USER MOD reduce.3.24.130724 H: found=0, std=0, add=340, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 338 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 NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0707 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0846 K(o=-0.085,f=-1.9!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= -0.032 (180deg=-0.238) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -119:sc= -0.0947 (180deg=-1.76!) USER MOD Single : A 16 ASN : amide:sc= 0.68 K(o=0.68,f=-4.2!) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= -0.0514 (180deg=-0.26) USER MOD Single : A 20 LYS NZ :NH3+ 159:sc= -0.069 (180deg=-0.437) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 76:sc= 0.187 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 42:sc= 0.788 USER MOD Single : A 40 LYS NZ :NH3+ -131:sc= -0.0209 (180deg=-0.829) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.377 -1.614 -32.296 1.00 0.00 N ATOM 2 CA GLY A 1 -13.971 -1.353 -30.997 1.00 0.00 C ATOM 3 C GLY A 1 -13.077 -1.791 -29.853 1.00 0.00 C ATOM 4 O GLY A 1 -11.989 -2.322 -30.075 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.284 -0.721 -32.821 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.437 -2.040 -32.169 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.984 -2.268 -32.830 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.180 -0.287 -30.904 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.927 -1.872 -30.927 1.00 0.00 H new ATOM 8 N SER A 2 -13.536 -1.565 -28.627 1.00 0.00 N ATOM 9 CA SER A 2 -12.768 -1.934 -27.443 1.00 0.00 C ATOM 10 C SER A 2 -13.495 -3.006 -26.637 1.00 0.00 C ATOM 11 O SER A 2 -14.308 -2.698 -25.765 1.00 0.00 O ATOM 12 CB SER A 2 -12.517 -0.705 -26.568 1.00 0.00 C ATOM 13 OG SER A 2 -11.460 0.084 -27.088 1.00 0.00 O ATOM 0 H SER A 2 -14.436 -1.128 -28.427 1.00 0.00 H new ATOM 0 HA SER A 2 -11.811 -2.338 -27.773 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.426 -0.106 -26.507 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.274 -1.020 -25.553 1.00 0.00 H new ATOM 0 HG SER A 2 -11.320 0.864 -26.512 1.00 0.00 H new ATOM 19 N SER A 3 -13.196 -4.266 -26.935 1.00 0.00 N ATOM 20 CA SER A 3 -13.823 -5.385 -26.241 1.00 0.00 C ATOM 21 C SER A 3 -13.622 -5.271 -24.733 1.00 0.00 C ATOM 22 O SER A 3 -14.563 -5.427 -23.956 1.00 0.00 O ATOM 23 CB SER A 3 -13.248 -6.711 -26.744 1.00 0.00 C ATOM 24 OG SER A 3 -11.832 -6.701 -26.704 1.00 0.00 O ATOM 0 H SER A 3 -12.524 -4.538 -27.652 1.00 0.00 H new ATOM 0 HA SER A 3 -14.892 -5.357 -26.451 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.626 -7.530 -26.133 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.585 -6.893 -27.765 1.00 0.00 H new ATOM 0 HG SER A 3 -11.489 -7.560 -27.029 1.00 0.00 H new ATOM 30 N GLY A 4 -12.386 -4.996 -24.325 1.00 0.00 N ATOM 31 CA GLY A 4 -12.083 -4.865 -22.912 1.00 0.00 C ATOM 32 C GLY A 4 -11.554 -6.153 -22.311 1.00 0.00 C ATOM 33 O GLY A 4 -12.171 -6.725 -21.413 1.00 0.00 O ATOM 0 H GLY A 4 -11.590 -4.862 -24.948 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.347 -4.073 -22.773 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.983 -4.561 -22.377 1.00 0.00 H new ATOM 37 N SER A 5 -10.410 -6.610 -22.808 1.00 0.00 N ATOM 38 CA SER A 5 -9.801 -7.841 -22.318 1.00 0.00 C ATOM 39 C SER A 5 -9.305 -7.669 -20.885 1.00 0.00 C ATOM 40 O SER A 5 -8.142 -7.340 -20.654 1.00 0.00 O ATOM 41 CB SER A 5 -8.641 -8.257 -23.224 1.00 0.00 C ATOM 42 OG SER A 5 -9.116 -8.823 -24.434 1.00 0.00 O ATOM 0 H SER A 5 -9.886 -6.146 -23.550 1.00 0.00 H new ATOM 0 HA SER A 5 -10.561 -8.623 -22.330 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.019 -7.390 -23.444 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.010 -8.978 -22.704 1.00 0.00 H new ATOM 0 HG SER A 5 -8.355 -9.079 -24.996 1.00 0.00 H new ATOM 48 N SER A 6 -10.198 -7.893 -19.926 1.00 0.00 N ATOM 49 CA SER A 6 -9.854 -7.760 -18.515 1.00 0.00 C ATOM 50 C SER A 6 -10.769 -8.621 -17.650 1.00 0.00 C ATOM 51 O SER A 6 -11.940 -8.819 -17.970 1.00 0.00 O ATOM 52 CB SER A 6 -9.952 -6.296 -18.081 1.00 0.00 C ATOM 53 OG SER A 6 -9.365 -6.102 -16.806 1.00 0.00 O ATOM 0 H SER A 6 -11.165 -8.167 -20.100 1.00 0.00 H new ATOM 0 HA SER A 6 -8.828 -8.103 -18.382 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.454 -5.662 -18.814 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.998 -5.991 -18.054 1.00 0.00 H new ATOM 0 HG SER A 6 -9.439 -5.158 -16.552 1.00 0.00 H new ATOM 59 N GLY A 7 -10.223 -9.131 -16.550 1.00 0.00 N ATOM 60 CA GLY A 7 -11.003 -9.966 -15.654 1.00 0.00 C ATOM 61 C GLY A 7 -10.423 -10.013 -14.254 1.00 0.00 C ATOM 62 O GLY A 7 -9.910 -11.045 -13.823 1.00 0.00 O ATOM 0 H GLY A 7 -9.256 -8.981 -16.263 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.025 -9.589 -15.608 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.054 -10.977 -16.057 1.00 0.00 H new ATOM 66 N GLN A 8 -10.503 -8.892 -13.544 1.00 0.00 N ATOM 67 CA GLN A 8 -9.980 -8.810 -12.185 1.00 0.00 C ATOM 68 C GLN A 8 -11.086 -9.038 -11.161 1.00 0.00 C ATOM 69 O GLN A 8 -11.750 -8.097 -10.728 1.00 0.00 O ATOM 70 CB GLN A 8 -9.324 -7.448 -11.951 1.00 0.00 C ATOM 71 CG GLN A 8 -7.920 -7.342 -12.524 1.00 0.00 C ATOM 72 CD GLN A 8 -7.528 -5.915 -12.849 1.00 0.00 C ATOM 73 OE1 GLN A 8 -8.312 -4.984 -12.656 1.00 0.00 O ATOM 74 NE2 GLN A 8 -6.311 -5.733 -13.347 1.00 0.00 N ATOM 0 H GLN A 8 -10.925 -8.029 -13.887 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.231 -9.592 -12.063 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.948 -6.672 -12.395 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.286 -7.252 -10.879 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.208 -7.756 -11.810 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.854 -7.948 -13.428 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.694 -6.532 -13.491 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.993 -4.794 -13.586 1.00 0.00 H new ATOM 83 N LYS A 9 -11.280 -10.296 -10.777 1.00 0.00 N ATOM 84 CA LYS A 9 -12.305 -10.649 -9.802 1.00 0.00 C ATOM 85 C LYS A 9 -11.982 -10.057 -8.434 1.00 0.00 C ATOM 86 O LYS A 9 -12.759 -9.273 -7.889 1.00 0.00 O ATOM 87 CB LYS A 9 -12.432 -12.170 -9.694 1.00 0.00 C ATOM 88 CG LYS A 9 -12.855 -12.839 -10.990 1.00 0.00 C ATOM 89 CD LYS A 9 -14.364 -12.809 -11.167 1.00 0.00 C ATOM 90 CE LYS A 9 -15.050 -13.834 -10.277 1.00 0.00 C ATOM 91 NZ LYS A 9 -15.017 -15.198 -10.875 1.00 0.00 N ATOM 0 H LYS A 9 -10.740 -11.088 -11.127 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.254 -10.234 -10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.475 -12.584 -9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.157 -12.411 -8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.379 -12.336 -11.832 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.507 -13.872 -10.997 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.739 -11.813 -10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.613 -13.006 -12.210 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.563 -13.853 -9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.085 -13.535 -10.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.494 -15.868 -10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.504 -15.186 -11.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.029 -15.494 -11.011 1.00 0.00 H new ATOM 105 N GLU A 10 -10.832 -10.436 -7.886 1.00 0.00 N ATOM 106 CA GLU A 10 -10.408 -9.940 -6.582 1.00 0.00 C ATOM 107 C GLU A 10 -9.961 -8.484 -6.672 1.00 0.00 C ATOM 108 O GLU A 10 -9.732 -7.959 -7.762 1.00 0.00 O ATOM 109 CB GLU A 10 -9.269 -10.801 -6.030 1.00 0.00 C ATOM 110 CG GLU A 10 -7.963 -10.642 -6.790 1.00 0.00 C ATOM 111 CD GLU A 10 -6.990 -11.774 -6.521 1.00 0.00 C ATOM 112 OE1 GLU A 10 -6.834 -12.155 -5.342 1.00 0.00 O ATOM 113 OE2 GLU A 10 -6.385 -12.278 -7.490 1.00 0.00 O ATOM 0 H GLU A 10 -10.178 -11.084 -8.324 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.260 -9.999 -5.905 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.104 -10.544 -4.984 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.570 -11.848 -6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.172 -10.594 -7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.499 -9.695 -6.513 1.00 0.00 H new ATOM 120 N LYS A 11 -9.839 -7.836 -5.518 1.00 0.00 N ATOM 121 CA LYS A 11 -9.420 -6.441 -5.464 1.00 0.00 C ATOM 122 C LYS A 11 -7.906 -6.334 -5.306 1.00 0.00 C ATOM 123 O LYS A 11 -7.338 -6.823 -4.330 1.00 0.00 O ATOM 124 CB LYS A 11 -10.116 -5.722 -4.306 1.00 0.00 C ATOM 125 CG LYS A 11 -11.586 -5.439 -4.562 1.00 0.00 C ATOM 126 CD LYS A 11 -12.196 -4.608 -3.446 1.00 0.00 C ATOM 127 CE LYS A 11 -12.011 -3.119 -3.694 1.00 0.00 C ATOM 128 NZ LYS A 11 -12.863 -2.633 -4.814 1.00 0.00 N ATOM 0 H LYS A 11 -10.025 -8.256 -4.607 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.705 -5.965 -6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.023 -6.328 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.602 -4.781 -4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.697 -4.913 -5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.128 -6.380 -4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.259 -4.834 -3.362 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.736 -4.879 -2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.255 -2.567 -2.786 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.964 -2.916 -3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.948 -1.598 -4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.429 -2.899 -5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.808 -3.062 -4.743 1.00 0.00 H new ATOM 142 N CYS A 12 -7.260 -5.690 -6.272 1.00 0.00 N ATOM 143 CA CYS A 12 -5.812 -5.517 -6.240 1.00 0.00 C ATOM 144 C CYS A 12 -5.444 -4.060 -5.980 1.00 0.00 C ATOM 145 O CYS A 12 -5.670 -3.192 -6.823 1.00 0.00 O ATOM 146 CB CYS A 12 -5.192 -5.986 -7.557 1.00 0.00 C ATOM 147 SG CYS A 12 -5.000 -7.780 -7.685 1.00 0.00 S ATOM 0 H CYS A 12 -7.716 -5.279 -7.087 1.00 0.00 H new ATOM 0 HA CYS A 12 -5.416 -6.123 -5.425 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.813 -5.638 -8.383 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.215 -5.518 -7.673 1.00 0.00 H new ATOM 0 HG CYS A 12 -4.470 -8.079 -8.834 1.00 0.00 H new ATOM 153 N PHE A 13 -4.876 -3.799 -4.808 1.00 0.00 N ATOM 154 CA PHE A 13 -4.478 -2.446 -4.436 1.00 0.00 C ATOM 155 C PHE A 13 -3.202 -2.034 -5.165 1.00 0.00 C ATOM 156 O PHE A 13 -2.098 -2.406 -4.767 1.00 0.00 O ATOM 157 CB PHE A 13 -4.267 -2.351 -2.923 1.00 0.00 C ATOM 158 CG PHE A 13 -5.533 -2.512 -2.130 1.00 0.00 C ATOM 159 CD1 PHE A 13 -6.526 -1.547 -2.183 1.00 0.00 C ATOM 160 CD2 PHE A 13 -5.730 -3.627 -1.332 1.00 0.00 C ATOM 161 CE1 PHE A 13 -7.692 -1.691 -1.455 1.00 0.00 C ATOM 162 CE2 PHE A 13 -6.894 -3.777 -0.602 1.00 0.00 C ATOM 163 CZ PHE A 13 -7.876 -2.807 -0.663 1.00 0.00 C ATOM 0 H PHE A 13 -4.681 -4.506 -4.099 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.278 -1.766 -4.728 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -3.555 -3.116 -2.615 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.820 -1.386 -2.686 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.387 -0.672 -2.801 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.965 -4.388 -1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -8.458 -0.932 -1.506 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -7.036 -4.652 0.016 1.00 0.00 H new ATOM 0 HZ PHE A 13 -8.786 -2.921 -0.092 1.00 0.00 H new ATOM 173 N LYS A 14 -3.363 -1.263 -6.235 1.00 0.00 N ATOM 174 CA LYS A 14 -2.226 -0.799 -7.021 1.00 0.00 C ATOM 175 C LYS A 14 -1.897 0.654 -6.696 1.00 0.00 C ATOM 176 O LYS A 14 -2.776 1.516 -6.696 1.00 0.00 O ATOM 177 CB LYS A 14 -2.520 -0.944 -8.516 1.00 0.00 C ATOM 178 CG LYS A 14 -1.330 -0.624 -9.404 1.00 0.00 C ATOM 179 CD LYS A 14 -1.655 -0.841 -10.872 1.00 0.00 C ATOM 180 CE LYS A 14 -0.420 -1.245 -11.663 1.00 0.00 C ATOM 181 NZ LYS A 14 -0.238 -2.723 -11.690 1.00 0.00 N ATOM 0 H LYS A 14 -4.270 -0.946 -6.578 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.364 -1.415 -6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.848 -1.964 -8.716 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.347 -0.286 -8.780 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.026 0.411 -9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.485 -1.251 -9.121 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.418 -1.614 -10.966 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.074 0.073 -11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.504 -0.871 -12.683 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.462 -0.778 -11.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.669 -2.969 -11.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.014 -3.178 -11.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.241 -3.055 -12.675 1.00 0.00 H new ATOM 195 N CYS A 15 -0.624 0.920 -6.419 1.00 0.00 N ATOM 196 CA CYS A 15 -0.178 2.269 -6.093 1.00 0.00 C ATOM 197 C CYS A 15 -0.402 3.216 -7.269 1.00 0.00 C ATOM 198 O CYS A 15 -0.199 2.845 -8.424 1.00 0.00 O ATOM 199 CB CYS A 15 1.302 2.260 -5.706 1.00 0.00 C ATOM 200 SG CYS A 15 1.821 3.699 -4.716 1.00 0.00 S ATOM 0 H CYS A 15 0.116 0.218 -6.414 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.766 2.624 -5.247 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.514 1.350 -5.144 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.904 2.221 -6.614 1.00 0.00 H new ATOM 205 N ASN A 16 -0.821 4.440 -6.965 1.00 0.00 N ATOM 206 CA ASN A 16 -1.072 5.440 -7.997 1.00 0.00 C ATOM 207 C ASN A 16 0.174 6.281 -8.254 1.00 0.00 C ATOM 208 O ASN A 16 0.087 7.408 -8.741 1.00 0.00 O ATOM 209 CB ASN A 16 -2.236 6.344 -7.587 1.00 0.00 C ATOM 210 CG ASN A 16 -2.027 6.973 -6.223 1.00 0.00 C ATOM 211 OD1 ASN A 16 -1.854 6.273 -5.224 1.00 0.00 O ATOM 212 ND2 ASN A 16 -2.044 8.300 -6.174 1.00 0.00 N ATOM 0 H ASN A 16 -0.994 4.763 -6.013 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.332 4.919 -8.918 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.361 7.130 -8.331 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.158 5.763 -7.579 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.910 8.779 -5.284 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.191 8.840 -7.027 1.00 0.00 H new ATOM 219 N LYS A 17 1.335 5.725 -7.923 1.00 0.00 N ATOM 220 CA LYS A 17 2.601 6.422 -8.120 1.00 0.00 C ATOM 221 C LYS A 17 3.625 5.512 -8.791 1.00 0.00 C ATOM 222 O LYS A 17 4.182 5.852 -9.835 1.00 0.00 O ATOM 223 CB LYS A 17 3.146 6.919 -6.779 1.00 0.00 C ATOM 224 CG LYS A 17 2.577 8.261 -6.350 1.00 0.00 C ATOM 225 CD LYS A 17 2.831 8.529 -4.876 1.00 0.00 C ATOM 226 CE LYS A 17 2.443 9.949 -4.493 1.00 0.00 C ATOM 227 NZ LYS A 17 3.308 10.960 -5.162 1.00 0.00 N ATOM 0 H LYS A 17 1.425 4.794 -7.517 1.00 0.00 H new ATOM 0 HA LYS A 17 2.419 7.277 -8.771 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.926 6.178 -6.010 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.231 6.998 -6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.025 9.055 -6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.505 8.282 -6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.263 7.820 -4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.885 8.366 -4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.402 10.126 -4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.517 10.067 -3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.229 11.869 -4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.297 10.639 -5.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.003 11.079 -6.149 1.00 0.00 H new ATOM 241 N CYS A 18 3.867 4.355 -8.186 1.00 0.00 N ATOM 242 CA CYS A 18 4.823 3.395 -8.725 1.00 0.00 C ATOM 243 C CYS A 18 4.115 2.334 -9.563 1.00 0.00 C ATOM 244 O CYS A 18 4.710 1.739 -10.460 1.00 0.00 O ATOM 245 CB CYS A 18 5.603 2.727 -7.590 1.00 0.00 C ATOM 246 SG CYS A 18 4.552 2.022 -6.281 1.00 0.00 S ATOM 0 H CYS A 18 3.414 4.059 -7.321 1.00 0.00 H new ATOM 0 HA CYS A 18 5.519 3.935 -9.367 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.225 1.935 -8.008 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.276 3.460 -7.145 1.00 0.00 H new ATOM 251 N GLU A 19 2.840 2.104 -9.262 1.00 0.00 N ATOM 252 CA GLU A 19 2.052 1.115 -9.987 1.00 0.00 C ATOM 253 C GLU A 19 2.473 -0.302 -9.608 1.00 0.00 C ATOM 254 O GLU A 19 2.537 -1.191 -10.456 1.00 0.00 O ATOM 255 CB GLU A 19 2.203 1.317 -11.497 1.00 0.00 C ATOM 256 CG GLU A 19 2.104 2.770 -11.930 1.00 0.00 C ATOM 257 CD GLU A 19 0.670 3.255 -12.020 1.00 0.00 C ATOM 258 OE1 GLU A 19 -0.060 2.781 -12.916 1.00 0.00 O ATOM 259 OE2 GLU A 19 0.278 4.108 -11.197 1.00 0.00 O ATOM 0 H GLU A 19 2.332 2.589 -8.522 1.00 0.00 H new ATOM 0 HA GLU A 19 1.006 1.250 -9.712 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.166 0.917 -11.814 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.434 0.740 -12.011 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.651 3.394 -11.223 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.586 2.890 -12.900 1.00 0.00 H new ATOM 266 N LYS A 20 2.761 -0.504 -8.326 1.00 0.00 N ATOM 267 CA LYS A 20 3.176 -1.811 -7.832 1.00 0.00 C ATOM 268 C LYS A 20 2.040 -2.493 -7.077 1.00 0.00 C ATOM 269 O LYS A 20 1.577 -1.997 -6.049 1.00 0.00 O ATOM 270 CB LYS A 20 4.396 -1.669 -6.919 1.00 0.00 C ATOM 271 CG LYS A 20 5.721 -1.763 -7.655 1.00 0.00 C ATOM 272 CD LYS A 20 6.892 -1.843 -6.690 1.00 0.00 C ATOM 273 CE LYS A 20 8.192 -1.416 -7.353 1.00 0.00 C ATOM 274 NZ LYS A 20 8.199 0.037 -7.676 1.00 0.00 N ATOM 0 H LYS A 20 2.714 0.222 -7.611 1.00 0.00 H new ATOM 0 HA LYS A 20 3.441 -2.429 -8.690 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.344 -0.710 -6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.359 -2.445 -6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.719 -2.642 -8.299 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.841 -0.894 -8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.697 -1.207 -5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.990 -2.863 -6.319 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.029 -1.645 -6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.340 -1.992 -8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.180 0.363 -7.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.679 0.198 -8.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.743 0.566 -6.906 1.00 0.00 H new ATOM 288 N THR A 21 1.594 -3.634 -7.593 1.00 0.00 N ATOM 289 CA THR A 21 0.512 -4.385 -6.968 1.00 0.00 C ATOM 290 C THR A 21 0.941 -4.946 -5.617 1.00 0.00 C ATOM 291 O THR A 21 2.031 -5.503 -5.483 1.00 0.00 O ATOM 292 CB THR A 21 0.040 -5.543 -7.866 1.00 0.00 C ATOM 293 OG1 THR A 21 1.161 -6.335 -8.275 1.00 0.00 O ATOM 294 CG2 THR A 21 -0.689 -5.015 -9.093 1.00 0.00 C ATOM 0 H THR A 21 1.966 -4.059 -8.443 1.00 0.00 H new ATOM 0 HA THR A 21 -0.314 -3.688 -6.823 1.00 0.00 H new ATOM 0 HB THR A 21 -0.650 -6.161 -7.291 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.852 -7.070 -8.844 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.013 -5.852 -9.712 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.559 -4.438 -8.779 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.018 -4.377 -9.668 1.00 0.00 H new ATOM 302 N PHE A 22 0.078 -4.796 -4.618 1.00 0.00 N ATOM 303 CA PHE A 22 0.368 -5.289 -3.277 1.00 0.00 C ATOM 304 C PHE A 22 -0.632 -6.365 -2.864 1.00 0.00 C ATOM 305 O PHE A 22 -1.557 -6.686 -3.610 1.00 0.00 O ATOM 306 CB PHE A 22 0.339 -4.136 -2.270 1.00 0.00 C ATOM 307 CG PHE A 22 1.451 -3.145 -2.462 1.00 0.00 C ATOM 308 CD1 PHE A 22 2.673 -3.324 -1.834 1.00 0.00 C ATOM 309 CD2 PHE A 22 1.274 -2.033 -3.270 1.00 0.00 C ATOM 310 CE1 PHE A 22 3.698 -2.413 -2.009 1.00 0.00 C ATOM 311 CE2 PHE A 22 2.295 -1.120 -3.449 1.00 0.00 C ATOM 312 CZ PHE A 22 3.508 -1.309 -2.817 1.00 0.00 C ATOM 0 H PHE A 22 -0.828 -4.337 -4.712 1.00 0.00 H new ATOM 0 HA PHE A 22 1.365 -5.730 -3.287 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.617 -3.618 -2.350 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.397 -4.544 -1.261 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.827 -4.185 -1.200 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.327 -1.879 -3.765 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.646 -2.564 -1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.145 -0.259 -4.083 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.307 -0.595 -2.954 1.00 0.00 H new ATOM 322 N SER A 23 -0.438 -6.918 -1.671 1.00 0.00 N ATOM 323 CA SER A 23 -1.320 -7.961 -1.160 1.00 0.00 C ATOM 324 C SER A 23 -2.481 -7.355 -0.377 1.00 0.00 C ATOM 325 O SER A 23 -3.648 -7.594 -0.692 1.00 0.00 O ATOM 326 CB SER A 23 -0.538 -8.927 -0.268 1.00 0.00 C ATOM 327 OG SER A 23 -1.235 -10.151 -0.108 1.00 0.00 O ATOM 0 H SER A 23 0.322 -6.661 -1.040 1.00 0.00 H new ATOM 0 HA SER A 23 -1.725 -8.509 -2.011 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.442 -9.118 -0.705 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.369 -8.471 0.707 1.00 0.00 H new ATOM 0 HG SER A 23 -0.714 -10.752 0.465 1.00 0.00 H new ATOM 333 N CYS A 24 -2.153 -6.571 0.644 1.00 0.00 N ATOM 334 CA CYS A 24 -3.168 -5.931 1.474 1.00 0.00 C ATOM 335 C CYS A 24 -3.155 -4.419 1.278 1.00 0.00 C ATOM 336 O CYS A 24 -2.250 -3.872 0.648 1.00 0.00 O ATOM 337 CB CYS A 24 -2.938 -6.268 2.948 1.00 0.00 C ATOM 338 SG CYS A 24 -3.087 -8.028 3.334 1.00 0.00 S ATOM 0 H CYS A 24 -1.192 -6.363 0.917 1.00 0.00 H new ATOM 0 HA CYS A 24 -4.143 -6.311 1.170 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.944 -5.926 3.237 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.654 -5.712 3.553 1.00 0.00 H new ATOM 0 HG CYS A 24 -2.874 -8.214 4.603 1.00 0.00 H new ATOM 344 N SER A 25 -4.167 -3.749 1.820 1.00 0.00 N ATOM 345 CA SER A 25 -4.276 -2.299 1.700 1.00 0.00 C ATOM 346 C SER A 25 -3.302 -1.602 2.644 1.00 0.00 C ATOM 347 O SER A 25 -2.607 -0.662 2.256 1.00 0.00 O ATOM 348 CB SER A 25 -5.706 -1.848 2.000 1.00 0.00 C ATOM 349 OG SER A 25 -5.856 -0.454 1.790 1.00 0.00 O ATOM 0 H SER A 25 -4.923 -4.187 2.346 1.00 0.00 H new ATOM 0 HA SER A 25 -4.023 -2.023 0.676 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.403 -2.392 1.363 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.959 -2.093 3.032 1.00 0.00 H new ATOM 0 HG SER A 25 -6.779 -0.191 1.987 1.00 0.00 H new ATOM 355 N LYS A 26 -3.256 -2.068 3.888 1.00 0.00 N ATOM 356 CA LYS A 26 -2.367 -1.491 4.889 1.00 0.00 C ATOM 357 C LYS A 26 -0.951 -1.345 4.340 1.00 0.00 C ATOM 358 O LYS A 26 -0.396 -0.246 4.314 1.00 0.00 O ATOM 359 CB LYS A 26 -2.350 -2.362 6.147 1.00 0.00 C ATOM 360 CG LYS A 26 -1.551 -1.762 7.292 1.00 0.00 C ATOM 361 CD LYS A 26 -1.043 -2.835 8.240 1.00 0.00 C ATOM 362 CE LYS A 26 0.250 -2.411 8.920 1.00 0.00 C ATOM 363 NZ LYS A 26 0.718 -3.426 9.904 1.00 0.00 N ATOM 0 H LYS A 26 -3.825 -2.844 4.227 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.742 -0.500 5.145 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.375 -2.527 6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.934 -3.338 5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.707 -1.199 6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.174 -1.056 7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.801 -3.044 8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.879 -3.761 7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.022 -2.253 8.167 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.098 -1.458 9.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.601 -3.100 10.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.007 -3.559 10.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.887 -4.329 9.417 1.00 0.00 H new ATOM 377 N TYR A 27 -0.373 -2.457 3.902 1.00 0.00 N ATOM 378 CA TYR A 27 0.978 -2.452 3.354 1.00 0.00 C ATOM 379 C TYR A 27 1.153 -1.321 2.346 1.00 0.00 C ATOM 380 O TYR A 27 2.150 -0.598 2.372 1.00 0.00 O ATOM 381 CB TYR A 27 1.287 -3.795 2.690 1.00 0.00 C ATOM 382 CG TYR A 27 1.386 -4.945 3.666 1.00 0.00 C ATOM 383 CD1 TYR A 27 2.225 -4.873 4.771 1.00 0.00 C ATOM 384 CD2 TYR A 27 0.641 -6.104 3.483 1.00 0.00 C ATOM 385 CE1 TYR A 27 2.320 -5.922 5.666 1.00 0.00 C ATOM 386 CE2 TYR A 27 0.729 -7.156 4.373 1.00 0.00 C ATOM 387 CZ TYR A 27 1.569 -7.061 5.463 1.00 0.00 C ATOM 388 OH TYR A 27 1.660 -8.108 6.351 1.00 0.00 O ATOM 0 H TYR A 27 -0.819 -3.374 3.916 1.00 0.00 H new ATOM 0 HA TYR A 27 1.675 -2.292 4.176 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.510 -4.016 1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 27 2.226 -3.712 2.142 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.813 -3.982 4.933 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.018 -6.183 2.631 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.978 -5.850 6.519 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.143 -8.049 4.216 1.00 0.00 H new ATOM 0 HH TYR A 27 1.066 -8.833 6.064 1.00 0.00 H new ATOM 398 N LEU A 28 0.176 -1.172 1.458 1.00 0.00 N ATOM 399 CA LEU A 28 0.219 -0.129 0.440 1.00 0.00 C ATOM 400 C LEU A 28 0.156 1.256 1.076 1.00 0.00 C ATOM 401 O LEU A 28 1.057 2.076 0.897 1.00 0.00 O ATOM 402 CB LEU A 28 -0.937 -0.302 -0.546 1.00 0.00 C ATOM 403 CG LEU A 28 -1.185 0.865 -1.503 1.00 0.00 C ATOM 404 CD1 LEU A 28 0.044 1.122 -2.361 1.00 0.00 C ATOM 405 CD2 LEU A 28 -2.400 0.590 -2.376 1.00 0.00 C ATOM 0 H LEU A 28 -0.656 -1.761 1.423 1.00 0.00 H new ATOM 0 HA LEU A 28 1.163 -0.220 -0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.752 -1.198 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.850 -0.479 0.023 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.383 1.759 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.151 1.956 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.891 1.365 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.274 0.230 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.561 1.431 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.232 -0.316 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.279 0.457 -1.745 1.00 0.00 H new ATOM 417 N THR A 29 -0.914 1.510 1.824 1.00 0.00 N ATOM 418 CA THR A 29 -1.095 2.794 2.488 1.00 0.00 C ATOM 419 C THR A 29 0.223 3.311 3.055 1.00 0.00 C ATOM 420 O THR A 29 0.686 4.390 2.686 1.00 0.00 O ATOM 421 CB THR A 29 -2.127 2.697 3.627 1.00 0.00 C ATOM 422 OG1 THR A 29 -3.375 2.213 3.118 1.00 0.00 O ATOM 423 CG2 THR A 29 -2.334 4.052 4.287 1.00 0.00 C ATOM 0 H THR A 29 -1.668 0.842 1.985 1.00 0.00 H new ATOM 0 HA THR A 29 -1.461 3.490 1.734 1.00 0.00 H new ATOM 0 HB THR A 29 -1.746 2.001 4.374 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.309 1.249 2.953 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.067 3.958 5.088 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.388 4.404 4.700 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.695 4.766 3.547 1.00 0.00 H new ATOM 431 N GLN A 30 0.822 2.533 3.951 1.00 0.00 N ATOM 432 CA GLN A 30 2.087 2.913 4.568 1.00 0.00 C ATOM 433 C GLN A 30 3.175 3.088 3.514 1.00 0.00 C ATOM 434 O GLN A 30 3.995 4.003 3.598 1.00 0.00 O ATOM 435 CB GLN A 30 2.516 1.861 5.591 1.00 0.00 C ATOM 436 CG GLN A 30 3.744 2.258 6.395 1.00 0.00 C ATOM 437 CD GLN A 30 3.967 1.366 7.600 1.00 0.00 C ATOM 438 OE1 GLN A 30 4.027 0.142 7.478 1.00 0.00 O ATOM 439 NE2 GLN A 30 4.091 1.976 8.773 1.00 0.00 N ATOM 0 H GLN A 30 0.452 1.636 4.266 1.00 0.00 H new ATOM 0 HA GLN A 30 1.943 3.866 5.077 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.689 1.674 6.276 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.719 0.924 5.073 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.623 2.219 5.751 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.638 3.291 6.727 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.035 2.993 8.827 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.243 1.428 9.620 1.00 0.00 H new ATOM 448 N HIS A 31 3.178 2.204 2.521 1.00 0.00 N ATOM 449 CA HIS A 31 4.167 2.260 1.450 1.00 0.00 C ATOM 450 C HIS A 31 4.122 3.610 0.740 1.00 0.00 C ATOM 451 O HIS A 31 5.133 4.304 0.642 1.00 0.00 O ATOM 452 CB HIS A 31 3.926 1.134 0.444 1.00 0.00 C ATOM 453 CG HIS A 31 4.411 1.450 -0.937 1.00 0.00 C ATOM 454 ND1 HIS A 31 5.532 0.868 -1.492 1.00 0.00 N ATOM 455 CD2 HIS A 31 3.921 2.291 -1.877 1.00 0.00 C ATOM 456 CE1 HIS A 31 5.710 1.339 -2.713 1.00 0.00 C ATOM 457 NE2 HIS A 31 4.746 2.205 -2.971 1.00 0.00 N ATOM 0 H HIS A 31 2.507 1.441 2.436 1.00 0.00 H new ATOM 0 HA HIS A 31 5.154 2.135 1.894 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.423 0.230 0.797 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.859 0.916 0.404 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.130 0.182 -1.032 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.044 2.914 -1.784 1.00 0.00 H new ATOM 0 HE1 HIS A 31 6.508 1.063 -3.386 1.00 0.00 H new ATOM 465 N GLU A 32 2.942 3.975 0.246 1.00 0.00 N ATOM 466 CA GLU A 32 2.767 5.241 -0.456 1.00 0.00 C ATOM 467 C GLU A 32 3.641 6.330 0.161 1.00 0.00 C ATOM 468 O GLU A 32 4.083 7.250 -0.528 1.00 0.00 O ATOM 469 CB GLU A 32 1.299 5.670 -0.422 1.00 0.00 C ATOM 470 CG GLU A 32 0.366 4.700 -1.128 1.00 0.00 C ATOM 471 CD GLU A 32 -1.067 5.196 -1.170 1.00 0.00 C ATOM 472 OE1 GLU A 32 -1.694 5.293 -0.094 1.00 0.00 O ATOM 473 OE2 GLU A 32 -1.561 5.486 -2.280 1.00 0.00 O ATOM 0 H GLU A 32 2.094 3.412 0.319 1.00 0.00 H new ATOM 0 HA GLU A 32 3.072 5.098 -1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.983 5.774 0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.205 6.653 -0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.720 4.537 -2.146 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.398 3.736 -0.621 1.00 0.00 H new ATOM 480 N ARG A 33 3.884 6.219 1.462 1.00 0.00 N ATOM 481 CA ARG A 33 4.703 7.194 2.173 1.00 0.00 C ATOM 482 C ARG A 33 6.065 7.350 1.504 1.00 0.00 C ATOM 483 O ARG A 33 6.514 8.466 1.239 1.00 0.00 O ATOM 484 CB ARG A 33 4.884 6.774 3.632 1.00 0.00 C ATOM 485 CG ARG A 33 3.576 6.634 4.393 1.00 0.00 C ATOM 486 CD ARG A 33 3.793 6.020 5.767 1.00 0.00 C ATOM 487 NE ARG A 33 2.696 6.323 6.682 1.00 0.00 N ATOM 488 CZ ARG A 33 2.743 6.090 7.989 1.00 0.00 C ATOM 489 NH1 ARG A 33 3.827 5.554 8.531 1.00 0.00 N ATOM 490 NH2 ARG A 33 1.703 6.394 8.756 1.00 0.00 N ATOM 0 H ARG A 33 3.526 5.464 2.046 1.00 0.00 H new ATOM 0 HA ARG A 33 4.189 8.155 2.141 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.417 5.823 3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.512 7.508 4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.110 7.613 4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.886 6.014 3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.895 4.939 5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.728 6.392 6.186 1.00 0.00 H new ATOM 0 HE ARG A 33 1.847 6.736 6.296 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.628 5.319 7.944 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.861 5.376 9.535 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.867 6.807 8.342 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.740 6.215 9.759 1.00 0.00 H new ATOM 504 N ILE A 34 6.719 6.225 1.235 1.00 0.00 N ATOM 505 CA ILE A 34 8.029 6.237 0.597 1.00 0.00 C ATOM 506 C ILE A 34 8.099 7.299 -0.496 1.00 0.00 C ATOM 507 O ILE A 34 9.178 7.786 -0.835 1.00 0.00 O ATOM 508 CB ILE A 34 8.371 4.865 -0.014 1.00 0.00 C ATOM 509 CG1 ILE A 34 7.500 4.598 -1.243 1.00 0.00 C ATOM 510 CG2 ILE A 34 8.188 3.765 1.021 1.00 0.00 C ATOM 511 CD1 ILE A 34 8.181 3.749 -2.293 1.00 0.00 C ATOM 0 H ILE A 34 6.363 5.294 1.449 1.00 0.00 H new ATOM 0 HA ILE A 34 8.756 6.471 1.375 1.00 0.00 H new ATOM 0 HB ILE A 34 9.415 4.873 -0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.582 4.103 -0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.212 5.550 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.433 2.801 0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.847 3.950 1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.153 3.754 1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.505 3.600 -3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.085 4.252 -2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.445 2.782 -1.864 1.00 0.00 H new ATOM 523 N HIS A 35 6.941 7.655 -1.042 1.00 0.00 N ATOM 524 CA HIS A 35 6.870 8.661 -2.096 1.00 0.00 C ATOM 525 C HIS A 35 6.725 10.059 -1.502 1.00 0.00 C ATOM 526 O HIS A 35 7.517 10.956 -1.795 1.00 0.00 O ATOM 527 CB HIS A 35 5.698 8.368 -3.032 1.00 0.00 C ATOM 528 CG HIS A 35 5.708 6.977 -3.586 1.00 0.00 C ATOM 529 ND1 HIS A 35 6.776 6.451 -4.282 1.00 0.00 N ATOM 530 CD2 HIS A 35 4.772 6.000 -3.543 1.00 0.00 C ATOM 531 CE1 HIS A 35 6.496 5.212 -4.644 1.00 0.00 C ATOM 532 NE2 HIS A 35 5.286 4.913 -4.207 1.00 0.00 N ATOM 0 H HIS A 35 6.039 7.262 -0.772 1.00 0.00 H new ATOM 0 HA HIS A 35 7.798 8.621 -2.666 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.764 8.529 -2.493 1.00 0.00 H new ATOM 0 HB3 HIS A 35 5.716 9.079 -3.858 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.646 6.942 -4.486 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.801 6.063 -3.074 1.00 0.00 H new ATOM 0 HE1 HIS A 35 7.146 4.555 -5.203 1.00 0.00 H new ATOM 540 N THR A 36 5.706 10.240 -0.666 1.00 0.00 N ATOM 541 CA THR A 36 5.456 11.528 -0.034 1.00 0.00 C ATOM 542 C THR A 36 6.360 11.731 1.177 1.00 0.00 C ATOM 543 O THR A 36 6.068 11.248 2.270 1.00 0.00 O ATOM 544 CB THR A 36 3.987 11.660 0.410 1.00 0.00 C ATOM 545 OG1 THR A 36 3.645 10.590 1.297 1.00 0.00 O ATOM 546 CG2 THR A 36 3.055 11.646 -0.793 1.00 0.00 C ATOM 0 H THR A 36 5.041 9.510 -0.412 1.00 0.00 H new ATOM 0 HA THR A 36 5.673 12.293 -0.779 1.00 0.00 H new ATOM 0 HB THR A 36 3.871 12.612 0.929 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.379 10.441 1.928 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.023 11.740 -0.455 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.299 12.479 -1.452 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.175 10.708 -1.335 1.00 0.00 H new ATOM 554 N ARG A 37 7.460 12.450 0.974 1.00 0.00 N ATOM 555 CA ARG A 37 8.407 12.717 2.050 1.00 0.00 C ATOM 556 C ARG A 37 8.456 14.207 2.375 1.00 0.00 C ATOM 557 O ARG A 37 8.424 15.049 1.479 1.00 0.00 O ATOM 558 CB ARG A 37 9.802 12.223 1.663 1.00 0.00 C ATOM 559 CG ARG A 37 10.390 12.939 0.458 1.00 0.00 C ATOM 560 CD ARG A 37 11.910 12.896 0.470 1.00 0.00 C ATOM 561 NE ARG A 37 12.484 13.489 -0.735 1.00 0.00 N ATOM 562 CZ ARG A 37 12.502 14.795 -0.974 1.00 0.00 C ATOM 563 NH1 ARG A 37 11.981 15.640 -0.096 1.00 0.00 N ATOM 564 NH2 ARG A 37 13.043 15.259 -2.093 1.00 0.00 N ATOM 0 H ARG A 37 7.717 12.858 0.075 1.00 0.00 H new ATOM 0 HA ARG A 37 8.071 12.180 2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.472 12.351 2.513 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.754 11.155 1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.019 12.477 -0.457 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.055 13.976 0.450 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.281 13.427 1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.243 11.862 0.559 1.00 0.00 H new ATOM 0 HE ARG A 37 12.893 12.866 -1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.565 15.288 0.766 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.996 16.643 -0.282 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.446 14.612 -2.771 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.056 16.263 -2.275 1.00 0.00 H new ATOM 578 N GLY A 38 8.532 14.524 3.664 1.00 0.00 N ATOM 579 CA GLY A 38 8.583 15.912 4.084 1.00 0.00 C ATOM 580 C GLY A 38 9.985 16.357 4.449 1.00 0.00 C ATOM 581 O GLY A 38 10.824 15.540 4.831 1.00 0.00 O ATOM 0 H GLY A 38 8.559 13.845 4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.202 16.545 3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.926 16.053 4.942 1.00 0.00 H new ATOM 585 N VAL A 39 10.243 17.655 4.329 1.00 0.00 N ATOM 586 CA VAL A 39 11.554 18.207 4.649 1.00 0.00 C ATOM 587 C VAL A 39 11.993 17.805 6.052 1.00 0.00 C ATOM 588 O VAL A 39 11.177 17.723 6.970 1.00 0.00 O ATOM 589 CB VAL A 39 11.557 19.744 4.542 1.00 0.00 C ATOM 590 CG1 VAL A 39 11.283 20.181 3.112 1.00 0.00 C ATOM 591 CG2 VAL A 39 10.537 20.345 5.497 1.00 0.00 C ATOM 0 H VAL A 39 9.561 18.344 4.012 1.00 0.00 H new ATOM 0 HA VAL A 39 12.255 17.798 3.922 1.00 0.00 H new ATOM 0 HB VAL A 39 12.545 20.109 4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.289 21.270 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 39 12.055 19.780 2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 39 10.309 19.807 2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.552 21.431 5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.543 19.974 5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.784 20.061 6.520 1.00 0.00 H new ATOM 601 N LYS A 40 13.288 17.554 6.212 1.00 0.00 N ATOM 602 CA LYS A 40 13.838 17.162 7.504 1.00 0.00 C ATOM 603 C LYS A 40 13.499 18.193 8.575 1.00 0.00 C ATOM 604 O LYS A 40 13.046 17.843 9.665 1.00 0.00 O ATOM 605 CB LYS A 40 15.356 16.993 7.405 1.00 0.00 C ATOM 606 CG LYS A 40 15.919 15.972 8.378 1.00 0.00 C ATOM 607 CD LYS A 40 15.629 14.551 7.924 1.00 0.00 C ATOM 608 CE LYS A 40 16.740 14.012 7.035 1.00 0.00 C ATOM 609 NZ LYS A 40 16.490 14.306 5.596 1.00 0.00 N ATOM 0 H LYS A 40 13.977 17.615 5.462 1.00 0.00 H new ATOM 0 HA LYS A 40 13.390 16.209 7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.614 16.695 6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.833 17.956 7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.996 16.112 8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.489 16.134 9.366 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.513 13.906 8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.684 14.527 7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 40 17.691 14.451 7.336 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.828 12.935 7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.616 13.438 5.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.518 14.656 5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 17.161 15.030 5.268 1.00 0.00 H new ATOM 623 N SER A 41 13.720 19.464 8.258 1.00 0.00 N ATOM 624 CA SER A 41 13.440 20.546 9.195 1.00 0.00 C ATOM 625 C SER A 41 11.943 20.833 9.261 1.00 0.00 C ATOM 626 O SER A 41 11.210 20.592 8.303 1.00 0.00 O ATOM 627 CB SER A 41 14.196 21.812 8.786 1.00 0.00 C ATOM 628 OG SER A 41 13.827 22.227 7.482 1.00 0.00 O ATOM 0 H SER A 41 14.092 19.770 7.359 1.00 0.00 H new ATOM 0 HA SER A 41 13.777 20.234 10.184 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.987 22.610 9.498 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.269 21.626 8.822 1.00 0.00 H new ATOM 0 HG SER A 41 14.322 23.039 7.245 1.00 0.00 H new ATOM 634 N GLY A 42 11.495 21.350 10.402 1.00 0.00 N ATOM 635 CA GLY A 42 10.089 21.662 10.574 1.00 0.00 C ATOM 636 C GLY A 42 9.556 22.563 9.477 1.00 0.00 C ATOM 637 O GLY A 42 10.256 23.439 8.970 1.00 0.00 O ATOM 0 H GLY A 42 12.082 21.558 11.210 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.514 20.736 10.591 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.943 22.145 11.540 1.00 0.00 H new ATOM 641 N PRO A 43 8.289 22.349 9.094 1.00 0.00 N ATOM 642 CA PRO A 43 7.635 23.138 8.045 1.00 0.00 C ATOM 643 C PRO A 43 7.364 24.573 8.484 1.00 0.00 C ATOM 644 O PRO A 43 6.991 24.823 9.630 1.00 0.00 O ATOM 645 CB PRO A 43 6.319 22.394 7.810 1.00 0.00 C ATOM 646 CG PRO A 43 6.049 21.685 9.092 1.00 0.00 C ATOM 647 CD PRO A 43 7.396 21.322 9.655 1.00 0.00 C ATOM 0 HA PRO A 43 8.256 23.225 7.154 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.513 23.085 7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.404 21.692 6.980 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.496 22.323 9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.443 20.795 8.926 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.395 21.343 10.745 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.699 20.319 9.356 1.00 0.00 H new ATOM 655 N SER A 44 7.554 25.514 7.564 1.00 0.00 N ATOM 656 CA SER A 44 7.333 26.925 7.857 1.00 0.00 C ATOM 657 C SER A 44 6.523 27.590 6.748 1.00 0.00 C ATOM 658 O SER A 44 6.494 27.113 5.614 1.00 0.00 O ATOM 659 CB SER A 44 8.671 27.647 8.030 1.00 0.00 C ATOM 660 OG SER A 44 9.441 27.054 9.061 1.00 0.00 O ATOM 0 H SER A 44 7.860 25.324 6.610 1.00 0.00 H new ATOM 0 HA SER A 44 6.768 26.994 8.787 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.228 27.617 7.093 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.494 28.697 8.262 1.00 0.00 H new ATOM 0 HG SER A 44 10.292 27.533 9.151 1.00 0.00 H new ATOM 666 N SER A 45 5.866 28.695 7.085 1.00 0.00 N ATOM 667 CA SER A 45 5.052 29.425 6.120 1.00 0.00 C ATOM 668 C SER A 45 5.932 30.174 5.123 1.00 0.00 C ATOM 669 O SER A 45 6.489 31.225 5.437 1.00 0.00 O ATOM 670 CB SER A 45 4.127 30.408 6.840 1.00 0.00 C ATOM 671 OG SER A 45 3.075 30.833 5.992 1.00 0.00 O ATOM 0 H SER A 45 5.881 29.105 8.019 1.00 0.00 H new ATOM 0 HA SER A 45 4.447 28.702 5.573 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.712 29.936 7.731 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.700 31.273 7.175 1.00 0.00 H new ATOM 0 HG SER A 45 2.497 31.459 6.476 1.00 0.00 H new ATOM 677 N GLY A 46 6.051 29.624 3.919 1.00 0.00 N ATOM 678 CA GLY A 46 6.864 30.252 2.894 1.00 0.00 C ATOM 679 C GLY A 46 6.043 31.092 1.936 1.00 0.00 C ATOM 680 O GLY A 46 6.498 31.349 0.823 1.00 0.00 O ATOM 0 H GLY A 46 5.599 28.755 3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.619 30.880 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.395 29.482 2.334 1.00 0.00 H new TER 684 GLY A 46 HETATM 685 ZN ZN A 201 4.143 3.396 -4.491 1.00 0.00 ZN