USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 422 hydrogens (10 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 Set 1.1: A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 40 LYS NZ :NH3+ -128:sc= -4.88! (180deg=-9.48!) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 22 HIS : no HD1:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 1 FME CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 73:sc= 0.843 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -19:sc= 0.132 USER MOD Single : A 35 THR OG1 : rot -170:sc= -1.65 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -8.01! C(o=-8!,f=-9.3!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 N FME A 1 -11.411 -4.246 1.557 1.00 0.00 N HETATM 2 CN FME A 1 -11.172 -5.487 1.955 1.00 0.00 C HETATM 3 O1 FME A 1 -10.211 -6.129 1.535 1.00 0.00 O HETATM 4 CA FME A 1 -10.533 -3.589 0.600 1.00 0.00 C HETATM 5 CB FME A 1 -10.837 -4.073 -0.822 1.00 0.00 C HETATM 6 CG FME A 1 -9.751 -3.570 -1.778 1.00 0.00 C HETATM 7 SD FME A 1 -8.383 -4.753 -1.810 1.00 0.00 S HETATM 8 CE FME A 1 -7.939 -4.535 -3.553 1.00 0.00 C HETATM 9 C FME A 1 -10.706 -2.079 0.671 1.00 0.00 C HETATM 10 O FME A 1 -9.741 -1.327 0.556 1.00 0.00 O HETATM 0 HG3 FME A 1 -10.162 -3.446 -2.780 1.00 0.00 H new HETATM 0 HG2 FME A 1 -9.393 -2.592 -1.457 1.00 0.00 H new HETATM 0 HE3 FME A 1 -7.098 -5.184 -3.798 1.00 0.00 H new HETATM 0 HE2 FME A 1 -8.792 -4.794 -4.181 1.00 0.00 H new HETATM 0 HE1 FME A 1 -7.660 -3.496 -3.730 1.00 0.00 H new HETATM 0 HCN FME A 1 -11.846 -5.952 2.675 1.00 0.00 H new HETATM 0 HB3 FME A 1 -10.880 -5.162 -0.845 1.00 0.00 H new HETATM 0 HB2 FME A 1 -11.814 -3.708 -1.140 1.00 0.00 H new HETATM 0 HA FME A 1 -9.503 -3.842 0.852 1.00 0.00 H new HETATM 0 H FME A 1 -12.220 -3.745 1.926 1.00 0.00 H new ATOM 21 N ALA A 2 -11.947 -1.643 0.855 1.00 0.00 N ATOM 22 CA ALA A 2 -12.240 -0.216 0.933 1.00 0.00 C ATOM 23 C ALA A 2 -11.540 0.417 2.135 1.00 0.00 C ATOM 24 O ALA A 2 -10.989 1.512 2.040 1.00 0.00 O ATOM 25 CB ALA A 2 -13.753 -0.007 1.051 1.00 0.00 C ATOM 0 H ALA A 2 -12.760 -2.251 0.952 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.872 0.263 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.970 1.060 1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.248 -0.431 0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.119 -0.501 1.951 1.00 0.00 H new ATOM 31 N GLY A 3 -11.551 -0.287 3.266 1.00 0.00 N ATOM 32 CA GLY A 3 -10.903 0.217 4.473 1.00 0.00 C ATOM 33 C GLY A 3 -9.404 0.372 4.247 1.00 0.00 C ATOM 34 O GLY A 3 -8.801 1.366 4.658 1.00 0.00 O ATOM 0 H GLY A 3 -11.997 -1.198 3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -11.336 1.178 4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.083 -0.467 5.303 1.00 0.00 H new ATOM 38 N LEU A 4 -8.819 -0.610 3.570 1.00 0.00 N ATOM 39 CA LEU A 4 -7.393 -0.586 3.271 1.00 0.00 C ATOM 40 C LEU A 4 -7.061 0.627 2.410 1.00 0.00 C ATOM 41 O LEU A 4 -6.063 1.310 2.658 1.00 0.00 O ATOM 42 CB LEU A 4 -7.008 -1.867 2.523 1.00 0.00 C ATOM 43 CG LEU A 4 -5.481 -1.908 2.263 1.00 0.00 C ATOM 44 CD1 LEU A 4 -4.783 -2.681 3.385 1.00 0.00 C ATOM 45 CD2 LEU A 4 -5.198 -2.588 0.915 1.00 0.00 C ATOM 0 H LEU A 4 -9.310 -1.432 3.218 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.832 -0.524 4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.307 -2.739 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.545 -1.917 1.576 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.099 -0.888 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.710 -2.706 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.972 -2.188 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.169 -3.700 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.123 -2.613 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.587 -3.606 0.932 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.683 -2.028 0.116 1.00 0.00 H new ATOM 57 N LEU A 5 -7.889 0.882 1.400 1.00 0.00 N ATOM 58 CA LEU A 5 -7.658 2.009 0.510 1.00 0.00 C ATOM 59 C LEU A 5 -7.720 3.322 1.285 1.00 0.00 C ATOM 60 O LEU A 5 -6.874 4.194 1.106 1.00 0.00 O ATOM 61 CB LEU A 5 -8.715 2.012 -0.596 1.00 0.00 C ATOM 62 CG LEU A 5 -8.497 0.806 -1.523 1.00 0.00 C ATOM 63 CD1 LEU A 5 -9.659 0.715 -2.519 1.00 0.00 C ATOM 64 CD2 LEU A 5 -7.163 0.959 -2.280 1.00 0.00 C ATOM 0 H LEU A 5 -8.717 0.328 1.181 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.666 1.911 0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.713 1.972 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.655 2.938 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.459 -0.107 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.507 -0.140 -3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.596 0.592 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.702 1.628 -3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.016 0.100 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.186 1.871 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.343 1.014 -1.564 1.00 0.00 H new ATOM 76 N ARG A 6 -8.710 3.446 2.161 1.00 0.00 N ATOM 77 CA ARG A 6 -8.857 4.656 2.956 1.00 0.00 C ATOM 78 C ARG A 6 -7.612 4.879 3.798 1.00 0.00 C ATOM 79 O ARG A 6 -7.107 5.999 3.876 1.00 0.00 O ATOM 80 CB ARG A 6 -10.065 4.519 3.888 1.00 0.00 C ATOM 81 CG ARG A 6 -10.325 5.848 4.626 1.00 0.00 C ATOM 82 CD ARG A 6 -10.887 5.570 6.020 1.00 0.00 C ATOM 83 NE ARG A 6 -11.260 6.820 6.669 1.00 0.00 N ATOM 84 CZ ARG A 6 -11.478 6.875 7.977 1.00 0.00 C ATOM 85 NH1 ARG A 6 -11.811 8.006 8.536 1.00 0.00 N ATOM 86 NH2 ARG A 6 -11.352 5.793 8.700 1.00 0.00 N ATOM 0 H ARG A 6 -9.416 2.731 2.337 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.001 5.501 2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.947 4.236 3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.887 3.723 4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -9.399 6.417 4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -11.026 6.458 4.057 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.756 4.916 5.946 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.144 5.046 6.622 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.355 7.667 6.109 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -11.904 8.848 7.968 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.979 8.048 9.541 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.087 4.912 8.258 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.518 5.829 9.706 1.00 0.00 H new ATOM 100 N PHE A 7 -7.139 3.816 4.426 1.00 0.00 N ATOM 101 CA PHE A 7 -5.964 3.899 5.279 1.00 0.00 C ATOM 102 C PHE A 7 -4.752 4.367 4.479 1.00 0.00 C ATOM 103 O PHE A 7 -4.004 5.247 4.903 1.00 0.00 O ATOM 104 CB PHE A 7 -5.679 2.519 5.872 1.00 0.00 C ATOM 105 CG PHE A 7 -4.625 2.619 6.955 1.00 0.00 C ATOM 106 CD1 PHE A 7 -3.299 2.240 6.691 1.00 0.00 C ATOM 107 CD2 PHE A 7 -4.980 3.075 8.228 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.333 2.316 7.704 1.00 0.00 C ATOM 109 CE2 PHE A 7 -4.015 3.155 9.240 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.694 2.775 8.979 1.00 0.00 C ATOM 0 H PHE A 7 -7.550 2.885 4.362 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.154 4.618 6.075 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.595 2.097 6.285 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.341 1.842 5.088 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.023 1.890 5.707 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.000 3.366 8.431 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.313 2.022 7.503 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.291 3.510 10.222 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.951 2.835 9.761 1.00 0.00 H new ATOM 120 N LEU A 8 -4.560 3.764 3.319 1.00 0.00 N ATOM 121 CA LEU A 8 -3.431 4.116 2.480 1.00 0.00 C ATOM 122 C LEU A 8 -3.500 5.585 2.081 1.00 0.00 C ATOM 123 O LEU A 8 -2.492 6.289 2.094 1.00 0.00 O ATOM 124 CB LEU A 8 -3.427 3.230 1.231 1.00 0.00 C ATOM 125 CG LEU A 8 -2.850 1.846 1.578 1.00 0.00 C ATOM 126 CD1 LEU A 8 -3.429 0.785 0.637 1.00 0.00 C ATOM 127 CD2 LEU A 8 -1.331 1.871 1.411 1.00 0.00 C ATOM 0 H LEU A 8 -5.165 3.036 2.940 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.509 3.956 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.441 3.125 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.833 3.696 0.445 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.112 1.604 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.015 -0.191 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.513 0.758 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.171 1.032 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.922 0.891 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.082 2.120 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.904 2.620 2.078 1.00 0.00 H new ATOM 139 N LEU A 9 -4.694 6.043 1.724 1.00 0.00 N ATOM 140 CA LEU A 9 -4.886 7.428 1.319 1.00 0.00 C ATOM 141 C LEU A 9 -4.602 8.395 2.466 1.00 0.00 C ATOM 142 O LEU A 9 -3.940 9.420 2.283 1.00 0.00 O ATOM 143 CB LEU A 9 -6.330 7.607 0.868 1.00 0.00 C ATOM 144 CG LEU A 9 -6.545 9.020 0.320 1.00 0.00 C ATOM 145 CD1 LEU A 9 -5.659 9.239 -0.913 1.00 0.00 C ATOM 146 CD2 LEU A 9 -8.016 9.181 -0.071 1.00 0.00 C ATOM 0 H LEU A 9 -5.542 5.476 1.707 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.191 7.649 0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.572 6.872 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.004 7.428 1.705 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.281 9.753 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.816 10.246 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.612 9.116 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.919 8.511 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.181 10.185 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.272 8.447 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.645 9.026 0.806 1.00 0.00 H new ATOM 158 N SER A 10 -5.114 8.068 3.647 1.00 0.00 N ATOM 159 CA SER A 10 -4.919 8.922 4.806 1.00 0.00 C ATOM 160 C SER A 10 -3.436 9.059 5.112 1.00 0.00 C ATOM 161 O SER A 10 -2.965 10.135 5.484 1.00 0.00 O ATOM 162 CB SER A 10 -5.641 8.329 6.015 1.00 0.00 C ATOM 163 OG SER A 10 -7.024 8.189 5.719 1.00 0.00 O ATOM 0 H SER A 10 -5.662 7.226 3.824 1.00 0.00 H new ATOM 0 HA SER A 10 -5.329 9.908 4.589 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.212 7.359 6.268 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.508 8.973 6.884 1.00 0.00 H new ATOM 0 HG SER A 10 -7.151 7.443 5.097 1.00 0.00 H new ATOM 169 N LYS A 11 -2.700 7.966 4.968 1.00 0.00 N ATOM 170 CA LYS A 11 -1.268 7.999 5.251 1.00 0.00 C ATOM 171 C LYS A 11 -0.508 8.776 4.171 1.00 0.00 C ATOM 172 O LYS A 11 0.372 9.578 4.485 1.00 0.00 O ATOM 173 CB LYS A 11 -0.717 6.572 5.362 1.00 0.00 C ATOM 174 CG LYS A 11 -1.327 5.850 6.575 1.00 0.00 C ATOM 175 CD LYS A 11 -0.765 6.412 7.888 1.00 0.00 C ATOM 176 CE LYS A 11 -1.067 5.426 9.016 1.00 0.00 C ATOM 177 NZ LYS A 11 -0.388 5.870 10.265 1.00 0.00 N ATOM 0 H LYS A 11 -3.059 7.061 4.663 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.124 8.512 6.202 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.942 6.018 4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.368 6.602 5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.411 5.961 6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.115 4.783 6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.310 6.569 7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.212 7.382 8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.143 5.362 9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.727 4.428 8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.595 5.197 11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.639 5.909 10.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.733 6.814 10.531 1.00 0.00 H new ATOM 191 N GLY A 12 -0.846 8.550 2.904 1.00 0.00 N ATOM 192 CA GLY A 12 -0.177 9.257 1.811 1.00 0.00 C ATOM 193 C GLY A 12 -0.900 9.038 0.482 1.00 0.00 C ATOM 194 O GLY A 12 -1.499 7.985 0.255 1.00 0.00 O ATOM 0 H GLY A 12 -1.568 7.893 2.609 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.138 10.323 2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.853 8.911 1.728 1.00 0.00 H new ATOM 198 N ARG A 13 -0.818 10.031 -0.400 1.00 0.00 N ATOM 199 CA ARG A 13 -1.444 9.940 -1.715 1.00 0.00 C ATOM 200 C ARG A 13 -0.631 9.000 -2.584 1.00 0.00 C ATOM 201 O ARG A 13 -1.152 8.276 -3.436 1.00 0.00 O ATOM 202 CB ARG A 13 -1.518 11.322 -2.358 1.00 0.00 C ATOM 203 CG ARG A 13 -2.569 12.156 -1.620 1.00 0.00 C ATOM 204 CD ARG A 13 -2.628 13.562 -2.216 1.00 0.00 C ATOM 205 NE ARG A 13 -3.639 14.357 -1.527 1.00 0.00 N ATOM 206 CZ ARG A 13 -4.112 15.482 -2.054 1.00 0.00 C ATOM 207 NH1 ARG A 13 -5.020 16.169 -1.416 1.00 0.00 N ATOM 208 NH2 ARG A 13 -3.670 15.902 -3.209 1.00 0.00 N ATOM 0 H ARG A 13 -0.325 10.907 -0.228 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.458 9.555 -1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.546 11.813 -2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.779 11.234 -3.413 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.545 11.678 -1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.323 12.211 -0.559 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.654 14.043 -2.129 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.861 13.505 -3.279 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.990 14.043 -0.622 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.366 15.843 -0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.383 17.032 -1.820 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.960 15.366 -3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.035 16.766 -3.611 1.00 0.00 H new ATOM 222 N ALA A 14 0.670 9.031 -2.353 1.00 0.00 N ATOM 223 CA ALA A 14 1.593 8.194 -3.094 1.00 0.00 C ATOM 224 C ALA A 14 1.280 6.714 -2.860 1.00 0.00 C ATOM 225 O ALA A 14 1.295 5.906 -3.785 1.00 0.00 O ATOM 226 CB ALA A 14 3.026 8.496 -2.644 1.00 0.00 C ATOM 0 H ALA A 14 1.111 9.630 -1.655 1.00 0.00 H new ATOM 0 HA ALA A 14 1.488 8.408 -4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.722 7.868 -3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.253 9.545 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.124 8.290 -1.578 1.00 0.00 H new ATOM 232 N LEU A 15 0.997 6.369 -1.611 1.00 0.00 N ATOM 233 CA LEU A 15 0.689 4.987 -1.255 1.00 0.00 C ATOM 234 C LEU A 15 -0.544 4.502 -2.015 1.00 0.00 C ATOM 235 O LEU A 15 -0.574 3.393 -2.547 1.00 0.00 O ATOM 236 CB LEU A 15 0.389 4.905 0.242 1.00 0.00 C ATOM 237 CG LEU A 15 1.494 5.600 1.037 1.00 0.00 C ATOM 238 CD1 LEU A 15 1.088 5.704 2.511 1.00 0.00 C ATOM 239 CD2 LEU A 15 2.785 4.798 0.934 1.00 0.00 C ATOM 0 H LEU A 15 0.974 7.023 -0.829 1.00 0.00 H new ATOM 0 HA LEU A 15 1.546 4.365 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.572 5.373 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.310 3.862 0.549 1.00 0.00 H new ATOM 0 HG LEU A 15 1.648 6.599 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.880 6.200 3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.167 6.281 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.928 4.705 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.570 5.297 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.625 3.798 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.085 4.724 -0.111 1.00 0.00 H new ATOM 251 N TYR A 16 -1.560 5.350 -2.059 1.00 0.00 N ATOM 252 CA TYR A 16 -2.806 5.018 -2.742 1.00 0.00 C ATOM 253 C TYR A 16 -2.543 4.772 -4.224 1.00 0.00 C ATOM 254 O TYR A 16 -3.052 3.807 -4.808 1.00 0.00 O ATOM 255 CB TYR A 16 -3.794 6.176 -2.573 1.00 0.00 C ATOM 256 CG TYR A 16 -5.066 5.898 -3.337 1.00 0.00 C ATOM 257 CD1 TYR A 16 -5.265 6.467 -4.603 1.00 0.00 C ATOM 258 CD2 TYR A 16 -6.052 5.081 -2.774 1.00 0.00 C ATOM 259 CE1 TYR A 16 -6.454 6.213 -5.303 1.00 0.00 C ATOM 260 CE2 TYR A 16 -7.238 4.830 -3.473 1.00 0.00 C ATOM 261 CZ TYR A 16 -7.439 5.396 -4.738 1.00 0.00 C ATOM 262 OH TYR A 16 -8.606 5.144 -5.426 1.00 0.00 O ATOM 0 H TYR A 16 -1.548 6.275 -1.630 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.227 4.111 -2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.021 6.318 -1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.343 7.102 -2.929 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.505 7.099 -5.038 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.898 4.643 -1.799 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.609 6.649 -6.279 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.999 4.200 -3.037 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.181 4.558 -4.891 1.00 0.00 H new ATOM 272 N ASN A 17 -1.753 5.652 -4.820 1.00 0.00 N ATOM 273 CA ASN A 17 -1.426 5.524 -6.239 1.00 0.00 C ATOM 274 C ASN A 17 -0.677 4.223 -6.495 1.00 0.00 C ATOM 275 O ASN A 17 -0.959 3.512 -7.458 1.00 0.00 O ATOM 276 CB ASN A 17 -0.571 6.711 -6.696 1.00 0.00 C ATOM 277 CG ASN A 17 -0.233 6.581 -8.177 1.00 0.00 C ATOM 278 OD1 ASN A 17 -1.057 6.120 -8.968 1.00 0.00 O ATOM 279 ND2 ASN A 17 0.940 6.966 -8.607 1.00 0.00 N ATOM 0 H ASN A 17 -1.329 6.454 -4.354 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.356 5.515 -6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.107 7.643 -6.519 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.346 6.754 -6.109 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.172 6.885 -9.597 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.623 7.348 -7.953 1.00 0.00 H new ATOM 286 N TRP A 18 0.279 3.911 -5.629 1.00 0.00 N ATOM 287 CA TRP A 18 1.055 2.686 -5.776 1.00 0.00 C ATOM 288 C TRP A 18 0.139 1.462 -5.744 1.00 0.00 C ATOM 289 O TRP A 18 0.318 0.542 -6.541 1.00 0.00 O ATOM 290 CB TRP A 18 2.100 2.595 -4.657 1.00 0.00 C ATOM 291 CG TRP A 18 2.657 1.203 -4.581 1.00 0.00 C ATOM 292 CD1 TRP A 18 2.167 0.221 -3.789 1.00 0.00 C ATOM 293 CD2 TRP A 18 3.790 0.627 -5.293 1.00 0.00 C ATOM 294 NE1 TRP A 18 2.914 -0.925 -3.985 1.00 0.00 N ATOM 295 CE2 TRP A 18 3.925 -0.726 -4.900 1.00 0.00 C ATOM 296 CE3 TRP A 18 4.699 1.140 -6.236 1.00 0.00 C ATOM 297 CZ2 TRP A 18 4.923 -1.544 -5.424 1.00 0.00 C ATOM 298 CZ3 TRP A 18 5.710 0.319 -6.765 1.00 0.00 C ATOM 299 CH2 TRP A 18 5.821 -1.023 -6.361 1.00 0.00 C ATOM 0 H TRP A 18 0.534 4.483 -4.824 1.00 0.00 H new ATOM 0 HA TRP A 18 1.564 2.708 -6.739 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.904 3.307 -4.842 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.647 2.866 -3.703 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.329 0.317 -3.114 1.00 0.00 H new ATOM 0 HE1 TRP A 18 2.738 -1.810 -3.510 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.620 2.169 -6.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 5.003 -2.574 -5.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 6.406 0.722 -7.486 1.00 0.00 H new ATOM 0 HH2 TRP A 18 6.598 -1.650 -6.773 1.00 0.00 H new ATOM 310 N ALA A 19 -0.801 1.446 -4.799 1.00 0.00 N ATOM 311 CA ALA A 19 -1.716 0.317 -4.658 1.00 0.00 C ATOM 312 C ALA A 19 -2.551 0.151 -5.919 1.00 0.00 C ATOM 313 O ALA A 19 -2.752 -0.966 -6.402 1.00 0.00 O ATOM 314 CB ALA A 19 -2.644 0.550 -3.461 1.00 0.00 C ATOM 0 H ALA A 19 -0.947 2.197 -4.125 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.131 -0.588 -4.498 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.325 -0.295 -3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.049 0.648 -2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.219 1.463 -3.618 1.00 0.00 H new ATOM 320 N LYS A 20 -3.034 1.263 -6.454 1.00 0.00 N ATOM 321 CA LYS A 20 -3.844 1.220 -7.668 1.00 0.00 C ATOM 322 C LYS A 20 -3.033 0.683 -8.845 1.00 0.00 C ATOM 323 O LYS A 20 -3.523 -0.124 -9.636 1.00 0.00 O ATOM 324 CB LYS A 20 -4.363 2.617 -8.009 1.00 0.00 C ATOM 325 CG LYS A 20 -5.304 2.538 -9.218 1.00 0.00 C ATOM 326 CD LYS A 20 -5.869 3.925 -9.518 1.00 0.00 C ATOM 327 CE LYS A 20 -6.818 3.834 -10.715 1.00 0.00 C ATOM 328 NZ LYS A 20 -7.401 5.178 -10.983 1.00 0.00 N ATOM 0 H LYS A 20 -2.883 2.197 -6.074 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.686 0.553 -7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.890 3.039 -7.153 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.528 3.282 -8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.766 2.158 -10.086 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.116 1.840 -9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.399 4.311 -8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.059 4.622 -9.733 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.281 3.476 -11.593 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.611 3.115 -10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.047 5.120 -11.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.926 5.502 -10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.637 5.852 -11.194 1.00 0.00 H new ATOM 342 N SER A 21 -1.798 1.160 -8.962 1.00 0.00 N ATOM 343 CA SER A 21 -0.912 0.760 -10.050 1.00 0.00 C ATOM 344 C SER A 21 -0.572 -0.732 -10.002 1.00 0.00 C ATOM 345 O SER A 21 -0.548 -1.397 -11.037 1.00 0.00 O ATOM 346 CB SER A 21 0.373 1.577 -9.979 1.00 0.00 C ATOM 347 OG SER A 21 1.223 1.221 -11.058 1.00 0.00 O ATOM 0 H SER A 21 -1.386 1.829 -8.312 1.00 0.00 H new ATOM 0 HA SER A 21 -1.434 0.947 -10.989 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.142 2.641 -10.021 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.878 1.397 -9.030 1.00 0.00 H new ATOM 0 HG SER A 21 2.048 1.748 -11.012 1.00 0.00 H new ATOM 353 N HIS A 22 -0.289 -1.256 -8.804 1.00 0.00 N ATOM 354 CA HIS A 22 0.066 -2.674 -8.659 1.00 0.00 C ATOM 355 C HIS A 22 -0.766 -3.330 -7.565 1.00 0.00 C ATOM 356 O HIS A 22 -0.348 -3.412 -6.410 1.00 0.00 O ATOM 357 CB HIS A 22 1.558 -2.811 -8.320 1.00 0.00 C ATOM 358 CG HIS A 22 2.376 -2.472 -9.534 1.00 0.00 C ATOM 359 ND1 HIS A 22 2.643 -1.163 -9.895 1.00 0.00 N ATOM 360 CD2 HIS A 22 2.985 -3.256 -10.484 1.00 0.00 C ATOM 361 CE1 HIS A 22 3.381 -1.195 -11.019 1.00 0.00 C ATOM 362 NE2 HIS A 22 3.619 -2.446 -11.421 1.00 0.00 N ATOM 0 H HIS A 22 -0.298 -0.729 -7.931 1.00 0.00 H new ATOM 0 HA HIS A 22 -0.140 -3.175 -9.605 1.00 0.00 H new ATOM 0 HB2 HIS A 22 1.818 -2.147 -7.495 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.776 -3.827 -7.992 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.973 -4.336 -10.501 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.738 -0.315 -11.534 1.00 0.00 H new ATOM 0 HE2 HIS A 22 4.151 -2.744 -12.239 1.00 0.00 H new ATOM 371 N VAL A 23 -1.948 -3.802 -7.939 1.00 0.00 N ATOM 372 CA VAL A 23 -2.835 -4.455 -6.995 1.00 0.00 C ATOM 373 C VAL A 23 -2.273 -5.810 -6.559 1.00 0.00 C ATOM 374 O VAL A 23 -2.612 -6.305 -5.491 1.00 0.00 O ATOM 375 CB VAL A 23 -4.221 -4.635 -7.624 1.00 0.00 C ATOM 376 CG1 VAL A 23 -5.253 -4.811 -6.514 1.00 0.00 C ATOM 377 CG2 VAL A 23 -4.575 -3.401 -8.467 1.00 0.00 C ATOM 0 H VAL A 23 -2.312 -3.743 -8.890 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.920 -3.825 -6.110 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.218 -5.515 -8.267 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.242 -4.940 -6.954 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.003 -5.690 -5.920 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.253 -3.929 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.561 -3.535 -8.912 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.581 -2.516 -7.831 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.835 -3.276 -9.257 1.00 0.00 H new ATOM 387 N GLY A 24 -1.442 -6.413 -7.391 1.00 0.00 N ATOM 388 CA GLY A 24 -0.880 -7.719 -7.059 1.00 0.00 C ATOM 389 C GLY A 24 -0.081 -7.658 -5.755 1.00 0.00 C ATOM 390 O GLY A 24 -0.258 -8.489 -4.878 1.00 0.00 O ATOM 0 H GLY A 24 -1.143 -6.031 -8.288 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.683 -8.450 -6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.235 -8.058 -7.869 1.00 0.00 H new ATOM 394 N LYS A 25 0.784 -6.677 -5.631 1.00 0.00 N ATOM 395 CA LYS A 25 1.604 -6.538 -4.425 1.00 0.00 C ATOM 396 C LYS A 25 0.712 -6.298 -3.183 1.00 0.00 C ATOM 397 O LYS A 25 0.986 -6.802 -2.064 1.00 0.00 O ATOM 398 CB LYS A 25 2.598 -5.398 -4.654 1.00 0.00 C ATOM 399 CG LYS A 25 3.607 -5.774 -5.750 1.00 0.00 C ATOM 400 CD LYS A 25 4.572 -6.856 -5.239 1.00 0.00 C ATOM 401 CE LYS A 25 5.847 -6.834 -6.081 1.00 0.00 C ATOM 402 NZ LYS A 25 6.773 -5.793 -5.548 1.00 0.00 N ATOM 0 H LYS A 25 0.945 -5.962 -6.340 1.00 0.00 H new ATOM 0 HA LYS A 25 2.158 -7.456 -4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.062 -4.493 -4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.126 -5.176 -3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.078 -6.136 -6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.169 -4.891 -6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.812 -6.680 -4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.101 -7.837 -5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.329 -7.812 -6.058 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.605 -6.623 -7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.642 -5.776 -6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.311 -4.862 -5.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.012 -6.014 -4.560 1.00 0.00 H new ATOM 416 N VAL A 26 -0.369 -5.540 -3.383 1.00 0.00 N ATOM 417 CA VAL A 26 -1.322 -5.266 -2.308 1.00 0.00 C ATOM 418 C VAL A 26 -1.992 -6.570 -1.882 1.00 0.00 C ATOM 419 O VAL A 26 -2.168 -6.840 -0.694 1.00 0.00 O ATOM 420 CB VAL A 26 -2.385 -4.278 -2.783 1.00 0.00 C ATOM 421 CG1 VAL A 26 -3.473 -4.153 -1.715 1.00 0.00 C ATOM 422 CG2 VAL A 26 -1.741 -2.916 -2.994 1.00 0.00 C ATOM 0 H VAL A 26 -0.604 -5.107 -4.276 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.789 -4.831 -1.462 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.823 -4.632 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.234 -3.448 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.931 -5.128 -1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.031 -3.794 -0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.495 -2.206 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.311 -2.568 -2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.955 -2.997 -3.745 1.00 0.00 H new ATOM 432 N TRP A 27 -2.392 -7.359 -2.868 1.00 0.00 N ATOM 433 CA TRP A 27 -3.037 -8.622 -2.581 1.00 0.00 C ATOM 434 C TRP A 27 -2.099 -9.488 -1.743 1.00 0.00 C ATOM 435 O TRP A 27 -2.560 -10.152 -0.822 1.00 0.00 O ATOM 436 CB TRP A 27 -3.398 -9.356 -3.868 1.00 0.00 C ATOM 437 CG TRP A 27 -4.635 -8.755 -4.453 1.00 0.00 C ATOM 438 CD1 TRP A 27 -4.713 -8.148 -5.658 1.00 0.00 C ATOM 439 CD2 TRP A 27 -5.970 -8.696 -3.880 1.00 0.00 C ATOM 440 NE1 TRP A 27 -6.014 -7.728 -5.864 1.00 0.00 N ATOM 441 CE2 TRP A 27 -6.826 -8.040 -4.793 1.00 0.00 C ATOM 442 CE3 TRP A 27 -6.518 -9.145 -2.663 1.00 0.00 C ATOM 443 CZ2 TRP A 27 -8.178 -7.839 -4.516 1.00 0.00 C ATOM 444 CZ3 TRP A 27 -7.879 -8.944 -2.380 1.00 0.00 C ATOM 445 CH2 TRP A 27 -8.706 -8.290 -3.307 1.00 0.00 C ATOM 0 H TRP A 27 -2.282 -7.147 -3.860 1.00 0.00 H new ATOM 0 HA TRP A 27 -3.957 -8.426 -2.030 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.576 -9.289 -4.581 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.557 -10.415 -3.663 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -3.893 -8.013 -6.348 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.334 -7.247 -6.704 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.888 -9.647 -1.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -8.811 -7.338 -5.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.291 -9.294 -1.445 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -9.751 -8.136 -3.084 1.00 0.00 H new ATOM 456 N GLU A 28 -0.808 -9.487 -2.110 1.00 0.00 N ATOM 457 CA GLU A 28 0.200 -10.284 -1.398 1.00 0.00 C ATOM 458 C GLU A 28 0.159 -10.012 0.095 1.00 0.00 C ATOM 459 O GLU A 28 0.093 -10.940 0.916 1.00 0.00 O ATOM 460 CB GLU A 28 1.642 -9.920 -1.828 1.00 0.00 C ATOM 461 CG GLU A 28 1.941 -10.305 -3.273 1.00 0.00 C ATOM 462 CD GLU A 28 2.024 -11.822 -3.424 1.00 0.00 C ATOM 463 OE1 GLU A 28 1.857 -12.296 -4.535 1.00 0.00 O ATOM 464 OE2 GLU A 28 2.254 -12.485 -2.426 1.00 0.00 O ATOM 0 H GLU A 28 -0.440 -8.945 -2.892 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.037 -11.321 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.794 -8.848 -1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.351 -10.421 -1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.163 -9.912 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.881 -9.852 -3.588 1.00 0.00 H new ATOM 471 N TRP A 29 0.235 -8.729 0.481 1.00 0.00 N ATOM 472 CA TRP A 29 0.244 -8.434 1.924 1.00 0.00 C ATOM 473 C TRP A 29 -1.106 -8.664 2.568 1.00 0.00 C ATOM 474 O TRP A 29 -1.187 -9.093 3.719 1.00 0.00 O ATOM 475 CB TRP A 29 0.775 -7.032 2.182 1.00 0.00 C ATOM 476 CG TRP A 29 2.171 -7.025 1.675 1.00 0.00 C ATOM 477 CD1 TRP A 29 3.187 -7.795 2.132 1.00 0.00 C ATOM 478 CD2 TRP A 29 2.696 -6.279 0.567 1.00 0.00 C ATOM 479 NE1 TRP A 29 4.309 -7.552 1.359 1.00 0.00 N ATOM 480 CE2 TRP A 29 4.053 -6.622 0.381 1.00 0.00 C ATOM 481 CE3 TRP A 29 2.121 -5.339 -0.282 1.00 0.00 C ATOM 482 CZ2 TRP A 29 4.812 -6.054 -0.631 1.00 0.00 C ATOM 483 CZ3 TRP A 29 2.870 -4.765 -1.298 1.00 0.00 C ATOM 484 CH2 TRP A 29 4.220 -5.123 -1.478 1.00 0.00 C ATOM 0 H TRP A 29 0.288 -7.922 -0.141 1.00 0.00 H new ATOM 0 HA TRP A 29 0.925 -9.140 2.401 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.170 -6.285 1.669 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.744 -6.792 3.245 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.131 -8.484 2.962 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.212 -8.006 1.498 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.087 -5.055 -0.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.848 -6.331 -0.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.415 -4.039 -1.955 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.796 -4.675 -2.274 1.00 0.00 H new ATOM 495 N LEU A 30 -2.169 -8.405 1.829 1.00 0.00 N ATOM 496 CA LEU A 30 -3.504 -8.626 2.379 1.00 0.00 C ATOM 497 C LEU A 30 -3.690 -10.111 2.726 1.00 0.00 C ATOM 498 O LEU A 30 -4.237 -10.442 3.778 1.00 0.00 O ATOM 499 CB LEU A 30 -4.594 -8.172 1.388 1.00 0.00 C ATOM 500 CG LEU A 30 -4.961 -6.681 1.592 1.00 0.00 C ATOM 501 CD1 LEU A 30 -5.973 -6.549 2.739 1.00 0.00 C ATOM 502 CD2 LEU A 30 -3.721 -5.830 1.905 1.00 0.00 C ATOM 0 H LEU A 30 -2.144 -8.051 0.873 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.602 -8.030 3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.246 -8.326 0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.484 -8.788 1.517 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.398 -6.315 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.229 -5.499 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.874 -7.112 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.536 -6.942 3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.018 -4.790 2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.250 -6.196 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.014 -5.900 1.078 1.00 0.00 H new ATOM 514 N LYS A 31 -3.233 -11.002 1.846 1.00 0.00 N ATOM 515 CA LYS A 31 -3.358 -12.440 2.093 1.00 0.00 C ATOM 516 C LYS A 31 -2.514 -12.850 3.300 1.00 0.00 C ATOM 517 O LYS A 31 -2.956 -13.630 4.146 1.00 0.00 O ATOM 518 CB LYS A 31 -2.919 -13.235 0.856 1.00 0.00 C ATOM 519 CG LYS A 31 -3.932 -13.035 -0.277 1.00 0.00 C ATOM 520 CD LYS A 31 -3.466 -13.789 -1.528 1.00 0.00 C ATOM 521 CE LYS A 31 -4.492 -13.603 -2.648 1.00 0.00 C ATOM 522 NZ LYS A 31 -4.020 -14.305 -3.879 1.00 0.00 N ATOM 0 H LYS A 31 -2.778 -10.759 0.966 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.404 -12.662 2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.930 -12.908 0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.840 -14.294 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.913 -13.396 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.038 -11.973 -0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.492 -13.418 -1.847 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.345 -14.849 -1.303 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.459 -13.999 -2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.633 -12.542 -2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.718 -14.178 -4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.107 -13.907 -4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.907 -15.319 -3.678 1.00 0.00 H new ATOM 536 N SER A 32 -1.302 -12.316 3.368 1.00 0.00 N ATOM 537 CA SER A 32 -0.397 -12.627 4.474 1.00 0.00 C ATOM 538 C SER A 32 -0.915 -12.028 5.778 1.00 0.00 C ATOM 539 O SER A 32 -0.713 -12.590 6.853 1.00 0.00 O ATOM 540 CB SER A 32 1.006 -12.088 4.194 1.00 0.00 C ATOM 541 OG SER A 32 0.945 -10.674 4.072 1.00 0.00 O ATOM 0 H SER A 32 -0.922 -11.669 2.677 1.00 0.00 H new ATOM 0 HA SER A 32 -0.351 -13.712 4.570 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.684 -12.367 5.001 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.402 -12.528 3.279 1.00 0.00 H new ATOM 0 HG SER A 32 0.022 -10.401 3.887 1.00 0.00 H new ATOM 547 N GLY A 33 -1.580 -10.879 5.676 1.00 0.00 N ATOM 548 CA GLY A 33 -2.118 -10.210 6.858 1.00 0.00 C ATOM 549 C GLY A 33 -1.090 -9.264 7.477 1.00 0.00 C ATOM 550 O GLY A 33 -1.084 -9.050 8.690 1.00 0.00 O ATOM 0 H GLY A 33 -1.758 -10.396 4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.013 -9.650 6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.420 -10.955 7.594 1.00 0.00 H new ATOM 554 N ALA A 34 -0.225 -8.695 6.642 1.00 0.00 N ATOM 555 CA ALA A 34 0.790 -7.771 7.128 1.00 0.00 C ATOM 556 C ALA A 34 0.150 -6.480 7.619 1.00 0.00 C ATOM 557 O ALA A 34 -0.956 -6.118 7.210 1.00 0.00 O ATOM 558 CB ALA A 34 1.807 -7.459 6.020 1.00 0.00 C ATOM 0 H ALA A 34 -0.207 -8.857 5.635 1.00 0.00 H new ATOM 0 HA ALA A 34 1.308 -8.245 7.962 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.558 -6.767 6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.292 -8.382 5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.293 -7.007 5.172 1.00 0.00 H new ATOM 564 N THR A 35 0.859 -5.797 8.507 1.00 0.00 N ATOM 565 CA THR A 35 0.374 -4.547 9.075 1.00 0.00 C ATOM 566 C THR A 35 0.269 -3.479 7.999 1.00 0.00 C ATOM 567 O THR A 35 1.115 -3.386 7.114 1.00 0.00 O ATOM 568 CB THR A 35 1.333 -4.068 10.163 1.00 0.00 C ATOM 569 OG1 THR A 35 2.637 -3.928 9.615 1.00 0.00 O ATOM 570 CG2 THR A 35 1.363 -5.083 11.304 1.00 0.00 C ATOM 0 H THR A 35 1.774 -6.088 8.850 1.00 0.00 H new ATOM 0 HA THR A 35 -0.613 -4.722 9.502 1.00 0.00 H new ATOM 0 HB THR A 35 0.995 -3.106 10.547 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.281 -3.775 10.338 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.048 -4.739 12.079 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.363 -5.188 11.724 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.700 -6.048 10.924 1.00 0.00 H new ATOM 578 N TYR A 36 -0.786 -2.689 8.075 1.00 0.00 N ATOM 579 CA TYR A 36 -0.996 -1.637 7.096 1.00 0.00 C ATOM 580 C TYR A 36 0.201 -0.683 7.088 1.00 0.00 C ATOM 581 O TYR A 36 0.628 -0.213 6.023 1.00 0.00 O ATOM 582 CB TYR A 36 -2.272 -0.866 7.429 1.00 0.00 C ATOM 583 CG TYR A 36 -3.425 -1.831 7.574 1.00 0.00 C ATOM 584 CD1 TYR A 36 -3.792 -2.651 6.503 1.00 0.00 C ATOM 585 CD2 TYR A 36 -4.126 -1.902 8.782 1.00 0.00 C ATOM 586 CE1 TYR A 36 -4.860 -3.540 6.638 1.00 0.00 C ATOM 587 CE2 TYR A 36 -5.192 -2.791 8.918 1.00 0.00 C ATOM 588 CZ TYR A 36 -5.562 -3.609 7.848 1.00 0.00 C ATOM 589 OH TYR A 36 -6.620 -4.477 7.996 1.00 0.00 O ATOM 0 H TYR A 36 -1.504 -2.754 8.796 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.098 -2.087 6.108 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.138 -0.303 8.353 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.487 -0.142 6.643 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.249 -2.597 5.571 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.842 -1.269 9.609 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.144 -4.173 5.811 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.732 -2.847 9.852 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.989 -4.392 8.900 1.00 0.00 H new ATOM 599 N GLU A 37 0.718 -0.397 8.277 1.00 0.00 N ATOM 600 CA GLU A 37 1.856 0.501 8.411 1.00 0.00 C ATOM 601 C GLU A 37 3.085 -0.070 7.709 1.00 0.00 C ATOM 602 O GLU A 37 3.749 0.617 6.939 1.00 0.00 O ATOM 603 CB GLU A 37 2.173 0.710 9.891 1.00 0.00 C ATOM 604 CG GLU A 37 1.026 1.469 10.537 1.00 0.00 C ATOM 605 CD GLU A 37 1.272 1.644 12.029 1.00 0.00 C ATOM 606 OE1 GLU A 37 0.423 2.228 12.679 1.00 0.00 O ATOM 607 OE2 GLU A 37 2.303 1.193 12.501 1.00 0.00 O ATOM 0 H GLU A 37 0.368 -0.773 9.158 1.00 0.00 H new ATOM 0 HA GLU A 37 1.599 1.453 7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.315 -0.251 10.386 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.104 1.267 10.002 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.917 2.445 10.064 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.091 0.931 10.378 1.00 0.00 H new ATOM 614 N GLN A 38 3.380 -1.334 7.962 1.00 0.00 N ATOM 615 CA GLN A 38 4.541 -1.965 7.335 1.00 0.00 C ATOM 616 C GLN A 38 4.392 -1.949 5.819 1.00 0.00 C ATOM 617 O GLN A 38 5.381 -1.746 5.088 1.00 0.00 O ATOM 618 CB GLN A 38 4.692 -3.406 7.830 1.00 0.00 C ATOM 619 CG GLN A 38 5.891 -4.067 7.148 1.00 0.00 C ATOM 620 CD GLN A 38 6.087 -5.469 7.717 1.00 0.00 C ATOM 621 OE1 GLN A 38 5.197 -6.314 7.603 1.00 0.00 O ATOM 622 NE2 GLN A 38 7.206 -5.774 8.316 1.00 0.00 N ATOM 0 H GLN A 38 2.845 -1.939 8.585 1.00 0.00 H new ATOM 0 HA GLN A 38 5.434 -1.403 7.609 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.827 -3.416 8.912 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.784 -3.970 7.616 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.728 -4.119 6.071 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.789 -3.469 7.306 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.942 -5.074 8.410 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.345 -6.713 8.690 1.00 0.00 H new ATOM 631 N ILE A 39 3.160 -2.185 5.356 1.00 0.00 N ATOM 632 CA ILE A 39 2.874 -2.204 3.929 1.00 0.00 C ATOM 633 C ILE A 39 3.162 -0.844 3.290 1.00 0.00 C ATOM 634 O ILE A 39 3.844 -0.783 2.258 1.00 0.00 O ATOM 635 CB ILE A 39 1.415 -2.611 3.684 1.00 0.00 C ATOM 636 CG1 ILE A 39 1.231 -4.094 4.052 1.00 0.00 C ATOM 637 CG2 ILE A 39 1.047 -2.396 2.215 1.00 0.00 C ATOM 638 CD1 ILE A 39 -0.252 -4.481 4.040 1.00 0.00 C ATOM 0 H ILE A 39 2.351 -2.364 5.951 1.00 0.00 H new ATOM 0 HA ILE A 39 3.529 -2.940 3.463 1.00 0.00 H new ATOM 0 HB ILE A 39 0.763 -1.995 4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.780 -4.718 3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.652 -4.283 5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.009 -2.688 2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.172 -1.344 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.697 -3.002 1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.355 -5.534 4.303 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.793 -3.871 4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.664 -4.314 3.045 1.00 0.00 H new ATOM 650 N LYS A 40 2.687 0.261 3.888 1.00 0.00 N ATOM 651 CA LYS A 40 3.002 1.545 3.272 1.00 0.00 C ATOM 652 C LYS A 40 4.484 1.805 3.369 1.00 0.00 C ATOM 653 O LYS A 40 5.001 2.453 2.492 1.00 0.00 O ATOM 654 CB LYS A 40 2.272 2.763 3.828 1.00 0.00 C ATOM 655 CG LYS A 40 2.482 2.871 5.328 1.00 0.00 C ATOM 656 CD LYS A 40 2.074 4.273 5.785 1.00 0.00 C ATOM 657 CE LYS A 40 2.467 4.473 7.246 1.00 0.00 C ATOM 658 NZ LYS A 40 1.504 3.777 8.141 1.00 0.00 N ATOM 0 H LYS A 40 2.123 0.291 4.737 1.00 0.00 H new ATOM 0 HA LYS A 40 2.654 1.435 2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.635 3.667 3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.207 2.687 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.889 2.118 5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.526 2.682 5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.559 5.024 5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.999 4.406 5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.473 4.089 7.415 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.488 5.537 7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.156 4.442 8.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.703 3.423 7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.979 2.979 8.608 1.00 0.00 H new ATOM 672 N GLU A 41 5.123 1.365 4.455 1.00 0.00 N ATOM 673 CA GLU A 41 6.545 1.603 4.624 1.00 0.00 C ATOM 674 C GLU A 41 7.309 1.024 3.449 1.00 0.00 C ATOM 675 O GLU A 41 8.126 1.717 2.840 1.00 0.00 O ATOM 676 CB GLU A 41 7.044 0.965 5.916 1.00 0.00 C ATOM 677 CG GLU A 41 8.537 1.267 6.105 1.00 0.00 C ATOM 678 CD GLU A 41 9.014 0.685 7.429 1.00 0.00 C ATOM 679 OE1 GLU A 41 10.216 0.563 7.603 1.00 0.00 O ATOM 680 OE2 GLU A 41 8.171 0.373 8.251 1.00 0.00 O ATOM 0 H GLU A 41 4.680 0.850 5.216 1.00 0.00 H new ATOM 0 HA GLU A 41 6.711 2.679 4.673 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.476 1.348 6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.883 -0.113 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.111 0.842 5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.705 2.344 6.088 1.00 0.00 H new ATOM 687 N TRP A 42 7.038 -0.225 3.109 1.00 0.00 N ATOM 688 CA TRP A 42 7.738 -0.828 1.978 1.00 0.00 C ATOM 689 C TRP A 42 7.407 -0.076 0.696 1.00 0.00 C ATOM 690 O TRP A 42 8.271 0.162 -0.150 1.00 0.00 O ATOM 691 CB TRP A 42 7.334 -2.300 1.812 1.00 0.00 C ATOM 692 CG TRP A 42 7.814 -3.155 2.953 1.00 0.00 C ATOM 693 CD1 TRP A 42 8.997 -3.048 3.624 1.00 0.00 C ATOM 694 CD2 TRP A 42 7.119 -4.278 3.554 1.00 0.00 C ATOM 695 NE1 TRP A 42 9.051 -4.042 4.591 1.00 0.00 N ATOM 696 CE2 TRP A 42 7.915 -4.819 4.587 1.00 0.00 C ATOM 697 CE3 TRP A 42 5.875 -4.870 3.300 1.00 0.00 C ATOM 698 CZ2 TRP A 42 7.493 -5.912 5.340 1.00 0.00 C ATOM 699 CZ3 TRP A 42 5.441 -5.968 4.055 1.00 0.00 C ATOM 700 CH2 TRP A 42 6.250 -6.488 5.076 1.00 0.00 C ATOM 0 H TRP A 42 6.362 -0.828 3.579 1.00 0.00 H new ATOM 0 HA TRP A 42 8.809 -0.770 2.174 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.249 -2.371 1.739 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.742 -2.683 0.877 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.764 -2.312 3.434 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.837 -4.180 5.227 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.245 -4.477 2.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.123 -6.310 6.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.480 -6.416 3.850 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.911 -7.333 5.657 1.00 0.00 H new ATOM 711 N ILE A 43 6.147 0.298 0.552 1.00 0.00 N ATOM 712 CA ILE A 43 5.718 1.009 -0.650 1.00 0.00 C ATOM 713 C ILE A 43 6.401 2.363 -0.800 1.00 0.00 C ATOM 714 O ILE A 43 6.858 2.715 -1.882 1.00 0.00 O ATOM 715 CB ILE A 43 4.210 1.210 -0.617 1.00 0.00 C ATOM 716 CG1 ILE A 43 3.526 -0.137 -0.780 1.00 0.00 C ATOM 717 CG2 ILE A 43 3.781 2.115 -1.762 1.00 0.00 C ATOM 718 CD1 ILE A 43 2.034 0.001 -0.484 1.00 0.00 C ATOM 0 H ILE A 43 5.411 0.127 1.237 1.00 0.00 H new ATOM 0 HA ILE A 43 6.004 0.397 -1.505 1.00 0.00 H new ATOM 0 HB ILE A 43 3.931 1.666 0.333 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.672 -0.509 -1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.974 -0.867 -0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.700 2.254 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.274 3.082 -1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.061 1.658 -2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.548 -0.968 -0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.897 0.353 0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.590 0.716 -1.177 1.00 0.00 H new ATOM 730 N GLU A 44 6.471 3.130 0.272 1.00 0.00 N ATOM 731 CA GLU A 44 7.087 4.431 0.186 1.00 0.00 C ATOM 732 C GLU A 44 8.587 4.284 -0.070 1.00 0.00 C ATOM 733 O GLU A 44 9.135 5.063 -0.840 1.00 0.00 O ATOM 734 CB GLU A 44 6.728 5.322 1.408 1.00 0.00 C ATOM 735 CG GLU A 44 7.321 4.789 2.734 1.00 0.00 C ATOM 736 CD GLU A 44 8.158 5.852 3.448 1.00 0.00 C ATOM 737 OE1 GLU A 44 9.325 5.986 3.109 1.00 0.00 O ATOM 738 OE2 GLU A 44 7.626 6.508 4.327 1.00 0.00 O ATOM 0 H GLU A 44 6.115 2.877 1.194 1.00 0.00 H new ATOM 0 HA GLU A 44 6.679 4.968 -0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.093 6.334 1.233 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.644 5.385 1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.513 4.462 3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.940 3.915 2.530 1.00 0.00 H new ATOM 745 N ASN A 45 9.240 3.273 0.523 1.00 0.00 N ATOM 746 CA ASN A 45 10.665 3.067 0.266 1.00 0.00 C ATOM 747 C ASN A 45 10.899 2.767 -1.223 1.00 0.00 C ATOM 748 O ASN A 45 11.825 3.305 -1.838 1.00 0.00 O ATOM 749 CB ASN A 45 11.195 1.911 1.123 1.00 0.00 C ATOM 750 CG ASN A 45 12.666 1.651 0.803 1.00 0.00 C ATOM 751 OD1 ASN A 45 12.986 0.678 0.121 1.00 0.00 O ATOM 752 ND2 ASN A 45 13.587 2.458 1.261 1.00 0.00 N ATOM 0 H ASN A 45 8.815 2.605 1.166 1.00 0.00 H new ATOM 0 HA ASN A 45 11.202 3.978 0.530 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.082 2.150 2.180 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.609 1.011 0.935 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.570 2.281 1.053 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.323 3.265 1.826 1.00 0.00 H new ATOM 759 N ALA A 46 10.040 1.925 -1.807 1.00 0.00 N ATOM 760 CA ALA A 46 10.172 1.594 -3.229 1.00 0.00 C ATOM 761 C ALA A 46 9.957 2.847 -4.079 1.00 0.00 C ATOM 762 O ALA A 46 10.681 3.085 -5.041 1.00 0.00 O ATOM 763 CB ALA A 46 9.156 0.521 -3.633 1.00 0.00 C ATOM 0 H ALA A 46 9.262 1.469 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 46 11.177 1.207 -3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.272 0.291 -4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.326 -0.381 -3.045 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.146 0.889 -3.450 1.00 0.00 H new ATOM 769 N LEU A 47 8.954 3.641 -3.710 1.00 0.00 N ATOM 770 CA LEU A 47 8.637 4.866 -4.437 1.00 0.00 C ATOM 771 C LEU A 47 9.848 5.809 -4.434 1.00 0.00 C ATOM 772 O LEU A 47 10.197 6.382 -5.468 1.00 0.00 O ATOM 773 CB LEU A 47 7.438 5.551 -3.755 1.00 0.00 C ATOM 774 CG LEU A 47 6.625 6.402 -4.752 1.00 0.00 C ATOM 775 CD1 LEU A 47 7.555 7.307 -5.561 1.00 0.00 C ATOM 776 CD2 LEU A 47 5.841 5.499 -5.715 1.00 0.00 C ATOM 0 H LEU A 47 8.347 3.457 -2.911 1.00 0.00 H new ATOM 0 HA LEU A 47 8.387 4.625 -5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.791 4.795 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.794 6.184 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 47 5.927 7.015 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.967 7.901 -6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.095 7.971 -4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.267 6.695 -6.115 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.273 6.116 -6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.536 4.870 -6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.156 4.869 -5.147 1.00 0.00 H new ATOM 788 N GLY A 48 10.494 5.968 -3.278 1.00 0.00 N ATOM 789 CA GLY A 48 11.657 6.841 -3.189 1.00 0.00 C ATOM 790 C GLY A 48 12.769 6.350 -4.113 1.00 0.00 C ATOM 791 O GLY A 48 13.428 7.146 -4.785 1.00 0.00 O ATOM 0 H GLY A 48 10.234 5.510 -2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.376 7.859 -3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.018 6.871 -2.161 1.00 0.00 H new ATOM 795 N TRP A 49 12.968 5.034 -4.134 1.00 0.00 N ATOM 796 CA TRP A 49 14.000 4.432 -4.977 1.00 0.00 C ATOM 797 C TRP A 49 13.423 4.036 -6.335 1.00 0.00 C ATOM 798 O TRP A 49 12.210 4.001 -6.511 1.00 0.00 O ATOM 799 CB TRP A 49 14.578 3.195 -4.285 1.00 0.00 C ATOM 800 CG TRP A 49 15.410 3.628 -3.120 1.00 0.00 C ATOM 801 CD1 TRP A 49 15.043 3.529 -1.820 1.00 0.00 C ATOM 802 CD2 TRP A 49 16.736 4.231 -3.126 1.00 0.00 C ATOM 803 NE1 TRP A 49 16.062 4.029 -1.028 1.00 0.00 N ATOM 804 CE2 TRP A 49 17.127 4.475 -1.786 1.00 0.00 C ATOM 805 CE3 TRP A 49 17.630 4.585 -4.151 1.00 0.00 C ATOM 806 CZ2 TRP A 49 18.360 5.051 -1.477 1.00 0.00 C ATOM 807 CZ3 TRP A 49 18.871 5.167 -3.842 1.00 0.00 C ATOM 808 CH2 TRP A 49 19.234 5.399 -2.509 1.00 0.00 C ATOM 0 H TRP A 49 12.432 4.366 -3.580 1.00 0.00 H new ATOM 0 HA TRP A 49 14.790 5.166 -5.133 1.00 0.00 H new ATOM 0 HB2 TRP A 49 13.773 2.542 -3.949 1.00 0.00 H new ATOM 0 HB3 TRP A 49 15.183 2.621 -4.986 1.00 0.00 H new ATOM 0 HD1 TRP A 49 14.108 3.126 -1.460 1.00 0.00 H new ATOM 0 HE1 TRP A 49 16.030 4.064 -0.009 1.00 0.00 H new ATOM 0 HE3 TRP A 49 17.362 4.409 -5.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 18.636 5.226 -0.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 19.550 5.437 -4.638 1.00 0.00 H new ATOM 0 HH2 TRP A 49 20.190 5.847 -2.280 1.00 0.00 H new ATOM 819 N ARG A 50 14.300 3.748 -7.291 1.00 0.00 N ATOM 820 CA ARG A 50 13.854 3.362 -8.627 1.00 0.00 C ATOM 821 C ARG A 50 12.595 2.504 -8.545 1.00 0.00 C ATOM 822 O ARG A 50 12.726 1.318 -8.292 1.00 0.00 O ATOM 823 CB ARG A 50 14.950 2.581 -9.352 1.00 0.00 C ATOM 824 CG ARG A 50 14.478 2.270 -10.776 1.00 0.00 C ATOM 825 CD ARG A 50 15.565 1.510 -11.537 1.00 0.00 C ATOM 826 NE ARG A 50 16.721 2.368 -11.768 1.00 0.00 N ATOM 827 CZ ARG A 50 17.819 1.899 -12.350 1.00 0.00 C ATOM 828 NH1 ARG A 50 18.846 2.683 -12.536 1.00 0.00 N ATOM 829 NH2 ARG A 50 17.868 0.656 -12.744 1.00 0.00 N ATOM 830 OXT ARG A 50 11.519 3.045 -8.743 1.00 0.00 O ATOM 0 H ARG A 50 15.312 3.774 -7.169 1.00 0.00 H new ATOM 0 HA ARG A 50 13.632 4.273 -9.183 1.00 0.00 H new ATOM 0 HB2 ARG A 50 15.872 3.162 -9.379 1.00 0.00 H new ATOM 0 HB3 ARG A 50 15.171 1.657 -8.818 1.00 0.00 H new ATOM 0 HG2 ARG A 50 13.564 1.677 -10.743 1.00 0.00 H new ATOM 0 HG3 ARG A 50 14.238 3.196 -11.298 1.00 0.00 H new ATOM 0 HD2 ARG A 50 15.866 0.629 -10.970 1.00 0.00 H new ATOM 0 HD3 ARG A 50 15.171 1.156 -12.490 1.00 0.00 H new ATOM 0 HE ARG A 50 16.686 3.345 -11.478 1.00 0.00 H new ATOM 0 HH11 ARG A 50 18.806 3.657 -12.234 1.00 0.00 H new ATOM 0 HH12 ARG A 50 19.689 2.322 -12.983 1.00 0.00 H new ATOM 0 HH21 ARG A 50 17.063 0.045 -12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 50 18.711 0.296 -13.191 1.00 0.00 H new TER 844 ARG A 50