319 1.00 0.00 H new ATOM 1141 N VAL A 72 -3.558 0.864 2.150 1.00 0.00 N ATOM 1142 CA VAL A 72 -2.461 -0.075 1.950 1.00 0.00 C ATOM 1143 C VAL A 72 -2.526 -1.218 2.957 1.00 0.00 C ATOM 1144 O VAL A 72 -2.287 -2.375 2.613 1.00 0.00 O ATOM 1145 CB VAL A 72 -1.094 0.625 2.071 1.00 0.00 C ATOM 1146 CG1 VAL A 72 0.029 -0.401 2.097 1.00 0.00 C ATOM 1147 CG2 VAL A 72 -0.900 1.613 0.931 1.00 0.00 C ATOM 0 H VAL A 72 -3.349 1.625 2.796 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.567 -0.476 0.942 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.069 1.179 3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.988 0.111 2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.105 -1.066 2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.010 -0.984 1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.071 2.099 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.944 1.084 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.688 2.366 0.964 1.00 0.00 H new ATOM 1157 N GLN A 73 -2.852 -0.884 4.202 1.00 0.00 N ATOM 1158 CA GLN A 73 -2.948 -1.883 5.260 1.00 0.00 C ATOM 1159 C GLN A 73 -4.087 -2.859 4.984 1.00 0.00 C ATOM 1160 O GLN A 73 -4.043 -4.016 5.404 1.00 0.00 O ATOM 1161 CB GLN A 73 -3.158 -1.205 6.614 1.00 0.00 C ATOM 1162 CG GLN A 73 -1.862 -0.840 7.319 1.00 0.00 C ATOM 1163 CD GLN A 73 -1.271 -2.001 8.094 1.00 0.00 C ATOM 1164 OE1 GLN A 73 -1.965 -2.969 8.408 1.00 0.00 O ATOM 1165 NE2 GLN A 73 0.016 -1.912 8.406 1.00 0.00 N ATOM 0 H GLN A 73 -3.054 0.070 4.502 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.012 -2.442 5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.751 -0.302 6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.737 -1.868 7.257 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.137 -0.494 6.582 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.045 -0.009 8.000 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.553 -1.092 8.126 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.468 -2.664 8.926 1.00 0.00 H new ATOM 1174 N THR A 74 -5.108 -2.386 4.277 1.00 0.00 N ATOM 1175 CA THR A 74 -6.260 -3.216 3.947 1.00 0.00 C ATOM 1176 C THR A 74 -5.838 -4.458 3.171 1.00 0.00 C ATOM 1177 O THR A 74 -6.434 -5.526 3.317 1.00 0.00 O ATOM 1178 CB THR A 74 -7.296 -2.434 3.118 1.00 0.00 C ATOM 1179 OG1 THR A 74 -8.574 -3.075 3.202 1.00 0.00 O ATOM 1180 CG2 THR A 74 -6.865 -2.339 1.663 1.00 0.00 C ATOM 0 H THR A 74 -5.161 -1.431 3.921 1.00 0.00 H new ATOM 0 HA THR A 74 -6.714 -3.518 4.891 1.00 0.00 H new ATOM 0 HB THR A 74 -7.368 -1.425 3.525 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.228 -2.571 2.674 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.613 -1.782 1.098 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.906 -1.825 1.600 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.767 -3.341 1.246 1.00 0.00 H new ATOM 1188 N LEU A 75 -4.807 -4.313 2.346 1.00 0.00 N ATOM 1189 CA LEU A 75 -4.303 -5.425 1.546 1.00 0.00 C ATOM 1190 C LEU A 75 -3.603 -6.455 2.426 1.00 0.00 C ATOM 1191 O LEU A 75 -3.947 -7.637 2.409 1.00 0.00 O ATOM 1192 CB LEU A 75 -3.340 -4.913 0.474 1.00 0.00 C ATOM 1193 CG LEU A 75 -3.979 -4.436 -0.830 1.00 0.00 C ATOM 1194 CD1 LEU A 75 -2.975 -3.654 -1.663 1.00 0.00 C ATOM 1195 CD2 LEU A 75 -4.524 -5.617 -1.621 1.00 0.00 C ATOM 0 H LEU A 75 -4.303 -3.436 2.213 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.152 -5.906 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.764 -4.089 0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.633 -5.709 0.239 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.809 -3.774 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.449 -3.323 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.632 -2.786 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.124 -4.292 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.975 -5.258 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.711 -6.304 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.277 -6.136 -1.028 1.00 0.00 H new ATOM 1207 N ILE A 76 -2.621 -5.998 3.196 1.00 0.00 N ATOM 1208 CA ILE A 76 -1.875 -6.880 4.085 1.00 0.00 C ATOM 1209 C ILE A 76 -2.808 -7.827 4.830 1.00 0.00 C ATOM 1210 O ILE A 76 -2.557 -9.031 4.909 1.00 0.00 O ATOM 1211 CB ILE A 76 -1.050 -6.079 5.109 1.00 0.00 C ATOM 1212 CG1 ILE A 76 -0.047 -5.173 4.393 1.00 0.00 C ATOM 1213 CG2 ILE A 76 -0.332 -7.021 6.065 1.00 0.00 C ATOM 1214 CD1 ILE A 76 0.538 -4.096 5.281 1.00 0.00 C ATOM 0 H ILE A 76 -2.324 -5.023 3.222 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.198 -7.460 3.458 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.728 -5.452 5.688 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.763 -5.784 3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.538 -4.703 3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.247 -6.439 6.783 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.065 -7.628 6.597 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.337 -7.671 5.501 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.240 -3.492 4.706 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.263 -3.460 5.658 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.059 -4.559 6.119 1.00 0.00 H new ATOM 1226 N THR A 77 -3.889 -7.277 5.375 1.00 0.00 N ATOM 1227 CA THR A 77 -4.862 -8.073 6.114 1.00 0.00 C ATOM 1228 C THR A 77 -5.528 -9.104 5.211 1.00 0.00 C ATOM 1229 O THR A 77 -5.528 -10.298 5.510 1.00 0.00 O ATOM 1230 CB THR A 77 -5.949 -7.185 6.749 1.00 0.00 C ATOM 1231 OG1 THR A 77 -5.340 -6.104 7.466 1.00 0.00 O ATOM 1232 CG2 THR A 77 -6.827 -7.994 7.691 1.00 0.00 C ATOM 0 H THR A 77 -4.113 -6.283 5.319 1.00 0.00 H new ATOM 0 HA THR A 77 -4.315 -8.586 6.905 1.00 0.00 H new ATOM 0 HB THR A 77 -6.574 -6.785 5.950 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.058 -5.410 6.834 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.587 -7.346 8.127 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.311 -8.798 7.137 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.213 -8.419 8.485 1.00 0.00 H new ATOM 1240 N TYR A 78 -6.095 -8.636 4.104 1.00 0.00 N ATOM 1241 CA TYR A 78 -6.766 -9.519 3.157 1.00 0.00 C ATOM 1242 C TYR A 78 -5.977 -10.809 2.963 1.00 0.00 C ATOM 1243 O TYR A 78 -6.549 -11.900 2.929 1.00 0.00 O ATOM 1244 CB TYR A 78 -6.951 -8.812 1.813 1.00 0.00 C ATOM 1245 CG TYR A 78 -7.478 -9.716 0.722 1.00 0.00 C ATOM 1246 CD1 TYR A 78 -8.705 -10.354 0.853 1.00 0.00 C ATOM 1247 CD2 TYR A 78 -6.748 -9.932 -0.441 1.00 0.00 C ATOM 1248 CE1 TYR A 78 -9.189 -11.182 -0.141 1.00 0.00 C ATOM 1249 CE2 TYR A 78 -7.226 -10.757 -1.441 1.00 0.00 C ATOM 1250 CZ TYR A 78 -8.446 -11.380 -1.286 1.00 0.00 C ATOM 1251 OH TYR A 78 -8.926 -12.202 -2.280 1.00 0.00 O ATOM 0 H TYR A 78 -6.103 -7.651 3.841 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.745 -9.772 3.564 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.637 -7.975 1.943 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.995 -8.394 1.497 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.291 -10.200 1.747 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.791 -9.447 -0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -10.144 -11.672 -0.022 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.647 -10.913 -2.339 1.00 0.00 H new ATOM 0 HH TYR A 78 -8.282 -12.233 -3.018 1.00 0.00 H new ATOM 1261 N ILE A 79 -4.661 -10.677 2.835 1.00 0.00 N ATOM 1262 CA ILE A 79 -3.793 -11.834 2.645 1.00 0.00 C ATOM 1263 C ILE A 79 -3.715 -12.676 3.914 1.00 0.00 C ATOM 1264 O ILE A 79 -4.053 -13.861 3.906 1.00 0.00 O ATOM 1265 CB ILE A 79 -2.371 -11.408 2.236 1.00 0.00 C ATOM 1266 CG1 ILE A 79 -2.392 -10.734 0.863 1.00 0.00 C ATOM 1267 CG2 ILE A 79 -1.440 -12.611 2.227 1.00 0.00 C ATOM 1268 CD1 ILE A 79 -1.248 -9.769 0.647 1.00 0.00 C ATOM 0 H ILE A 79 -4.172 -9.782 2.859 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.230 -12.430 1.843 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.998 -10.690 2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.360 -11.502 0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.335 -10.200 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.439 -12.294 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.406 -13.052 3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.808 -13.350 1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.326 -9.328 -0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.291 -8.980 1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.301 -10.302 0.734 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.269 -12.058 5.001 1.00 0.00 N ATOM 1281 CA ASP A 80 -3.149 -12.750 6.279 1.00 0.00 C ATOM 1282 C ASP A 80 -4.275 -13.763 6.456 1.00 0.00 C ATOM 1283 O ASP A 80 -4.030 -14.935 6.750 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.164 -11.745 7.432 1.00 0.00 C ATOM 1285 CG ASP A 80 -3.544 -12.385 8.752 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -2.658 -12.983 9.398 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -4.726 -12.286 9.141 1.00 0.00 O ATOM 0 H ASP A 80 -2.984 -11.079 5.023 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.199 -13.284 6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.179 -11.287 7.524 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.868 -10.945 7.204 1.00 0.00 H new ATOM 1292 N LEU A 81 -5.509 -13.306 6.276 1.00 0.00 N ATOM 1293 CA LEU A 81 -6.675 -14.172 6.417 1.00 0.00 C ATOM 1294 C LEU A 81 -6.545 -15.407 5.532 1.00 0.00 C ATOM 1295 O LEU A 81 -6.626 -16.540 6.010 1.00 0.00 O ATOM 1296 CB LEU A 81 -7.950 -13.407 6.060 1.00 0.00 C ATOM 1297 CG LEU A 81 -8.619 -12.647 7.205 1.00 0.00 C ATOM 1298 CD1 LEU A 81 -7.870 -11.355 7.498 1.00 0.00 C ATOM 1299 CD2 LEU A 81 -10.075 -12.357 6.875 1.00 0.00 C ATOM 0 H LEU A 81 -5.729 -12.340 6.032 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.733 -14.496 7.456 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.714 -12.696 5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.671 -14.114 5.649 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.587 -13.273 8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.361 -10.827 8.316 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.843 -11.586 7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.869 -10.725 6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.535 -11.815 7.702 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.129 -11.752 5.970 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.606 -13.296 6.716 1.00 0.00 H new ATOM 1311 N LYS A 82 -6.340 -15.184 4.238 1.00 0.00 N ATOM 1312 CA LYS A 82 -6.195 -16.278 3.285 1.00 0.00 C ATOM 1313 C LYS A 82 -5.025 -17.179 3.666 1.00 0.00 C ATOM 1314 O LYS A 82 -5.222 -18.303 4.129 1.00 0.00 O ATOM 1315 CB LYS A 82 -5.987 -15.726 1.873 1.00 0.00 C ATOM 1316 CG LYS A 82 -7.283 -15.476 1.121 1.00 0.00 C ATOM 1317 CD LYS A 82 -8.109 -14.384 1.782 1.00 0.00 C ATOM 1318 CE LYS A 82 -9.569 -14.458 1.362 1.00 0.00 C ATOM 1319 NZ LYS A 82 -10.303 -15.529 2.091 1.00 0.00 N ATOM 0 H LYS A 82 -6.270 -14.254 3.825 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.110 -16.870 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.427 -14.793 1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.376 -16.427 1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.059 -15.192 0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.864 -16.397 1.078 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.036 -14.477 2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.702 -13.408 1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.049 -13.497 1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.629 -14.642 0.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.294 -15.547 1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.861 -16.449 1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.268 -15.340 3.113 1.00 0.00 H new ATOM 1333 N GLU A 83 -3.809 -16.680 3.470 1.00 0.00 N ATOM 1334 CA GLU A 83 -2.609 -17.443 3.795 1.00 0.00 C ATOM 1335 C GLU A 83 -2.831 -18.304 5.035 1.00 0.00 C ATOM 1336 O GLU A 83 -2.437 -19.470 5.072 1.00 0.00 O ATOM 1337 CB GLU A 83 -1.425 -16.500 4.021 1.00 0.00 C ATOM 1338 CG GLU A 83 -0.082 -17.114 3.662 1.00 0.00 C ATOM 1339 CD GLU A 83 0.486 -17.967 4.779 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.951 -17.392 5.786 1.00 0.00 O ATOM 1341 OE2 GLU A 83 0.468 -19.209 4.645 1.00 0.00 O ATOM 0 H GLU A 83 -3.628 -15.752 3.088 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.387 -18.099 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.572 -15.597 3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.408 -16.196 5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.193 -17.723 2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.624 -16.319 3.422 1.00 0.00 H new ATOM 1348 N SER A 84 -3.465 -17.723 6.048 1.00 0.00 N ATOM 1349 CA SER A 84 -3.736 -18.435 7.290 1.00 0.00 C ATOM 1350 C SER A 84 -2.475 -19.120 7.810 1.00 0.00 C ATOM 1351 O SER A 84 -2.510 -20.277 8.224 1.00 0.00 O ATOM 1352 CB SER A 84 -4.842 -19.470 7.079 1.00 0.00 C ATOM 1353 OG SER A 84 -5.425 -19.853 8.312 1.00 0.00 O ATOM 0 H SER A 84 -3.801 -16.760 6.032 1.00 0.00 H new ATOM 0 HA SER A 84 -4.066 -17.708 8.032 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.609 -19.058 6.423 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.432 -20.348 6.579 1.00 0.00 H new ATOM 0 HG SER A 84 -4.726 -20.180 8.917 1.00 0.00 H new ATOM 1359 N GLY A 85 -1.361 -18.393 7.785 1.00 0.00 N ATOM 1360 CA GLY A 85 -0.105 -18.946 8.256 1.00 0.00 C ATOM 1361 C GLY A 85 0.266 -18.448 9.639 1.00 0.00 C ATOM 1362 O GLY A 85 -0.183 -18.979 10.655 1.00 0.00 O ATOM 0 H GLY A 85 -1.307 -17.432 7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.174 -20.034 8.271 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.688 -18.686 7.555 1.00 0.00 H new ATOM 1366 N PRO A 86 1.107 -17.404 9.690 1.00 0.00 N ATOM 1367 CA PRO A 86 1.557 -16.812 10.953 1.00 0.00 C ATOM 1368 C PRO A 86 0.439 -16.071 11.678 1.00 0.00 C ATOM 1369 O PRO A 86 -0.578 -15.725 11.078 1.00 0.00 O ATOM 1370 CB PRO A 86 2.651 -15.833 10.517 1.00 0.00 C ATOM 1371 CG PRO A 86 2.309 -15.487 9.108 1.00 0.00 C ATOM 1372 CD PRO A 86 1.683 -16.721 8.519 1.00 0.00 C ATOM 0 HA PRO A 86 1.899 -17.570 11.658 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.664 -14.946 11.151 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.639 -16.288 10.584 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.620 -14.643 9.070 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.199 -15.197 8.550 1.00 0.00 H new ATOM 0 HD2 PRO A 86 0.919 -16.472 7.783 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.421 -17.344 8.013 1.00 0.00 H new ATOM 1380 N SER A 87 0.635 -15.832 12.971 1.00 0.00 N ATOM 1381 CA SER A 87 -0.360 -15.136 13.778 1.00 0.00 C ATOM 1382 C SER A 87 0.126 -13.738 14.153 1.00 0.00 C ATOM 1383 O SER A 87 1.320 -13.518 14.356 1.00 0.00 O ATOM 1384 CB SER A 87 -0.671 -15.936 15.044 1.00 0.00 C ATOM 1385 OG SER A 87 0.481 -16.066 15.861 1.00 0.00 O ATOM 0 H SER A 87 1.473 -16.110 13.482 1.00 0.00 H new ATOM 0 HA SER A 87 -1.270 -15.039 13.185 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.464 -15.442 15.605 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.041 -16.924 14.772 1.00 0.00 H new ATOM 0 HG SER A 87 0.256 -16.580 16.665 1.00 0.00 H new ATOM 1391 N SER A 88 -0.808 -12.798 14.243 1.00 0.00 N ATOM 1392 CA SER A 88 -0.476 -11.421 14.589 1.00 0.00 C ATOM 1393 C SER A 88 -1.619 -10.763 15.357 1.00 0.00 C ATOM 1394 O SER A 88 -2.771 -11.184 15.258 1.00 0.00 O ATOM 1395 CB SER A 88 -0.167 -10.616 13.325 1.00 0.00 C ATOM 1396 OG SER A 88 -1.315 -10.495 12.503 1.00 0.00 O ATOM 0 H SER A 88 -1.801 -12.964 14.081 1.00 0.00 H new ATOM 0 HA SER A 88 0.407 -11.436 15.228 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.193 -9.625 13.601 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.634 -11.102 12.767 1.00 0.00 H new ATOM 0 HG SER A 88 -1.091 -9.975 11.703 1.00 0.00 H new ATOM 1402 N GLY A 89 -1.290 -9.728 16.124 1.00 0.00 N ATOM 1403 CA GLY A 89 -2.298 -9.029 16.899 1.00 0.00 C ATOM 1404 C GLY A 89 -1.870 -7.623 17.271 1.00 0.00 C ATOM 1405 O GLY A 89 -2.270 -6.654 16.625 1.00 0.00 O ATOM 0 H GLY A 89 -0.343 -9.361 16.222 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.225 -8.984 16.328 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.510 -9.593 17.807 1.00 0.00 H new TER 1409 GLY A 89