USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 284 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 28 HIS HE2 : A 28 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 1 GLY N :NH3+ 141:sc= 0.0115 (180deg=0) USER MOD Set 1.2: A 5 SER OG : rot 180:sc= 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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 160:sc= -1.03 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0791) USER MOD Single : A 24 HIS :FLIP no HD1:sc= -0.133 F(o=-0.87,f=-0.13) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0933) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= -0.026 (180deg=-0.211) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.159 -2.075 -0.884 1.00 0.00 N ATOM 2 CA GLY A 1 20.411 -2.862 -2.077 1.00 0.00 C ATOM 3 C GLY A 1 21.635 -2.389 -2.836 1.00 0.00 C ATOM 4 O GLY A 1 21.888 -1.188 -2.933 1.00 0.00 O ATOM 0 H1 GLY A 1 19.135 -1.930 -0.774 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.529 -2.577 -0.052 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.632 -1.153 -0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.542 -3.907 -1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.540 -2.813 -2.731 1.00 0.00 H new ATOM 8 N SER A 2 22.398 -3.335 -3.374 1.00 0.00 N ATOM 9 CA SER A 2 23.606 -3.009 -4.123 1.00 0.00 C ATOM 10 C SER A 2 23.411 -1.737 -4.941 1.00 0.00 C ATOM 11 O SER A 2 24.280 -0.865 -4.971 1.00 0.00 O ATOM 12 CB SER A 2 23.988 -4.169 -5.044 1.00 0.00 C ATOM 13 OG SER A 2 25.177 -3.881 -5.761 1.00 0.00 O ATOM 0 H SER A 2 22.201 -4.333 -3.305 1.00 0.00 H new ATOM 0 HA SER A 2 24.413 -2.840 -3.410 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.126 -5.075 -4.454 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.176 -4.364 -5.744 1.00 0.00 H new ATOM 0 HG SER A 2 25.401 -4.638 -6.341 1.00 0.00 H new ATOM 19 N SER A 3 22.263 -1.638 -5.605 1.00 0.00 N ATOM 20 CA SER A 3 21.954 -0.475 -6.428 1.00 0.00 C ATOM 21 C SER A 3 20.573 0.079 -6.089 1.00 0.00 C ATOM 22 O SER A 3 19.578 -0.644 -6.120 1.00 0.00 O ATOM 23 CB SER A 3 22.019 -0.841 -7.912 1.00 0.00 C ATOM 24 OG SER A 3 23.362 -0.961 -8.348 1.00 0.00 O ATOM 0 H SER A 3 21.532 -2.349 -5.589 1.00 0.00 H new ATOM 0 HA SER A 3 22.697 0.295 -6.219 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.493 -1.780 -8.082 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.509 -0.079 -8.501 1.00 0.00 H new ATOM 0 HG SER A 3 23.377 -1.197 -9.299 1.00 0.00 H new ATOM 30 N GLY A 4 20.521 1.367 -5.767 1.00 0.00 N ATOM 31 CA GLY A 4 19.258 1.997 -5.427 1.00 0.00 C ATOM 32 C GLY A 4 18.744 1.567 -4.068 1.00 0.00 C ATOM 33 O GLY A 4 18.631 0.373 -3.788 1.00 0.00 O ATOM 0 H GLY A 4 21.331 1.986 -5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.381 3.080 -5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.516 1.751 -6.187 1.00 0.00 H new ATOM 37 N SER A 5 18.431 2.542 -3.219 1.00 0.00 N ATOM 38 CA SER A 5 17.931 2.258 -1.879 1.00 0.00 C ATOM 39 C SER A 5 16.720 3.127 -1.556 1.00 0.00 C ATOM 40 O SER A 5 16.860 4.255 -1.083 1.00 0.00 O ATOM 41 CB SER A 5 19.031 2.490 -0.842 1.00 0.00 C ATOM 42 OG SER A 5 20.185 1.725 -1.143 1.00 0.00 O ATOM 0 H SER A 5 18.515 3.535 -3.436 1.00 0.00 H new ATOM 0 HA SER A 5 17.625 1.212 -1.846 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.290 3.548 -0.813 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.663 2.224 0.149 1.00 0.00 H new ATOM 0 HG SER A 5 20.874 1.892 -0.466 1.00 0.00 H new ATOM 48 N SER A 6 15.530 2.594 -1.816 1.00 0.00 N ATOM 49 CA SER A 6 14.293 3.321 -1.556 1.00 0.00 C ATOM 50 C SER A 6 13.840 3.126 -0.113 1.00 0.00 C ATOM 51 O SER A 6 13.416 4.071 0.550 1.00 0.00 O ATOM 52 CB SER A 6 13.194 2.859 -2.515 1.00 0.00 C ATOM 53 OG SER A 6 13.332 3.473 -3.784 1.00 0.00 O ATOM 0 H SER A 6 15.397 1.661 -2.207 1.00 0.00 H new ATOM 0 HA SER A 6 14.484 4.382 -1.717 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.236 1.775 -2.626 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.217 3.099 -2.096 1.00 0.00 H new ATOM 0 HG SER A 6 12.619 3.160 -4.378 1.00 0.00 H new ATOM 59 N GLY A 7 13.933 1.890 0.368 1.00 0.00 N ATOM 60 CA GLY A 7 13.529 1.591 1.730 1.00 0.00 C ATOM 61 C GLY A 7 13.584 0.108 2.038 1.00 0.00 C ATOM 62 O GLY A 7 14.150 -0.671 1.272 1.00 0.00 O ATOM 0 H GLY A 7 14.281 1.090 -0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.176 2.127 2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.515 1.956 1.893 1.00 0.00 H new ATOM 66 N GLU A 8 12.994 -0.283 3.164 1.00 0.00 N ATOM 67 CA GLU A 8 12.980 -1.683 3.572 1.00 0.00 C ATOM 68 C GLU A 8 11.865 -2.446 2.863 1.00 0.00 C ATOM 69 O GLU A 8 11.157 -3.245 3.475 1.00 0.00 O ATOM 70 CB GLU A 8 12.805 -1.793 5.088 1.00 0.00 C ATOM 71 CG GLU A 8 11.473 -1.258 5.587 1.00 0.00 C ATOM 72 CD GLU A 8 11.366 -1.277 7.099 1.00 0.00 C ATOM 73 OE1 GLU A 8 12.419 -1.221 7.768 1.00 0.00 O ATOM 74 OE2 GLU A 8 10.231 -1.347 7.614 1.00 0.00 O ATOM 0 H GLU A 8 12.520 0.349 3.809 1.00 0.00 H new ATOM 0 HA GLU A 8 13.935 -2.127 3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.900 -2.838 5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.612 -1.249 5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.339 -0.237 5.230 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.665 -1.853 5.162 1.00 0.00 H new ATOM 81 N LYS A 9 11.714 -2.192 1.567 1.00 0.00 N ATOM 82 CA LYS A 9 10.687 -2.854 0.772 1.00 0.00 C ATOM 83 C LYS A 9 9.407 -3.037 1.582 1.00 0.00 C ATOM 84 O LYS A 9 8.790 -4.102 1.554 1.00 0.00 O ATOM 85 CB LYS A 9 11.190 -4.213 0.280 1.00 0.00 C ATOM 86 CG LYS A 9 12.085 -4.122 -0.944 1.00 0.00 C ATOM 87 CD LYS A 9 11.281 -4.204 -2.230 1.00 0.00 C ATOM 88 CE LYS A 9 10.841 -2.826 -2.701 1.00 0.00 C ATOM 89 NZ LYS A 9 10.301 -2.860 -4.088 1.00 0.00 N ATOM 0 H LYS A 9 12.291 -1.532 1.045 1.00 0.00 H new ATOM 0 HA LYS A 9 10.466 -2.223 -0.088 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.738 -4.702 1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.334 -4.846 0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.641 -3.185 -0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.818 -4.928 -0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.881 -4.680 -3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.405 -4.833 -2.073 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.080 -2.437 -2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.687 -2.140 -2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.012 -1.902 -4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.035 -3.207 -4.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.478 -3.495 -4.125 1.00 0.00 H new ATOM 103 N PHE A 10 9.011 -1.991 2.300 1.00 0.00 N ATOM 104 CA PHE A 10 7.804 -2.037 3.116 1.00 0.00 C ATOM 105 C PHE A 10 6.573 -1.680 2.287 1.00 0.00 C ATOM 106 O PHE A 10 6.297 -0.507 2.041 1.00 0.00 O ATOM 107 CB PHE A 10 7.929 -1.079 4.303 1.00 0.00 C ATOM 108 CG PHE A 10 7.155 -1.519 5.512 1.00 0.00 C ATOM 109 CD1 PHE A 10 7.694 -2.437 6.399 1.00 0.00 C ATOM 110 CD2 PHE A 10 5.889 -1.015 5.763 1.00 0.00 C ATOM 111 CE1 PHE A 10 6.983 -2.845 7.513 1.00 0.00 C ATOM 112 CE2 PHE A 10 5.174 -1.418 6.875 1.00 0.00 C ATOM 113 CZ PHE A 10 5.723 -2.334 7.752 1.00 0.00 C ATOM 0 H PHE A 10 9.509 -1.101 2.333 1.00 0.00 H new ATOM 0 HA PHE A 10 7.686 -3.054 3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.981 -0.980 4.571 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.583 -0.091 4.000 1.00 0.00 H new ATOM 0 HD1 PHE A 10 8.680 -2.838 6.218 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.456 -0.298 5.081 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.413 -3.563 8.196 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.188 -1.018 7.058 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.167 -2.650 8.623 1.00 0.00 H new ATOM 123 N ALA A 11 5.839 -2.702 1.860 1.00 0.00 N ATOM 124 CA ALA A 11 4.637 -2.497 1.061 1.00 0.00 C ATOM 125 C ALA A 11 3.392 -2.950 1.816 1.00 0.00 C ATOM 126 O ALA A 11 3.477 -3.734 2.761 1.00 0.00 O ATOM 127 CB ALA A 11 4.752 -3.237 -0.264 1.00 0.00 C ATOM 0 H ALA A 11 6.055 -3.680 2.054 1.00 0.00 H new ATOM 0 HA ALA A 11 4.540 -1.430 0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.848 -3.075 -0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.614 -2.863 -0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.876 -4.303 -0.076 1.00 0.00 H new ATOM 133 N CYS A 12 2.235 -2.452 1.392 1.00 0.00 N ATOM 134 CA CYS A 12 0.971 -2.804 2.029 1.00 0.00 C ATOM 135 C CYS A 12 0.661 -4.286 1.839 1.00 0.00 C ATOM 136 O CYS A 12 0.783 -4.820 0.736 1.00 0.00 O ATOM 137 CB CYS A 12 -0.166 -1.956 1.455 1.00 0.00 C ATOM 138 SG CYS A 12 -1.826 -2.481 1.989 1.00 0.00 S ATOM 0 H CYS A 12 2.147 -1.803 0.610 1.00 0.00 H new ATOM 0 HA CYS A 12 1.062 -2.604 3.097 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.013 -0.917 1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.118 -1.991 0.367 1.00 0.00 H new ATOM 143 N ASP A 13 0.259 -4.943 2.921 1.00 0.00 N ATOM 144 CA ASP A 13 -0.070 -6.363 2.874 1.00 0.00 C ATOM 145 C ASP A 13 -1.429 -6.585 2.218 1.00 0.00 C ATOM 146 O ASP A 13 -1.545 -7.320 1.238 1.00 0.00 O ATOM 147 CB ASP A 13 -0.067 -6.956 4.284 1.00 0.00 C ATOM 148 CG ASP A 13 1.091 -6.451 5.122 1.00 0.00 C ATOM 149 OD1 ASP A 13 1.066 -5.267 5.517 1.00 0.00 O ATOM 150 OD2 ASP A 13 2.022 -7.241 5.384 1.00 0.00 O ATOM 0 H ASP A 13 0.153 -4.515 3.841 1.00 0.00 H new ATOM 0 HA ASP A 13 0.689 -6.867 2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.006 -6.710 4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.017 -8.043 4.218 1.00 0.00 H new ATOM 155 N TYR A 14 -2.456 -5.944 2.767 1.00 0.00 N ATOM 156 CA TYR A 14 -3.808 -6.074 2.237 1.00 0.00 C ATOM 157 C TYR A 14 -3.788 -6.207 0.718 1.00 0.00 C ATOM 158 O TYR A 14 -4.245 -7.207 0.164 1.00 0.00 O ATOM 159 CB TYR A 14 -4.655 -4.866 2.643 1.00 0.00 C ATOM 160 CG TYR A 14 -4.831 -4.726 4.139 1.00 0.00 C ATOM 161 CD1 TYR A 14 -5.559 -5.661 4.863 1.00 0.00 C ATOM 162 CD2 TYR A 14 -4.269 -3.657 4.826 1.00 0.00 C ATOM 163 CE1 TYR A 14 -5.723 -5.536 6.229 1.00 0.00 C ATOM 164 CE2 TYR A 14 -4.426 -3.525 6.192 1.00 0.00 C ATOM 165 CZ TYR A 14 -5.154 -4.466 6.889 1.00 0.00 C ATOM 166 OH TYR A 14 -5.314 -4.339 8.250 1.00 0.00 O ATOM 0 H TYR A 14 -2.378 -5.330 3.578 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.250 -6.978 2.656 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.191 -3.960 2.254 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.637 -4.947 2.176 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.005 -6.500 4.349 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.700 -2.917 4.283 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.293 -6.271 6.777 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.981 -2.689 6.711 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.851 -3.533 8.560 1.00 0.00 H new ATOM 176 N CYS A 15 -3.254 -5.191 0.048 1.00 0.00 N ATOM 177 CA CYS A 15 -3.173 -5.191 -1.407 1.00 0.00 C ATOM 178 C CYS A 15 -1.720 -5.147 -1.871 1.00 0.00 C ATOM 179 O CYS A 15 -0.828 -4.761 -1.115 1.00 0.00 O ATOM 180 CB CYS A 15 -3.940 -3.999 -1.983 1.00 0.00 C ATOM 181 SG CYS A 15 -3.154 -2.387 -1.666 1.00 0.00 S ATOM 0 H CYS A 15 -2.870 -4.356 0.491 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.625 -6.114 -1.770 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.046 -4.134 -3.059 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.946 -3.990 -1.563 1.00 0.00 H new ATOM 186 N SER A 16 -1.490 -5.545 -3.118 1.00 0.00 N ATOM 187 CA SER A 16 -0.145 -5.554 -3.682 1.00 0.00 C ATOM 188 C SER A 16 0.212 -4.187 -4.256 1.00 0.00 C ATOM 189 O SER A 16 0.615 -4.073 -5.414 1.00 0.00 O ATOM 190 CB SER A 16 -0.033 -6.622 -4.771 1.00 0.00 C ATOM 191 OG SER A 16 1.287 -7.130 -4.854 1.00 0.00 O ATOM 0 H SER A 16 -2.217 -5.865 -3.757 1.00 0.00 H new ATOM 0 HA SER A 16 0.557 -5.787 -2.881 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.726 -7.436 -4.559 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.324 -6.198 -5.732 1.00 0.00 H new ATOM 0 HG SER A 16 1.331 -7.812 -5.556 1.00 0.00 H new ATOM 197 N PHE A 17 0.062 -3.150 -3.438 1.00 0.00 N ATOM 198 CA PHE A 17 0.367 -1.789 -3.864 1.00 0.00 C ATOM 199 C PHE A 17 1.697 -1.322 -3.279 1.00 0.00 C ATOM 200 O PHE A 17 1.973 -1.521 -2.095 1.00 0.00 O ATOM 201 CB PHE A 17 -0.752 -0.836 -3.440 1.00 0.00 C ATOM 202 CG PHE A 17 -0.370 0.614 -3.527 1.00 0.00 C ATOM 203 CD1 PHE A 17 -0.475 1.300 -4.726 1.00 0.00 C ATOM 204 CD2 PHE A 17 0.094 1.290 -2.411 1.00 0.00 C ATOM 205 CE1 PHE A 17 -0.124 2.634 -4.809 1.00 0.00 C ATOM 206 CE2 PHE A 17 0.446 2.624 -2.488 1.00 0.00 C ATOM 207 CZ PHE A 17 0.337 3.297 -3.688 1.00 0.00 C ATOM 0 H PHE A 17 -0.269 -3.226 -2.476 1.00 0.00 H new ATOM 0 HA PHE A 17 0.446 -1.784 -4.951 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.625 -1.012 -4.068 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.045 -1.065 -2.415 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.835 0.787 -5.605 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.182 0.768 -1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.210 3.158 -5.749 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.806 3.140 -1.610 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.611 4.340 -3.751 1.00 0.00 H new ATOM 217 N THR A 18 2.520 -0.700 -4.118 1.00 0.00 N ATOM 218 CA THR A 18 3.821 -0.206 -3.686 1.00 0.00 C ATOM 219 C THR A 18 3.807 1.310 -3.523 1.00 0.00 C ATOM 220 O THR A 18 3.044 2.009 -4.191 1.00 0.00 O ATOM 221 CB THR A 18 4.928 -0.593 -4.684 1.00 0.00 C ATOM 222 OG1 THR A 18 4.584 -0.140 -5.998 1.00 0.00 O ATOM 223 CG2 THR A 18 5.140 -2.099 -4.701 1.00 0.00 C ATOM 0 H THR A 18 2.308 -0.527 -5.101 1.00 0.00 H new ATOM 0 HA THR A 18 4.032 -0.670 -2.723 1.00 0.00 H new ATOM 0 HB THR A 18 5.855 -0.115 -4.367 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.294 -0.389 -6.626 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.927 -2.348 -5.413 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.431 -2.437 -3.706 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.214 -2.593 -4.995 1.00 0.00 H new ATOM 231 N CYS A 19 4.655 1.812 -2.632 1.00 0.00 N ATOM 232 CA CYS A 19 4.740 3.246 -2.381 1.00 0.00 C ATOM 233 C CYS A 19 6.192 3.685 -2.221 1.00 0.00 C ATOM 234 O CYS A 19 7.047 2.900 -1.810 1.00 0.00 O ATOM 235 CB CYS A 19 3.942 3.614 -1.129 1.00 0.00 C ATOM 236 SG CYS A 19 3.462 5.356 -1.045 1.00 0.00 S ATOM 0 H CYS A 19 5.293 1.247 -2.072 1.00 0.00 H new ATOM 0 HA CYS A 19 4.315 3.766 -3.240 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.043 2.998 -1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.535 3.369 -0.248 1.00 0.00 H new ATOM 0 HG CYS A 19 2.467 5.493 -0.219 1.00 0.00 H new ATOM 242 N LEU A 20 6.463 4.944 -2.549 1.00 0.00 N ATOM 243 CA LEU A 20 7.813 5.488 -2.443 1.00 0.00 C ATOM 244 C LEU A 20 8.095 5.973 -1.025 1.00 0.00 C ATOM 245 O LEU A 20 9.049 5.531 -0.385 1.00 0.00 O ATOM 246 CB LEU A 20 7.999 6.638 -3.434 1.00 0.00 C ATOM 247 CG LEU A 20 8.514 6.252 -4.821 1.00 0.00 C ATOM 248 CD1 LEU A 20 9.763 5.392 -4.707 1.00 0.00 C ATOM 249 CD2 LEU A 20 7.433 5.524 -5.607 1.00 0.00 C ATOM 0 H LEU A 20 5.767 5.607 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 20 8.519 4.692 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.043 7.147 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.692 7.358 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 20 8.774 7.164 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.115 5.127 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.541 5.948 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.530 4.484 -4.151 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.817 5.257 -6.592 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.142 4.619 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.565 6.174 -5.720 1.00 0.00 H new ATOM 261 N SER A 21 7.256 6.882 -0.538 1.00 0.00 N ATOM 262 CA SER A 21 7.416 7.429 0.804 1.00 0.00 C ATOM 263 C SER A 21 6.632 6.606 1.822 1.00 0.00 C ATOM 264 O SER A 21 5.500 6.195 1.567 1.00 0.00 O ATOM 265 CB SER A 21 6.952 8.886 0.843 1.00 0.00 C ATOM 266 OG SER A 21 7.824 9.719 0.099 1.00 0.00 O ATOM 0 H SER A 21 6.459 7.255 -1.053 1.00 0.00 H new ATOM 0 HA SER A 21 8.474 7.386 1.064 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.942 8.960 0.440 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.909 9.230 1.876 1.00 0.00 H new ATOM 0 HG SER A 21 7.505 10.645 0.138 1.00 0.00 H new ATOM 272 N LYS A 22 7.242 6.370 2.979 1.00 0.00 N ATOM 273 CA LYS A 22 6.604 5.598 4.038 1.00 0.00 C ATOM 274 C LYS A 22 5.366 6.317 4.565 1.00 0.00 C ATOM 275 O LYS A 22 4.277 5.748 4.610 1.00 0.00 O ATOM 276 CB LYS A 22 7.589 5.350 5.182 1.00 0.00 C ATOM 277 CG LYS A 22 7.192 4.198 6.088 1.00 0.00 C ATOM 278 CD LYS A 22 6.274 4.659 7.208 1.00 0.00 C ATOM 279 CE LYS A 22 7.055 5.321 8.333 1.00 0.00 C ATOM 280 NZ LYS A 22 7.802 4.324 9.150 1.00 0.00 N ATOM 0 H LYS A 22 8.179 6.703 3.207 1.00 0.00 H new ATOM 0 HA LYS A 22 6.296 4.640 3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.575 5.149 4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.675 6.258 5.779 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.692 3.428 5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.087 3.744 6.514 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.539 5.360 6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.721 3.806 7.601 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.754 6.044 7.913 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.370 5.876 8.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.167 4.783 10.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.165 3.547 9.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.596 3.946 8.595 1.00 0.00 H new ATOM 294 N GLY A 23 5.542 7.574 4.962 1.00 0.00 N ATOM 295 CA GLY A 23 4.431 8.351 5.479 1.00 0.00 C ATOM 296 C GLY A 23 3.162 8.157 4.672 1.00 0.00 C ATOM 297 O GLY A 23 2.068 8.074 5.232 1.00 0.00 O ATOM 0 H GLY A 23 6.434 8.068 4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.245 8.069 6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.700 9.407 5.480 1.00 0.00 H new ATOM 301 N HIS A 24 3.307 8.084 3.353 1.00 0.00 N ATOM 302 CA HIS A 24 2.162 7.900 2.467 1.00 0.00 C ATOM 303 C HIS A 24 1.435 6.597 2.785 1.00 0.00 C ATOM 304 O HIS A 24 0.216 6.580 2.958 1.00 0.00 O ATOM 305 CB HIS A 24 2.615 7.902 1.007 1.00 0.00 C ATOM 306 CG HIS A 24 3.087 9.240 0.528 1.00 0.00 C ATOM 307 ND1 HIS A 24 3.778 10.215 1.165 1.00 0.00 N flip ATOM 308 CD2 HIS A 24 2.858 9.706 -0.749 1.00 0.00 C flip ATOM 309 CE1 HIS A 24 3.952 11.241 0.269 1.00 0.00 C flip ATOM 310 NE2 HIS A 24 3.389 10.909 -0.878 1.00 0.00 N flip ATOM 0 H HIS A 24 4.205 8.149 2.874 1.00 0.00 H new ATOM 0 HA HIS A 24 1.473 8.729 2.626 1.00 0.00 H new ATOM 0 HB2 HIS A 24 3.419 7.177 0.884 1.00 0.00 H new ATOM 0 HB3 HIS A 24 1.788 7.571 0.378 1.00 0.00 H new ATOM 0 HD2 HIS A 24 2.327 9.171 -1.523 1.00 0.00 H new ATOM 0 HE1 HIS A 24 4.466 12.169 0.470 1.00 0.00 H new ATOM 0 HE2 HIS A 24 3.368 11.483 -1.721 1.00 0.00 H new ATOM 318 N LEU A 25 2.190 5.506 2.858 1.00 0.00 N ATOM 319 CA LEU A 25 1.617 4.197 3.154 1.00 0.00 C ATOM 320 C LEU A 25 0.636 4.283 4.319 1.00 0.00 C ATOM 321 O LEU A 25 -0.450 3.705 4.274 1.00 0.00 O ATOM 322 CB LEU A 25 2.726 3.195 3.479 1.00 0.00 C ATOM 323 CG LEU A 25 2.268 1.836 4.010 1.00 0.00 C ATOM 324 CD1 LEU A 25 1.603 1.028 2.906 1.00 0.00 C ATOM 325 CD2 LEU A 25 3.443 1.070 4.600 1.00 0.00 C ATOM 0 H LEU A 25 3.200 5.502 2.716 1.00 0.00 H new ATOM 0 HA LEU A 25 1.075 3.857 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.315 3.030 2.577 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.391 3.645 4.216 1.00 0.00 H new ATOM 0 HG LEU A 25 1.536 2.004 4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.284 0.064 3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.736 1.571 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.312 0.869 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.098 0.106 4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.198 0.912 3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.875 1.643 5.420 1.00 0.00 H new ATOM 337 N LYS A 26 1.025 5.010 5.361 1.00 0.00 N ATOM 338 CA LYS A 26 0.179 5.175 6.537 1.00 0.00 C ATOM 339 C LYS A 26 -1.216 5.647 6.142 1.00 0.00 C ATOM 340 O LYS A 26 -2.218 5.169 6.674 1.00 0.00 O ATOM 341 CB LYS A 26 0.811 6.175 7.508 1.00 0.00 C ATOM 342 CG LYS A 26 -0.121 6.610 8.626 1.00 0.00 C ATOM 343 CD LYS A 26 -0.275 5.523 9.677 1.00 0.00 C ATOM 344 CE LYS A 26 -0.988 6.043 10.916 1.00 0.00 C ATOM 345 NZ LYS A 26 -0.121 6.952 11.716 1.00 0.00 N ATOM 0 H LYS A 26 1.921 5.494 5.415 1.00 0.00 H new ATOM 0 HA LYS A 26 0.090 4.206 7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.705 5.729 7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.133 7.055 6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.266 7.516 9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.098 6.858 8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.835 4.687 9.258 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.708 5.142 9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.893 6.573 10.618 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.300 5.202 11.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.551 7.109 12.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.818 6.521 11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.024 7.862 11.223 1.00 0.00 H new ATOM 359 N VAL A 27 -1.275 6.587 5.204 1.00 0.00 N ATOM 360 CA VAL A 27 -2.548 7.122 4.736 1.00 0.00 C ATOM 361 C VAL A 27 -3.215 6.168 3.751 1.00 0.00 C ATOM 362 O VAL A 27 -4.427 5.952 3.803 1.00 0.00 O ATOM 363 CB VAL A 27 -2.366 8.495 4.061 1.00 0.00 C ATOM 364 CG1 VAL A 27 -3.697 9.011 3.535 1.00 0.00 C ATOM 365 CG2 VAL A 27 -1.746 9.487 5.033 1.00 0.00 C ATOM 0 H VAL A 27 -0.456 6.994 4.753 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.185 7.239 5.613 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.689 8.379 3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.549 9.982 3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.097 8.308 2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.400 9.114 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.624 10.452 4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.397 9.602 5.900 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.772 9.119 5.356 1.00 0.00 H new ATOM 375 N HIS A 28 -2.417 5.599 2.854 1.00 0.00 N ATOM 376 CA HIS A 28 -2.930 4.666 1.856 1.00 0.00 C ATOM 377 C HIS A 28 -3.923 3.692 2.483 1.00 0.00 C ATOM 378 O HIS A 28 -4.993 3.440 1.929 1.00 0.00 O ATOM 379 CB HIS A 28 -1.779 3.894 1.210 1.00 0.00 C ATOM 380 CG HIS A 28 -2.201 2.595 0.595 1.00 0.00 C ATOM 381 ND1 HIS A 28 -2.929 2.517 -0.574 1.00 0.00 N ATOM 382 CD2 HIS A 28 -1.991 1.318 0.991 1.00 0.00 C ATOM 383 CE1 HIS A 28 -3.150 1.249 -0.868 1.00 0.00 C ATOM 384 NE2 HIS A 28 -2.591 0.501 0.065 1.00 0.00 N ATOM 0 H HIS A 28 -1.413 5.767 2.797 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.448 5.241 1.088 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.319 4.517 0.443 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.015 3.699 1.963 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -3.247 3.314 -1.125 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -1.452 1.001 1.871 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -3.696 0.885 -1.726 1.00 0.00 H new ATOM 392 N ILE A 29 -3.561 3.149 3.640 1.00 0.00 N ATOM 393 CA ILE A 29 -4.420 2.203 4.342 1.00 0.00 C ATOM 394 C ILE A 29 -5.505 2.928 5.132 1.00 0.00 C ATOM 395 O ILE A 29 -6.644 2.469 5.204 1.00 0.00 O ATOM 396 CB ILE A 29 -3.611 1.311 5.302 1.00 0.00 C ATOM 397 CG1 ILE A 29 -2.398 0.718 4.581 1.00 0.00 C ATOM 398 CG2 ILE A 29 -4.490 0.206 5.867 1.00 0.00 C ATOM 399 CD1 ILE A 29 -1.373 0.117 5.517 1.00 0.00 C ATOM 0 H ILE A 29 -2.679 3.348 4.112 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.885 1.575 3.582 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.255 1.924 6.130 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.738 -0.050 3.886 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.922 1.498 3.986 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.903 -0.416 6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.325 0.648 6.412 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.873 -0.407 5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.542 -0.284 4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.005 0.886 6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.833 -0.685 6.094 1.00 0.00 H new ATOM 411 N GLU A 30 -5.141 4.063 5.721 1.00 0.00 N ATOM 412 CA GLU A 30 -6.085 4.851 6.505 1.00 0.00 C ATOM 413 C GLU A 30 -7.280 5.273 5.656 1.00 0.00 C ATOM 414 O GLU A 30 -8.282 5.764 6.175 1.00 0.00 O ATOM 415 CB GLU A 30 -5.394 6.088 7.082 1.00 0.00 C ATOM 416 CG GLU A 30 -6.316 6.973 7.905 1.00 0.00 C ATOM 417 CD GLU A 30 -6.934 6.239 9.079 1.00 0.00 C ATOM 418 OE1 GLU A 30 -6.245 5.383 9.673 1.00 0.00 O ATOM 419 OE2 GLU A 30 -8.106 6.521 9.404 1.00 0.00 O ATOM 0 H GLU A 30 -4.201 4.457 5.670 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.445 4.229 7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.559 5.769 7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.976 6.675 6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.756 7.832 8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.109 7.360 7.265 1.00 0.00 H new ATOM 426 N ARG A 31 -7.166 5.077 4.346 1.00 0.00 N ATOM 427 CA ARG A 31 -8.235 5.439 3.423 1.00 0.00 C ATOM 428 C ARG A 31 -8.725 4.216 2.653 1.00 0.00 C ATOM 429 O ARG A 31 -9.902 3.861 2.715 1.00 0.00 O ATOM 430 CB ARG A 31 -7.753 6.511 2.445 1.00 0.00 C ATOM 431 CG ARG A 31 -7.271 7.783 3.124 1.00 0.00 C ATOM 432 CD ARG A 31 -8.406 8.776 3.318 1.00 0.00 C ATOM 433 NE ARG A 31 -7.927 10.067 3.805 1.00 0.00 N ATOM 434 CZ ARG A 31 -8.659 11.175 3.788 1.00 0.00 C ATOM 435 NH1 ARG A 31 -9.896 11.151 3.312 1.00 0.00 N ATOM 436 NH2 ARG A 31 -8.153 12.312 4.249 1.00 0.00 N ATOM 0 H ARG A 31 -6.344 4.670 3.900 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.065 5.837 4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.943 6.102 1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.565 6.759 1.762 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.833 7.537 4.091 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.484 8.241 2.525 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.930 8.917 2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.128 8.367 4.025 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.979 10.120 4.178 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.289 10.279 2.957 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.455 12.004 3.301 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.202 12.335 4.616 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.715 13.163 4.236 1.00 0.00 H new ATOM 450 N VAL A 32 -7.814 3.576 1.928 1.00 0.00 N ATOM 451 CA VAL A 32 -8.152 2.392 1.146 1.00 0.00 C ATOM 452 C VAL A 32 -8.713 1.288 2.035 1.00 0.00 C ATOM 453 O VAL A 32 -9.878 0.908 1.911 1.00 0.00 O ATOM 454 CB VAL A 32 -6.926 1.852 0.386 1.00 0.00 C ATOM 455 CG1 VAL A 32 -7.313 0.656 -0.471 1.00 0.00 C ATOM 456 CG2 VAL A 32 -6.301 2.948 -0.464 1.00 0.00 C ATOM 0 H VAL A 32 -6.836 3.857 1.865 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.912 2.695 0.425 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.185 1.522 1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.434 0.288 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.710 -0.134 0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.072 0.956 -1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.436 2.549 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.033 3.311 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.985 3.771 0.178 1.00 0.00 H new ATOM 466 N HIS A 33 -7.876 0.777 2.933 1.00 0.00 N ATOM 467 CA HIS A 33 -8.289 -0.284 3.845 1.00 0.00 C ATOM 468 C HIS A 33 -8.584 0.277 5.232 1.00 0.00 C ATOM 469 O HIS A 33 -7.718 0.285 6.108 1.00 0.00 O ATOM 470 CB HIS A 33 -7.204 -1.358 3.936 1.00 0.00 C ATOM 471 CG HIS A 33 -6.416 -1.521 2.673 1.00 0.00 C ATOM 472 ND1 HIS A 33 -6.907 -2.166 1.557 1.00 0.00 N ATOM 473 CD2 HIS A 33 -5.164 -1.118 2.352 1.00 0.00 C ATOM 474 CE1 HIS A 33 -5.991 -2.153 0.605 1.00 0.00 C ATOM 475 NE2 HIS A 33 -4.924 -1.523 1.062 1.00 0.00 N ATOM 0 H HIS A 33 -6.909 1.080 3.048 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.201 -0.733 3.452 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.523 -1.107 4.750 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.668 -2.311 4.191 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.833 -2.587 1.479 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.481 -0.578 2.991 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.097 -2.584 -0.380 1.00 0.00 H new ATOM 483 N LYS A 34 -9.812 0.746 5.427 1.00 0.00 N ATOM 484 CA LYS A 34 -10.223 1.309 6.708 1.00 0.00 C ATOM 485 C LYS A 34 -10.552 0.204 7.707 1.00 0.00 C ATOM 486 O LYS A 34 -11.592 0.238 8.365 1.00 0.00 O ATOM 487 CB LYS A 34 -11.437 2.221 6.521 1.00 0.00 C ATOM 488 CG LYS A 34 -11.674 3.164 7.688 1.00 0.00 C ATOM 489 CD LYS A 34 -10.732 4.355 7.642 1.00 0.00 C ATOM 490 CE LYS A 34 -11.284 5.533 8.431 1.00 0.00 C ATOM 491 NZ LYS A 34 -12.167 6.394 7.596 1.00 0.00 N ATOM 0 H LYS A 34 -10.541 0.747 4.713 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.393 1.896 7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.304 2.807 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.325 1.605 6.376 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.706 3.514 7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.536 2.626 8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.761 4.068 8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.571 4.653 6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.844 5.164 9.291 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.458 6.129 8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.523 7.185 8.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.626 6.767 6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.969 5.832 7.245 1.00 0.00 H new ATOM 505 N LYS A 35 -9.659 -0.774 7.816 1.00 0.00 N ATOM 506 CA LYS A 35 -9.853 -1.888 8.737 1.00 0.00 C ATOM 507 C LYS A 35 -11.205 -2.554 8.508 1.00 0.00 C ATOM 508 O LYS A 35 -11.893 -2.926 9.459 1.00 0.00 O ATOM 509 CB LYS A 35 -9.749 -1.403 10.185 1.00 0.00 C ATOM 510 CG LYS A 35 -8.361 -0.920 10.567 1.00 0.00 C ATOM 511 CD LYS A 35 -8.133 -1.008 12.066 1.00 0.00 C ATOM 512 CE LYS A 35 -7.832 -2.434 12.502 1.00 0.00 C ATOM 513 NZ LYS A 35 -7.616 -2.530 13.972 1.00 0.00 N ATOM 0 H LYS A 35 -8.794 -0.818 7.278 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.070 -2.623 8.549 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.462 -0.593 10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.039 -2.214 10.853 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.611 -1.518 10.048 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.230 0.111 10.238 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.305 -0.358 12.348 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.016 -0.645 12.591 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.658 -3.084 12.213 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.945 -2.794 11.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.414 -3.517 14.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.812 -1.929 14.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.471 -2.211 14.470 1.00 0.00 H new ATOM 527 N ILE A 36 -11.580 -2.704 7.242 1.00 0.00 N ATOM 528 CA ILE A 36 -12.849 -3.328 6.889 1.00 0.00 C ATOM 529 C ILE A 36 -12.890 -4.784 7.342 1.00 0.00 C ATOM 530 O ILE A 36 -11.897 -5.505 7.243 1.00 0.00 O ATOM 531 CB ILE A 36 -13.104 -3.266 5.372 1.00 0.00 C ATOM 532 CG1 ILE A 36 -14.401 -3.999 5.021 1.00 0.00 C ATOM 533 CG2 ILE A 36 -11.930 -3.865 4.612 1.00 0.00 C ATOM 534 CD1 ILE A 36 -15.648 -3.194 5.315 1.00 0.00 C ATOM 0 H ILE A 36 -11.022 -2.402 6.443 1.00 0.00 H new ATOM 0 HA ILE A 36 -13.630 -2.768 7.403 1.00 0.00 H new ATOM 0 HB ILE A 36 -13.207 -2.221 5.078 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.387 -4.259 3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -14.442 -4.935 5.578 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.126 -3.814 3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.024 -3.305 4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.798 -4.906 4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.529 -3.775 5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -15.685 -2.956 6.378 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.629 -2.270 4.737 1.00 0.00 H new ATOM 546 N LYS A 37 -14.046 -5.211 7.837 1.00 0.00 N ATOM 547 CA LYS A 37 -14.220 -6.582 8.303 1.00 0.00 C ATOM 548 C LYS A 37 -15.514 -7.180 7.762 1.00 0.00 C ATOM 549 O LYS A 37 -15.934 -8.234 8.236 1.00 0.00 O ATOM 550 CB LYS A 37 -14.226 -6.626 9.833 1.00 0.00 C ATOM 551 CG LYS A 37 -13.837 -7.978 10.404 1.00 0.00 C ATOM 552 CD LYS A 37 -14.408 -8.181 11.797 1.00 0.00 C ATOM 553 CE LYS A 37 -13.469 -7.645 12.867 1.00 0.00 C ATOM 554 NZ LYS A 37 -12.251 -8.490 13.010 1.00 0.00 N ATOM 0 H LYS A 37 -14.878 -4.627 7.926 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.383 -7.174 7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.539 -5.869 10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.221 -6.362 10.192 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.195 -8.769 9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.751 -8.060 10.440 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.372 -7.679 11.873 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.587 -9.243 11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.176 -6.626 12.616 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.994 -7.600 13.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.813 -8.314 13.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.514 -9.493 12.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.574 -8.253 12.257 1.00 0.00 H new TER 568 LYS A 37 HETATM 569 ZN ZN A 101 -3.173 -1.469 0.324 1.00 0.00 ZN