USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=13 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 19 CYS SG : rot 102:sc= -0.0576 USER MOD Single : A 1 GLY N :NH3+ -100:sc= 0.0594 (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 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 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 142:sc= -0.549 (180deg=-0.621) USER MOD Single : A 24 HIS :FLIP no HD1:sc= -0.486 F(o=-1.4,f=-0.49) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.46) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.344 -6.939 -16.859 1.00 0.00 N ATOM 2 CA GLY A 1 12.984 -5.839 -15.983 1.00 0.00 C ATOM 3 C GLY A 1 13.301 -6.127 -14.529 1.00 0.00 C ATOM 4 O GLY A 1 13.419 -7.286 -14.131 1.00 0.00 O ATOM 0 H1 GLY A 1 14.254 -6.733 -17.319 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.428 -7.813 -16.302 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.609 -7.060 -17.585 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.516 -4.940 -16.296 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.919 -5.631 -16.085 1.00 0.00 H new ATOM 8 N SER A 2 13.442 -5.071 -13.735 1.00 0.00 N ATOM 9 CA SER A 2 13.753 -5.216 -12.318 1.00 0.00 C ATOM 10 C SER A 2 12.853 -6.262 -11.668 1.00 0.00 C ATOM 11 O SER A 2 11.876 -6.714 -12.266 1.00 0.00 O ATOM 12 CB SER A 2 13.596 -3.874 -11.600 1.00 0.00 C ATOM 13 OG SER A 2 14.695 -3.021 -11.867 1.00 0.00 O ATOM 0 H SER A 2 13.346 -4.105 -14.049 1.00 0.00 H new ATOM 0 HA SER A 2 14.788 -5.548 -12.231 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.672 -3.393 -11.920 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.513 -4.040 -10.526 1.00 0.00 H new ATOM 0 HG SER A 2 14.570 -2.170 -11.398 1.00 0.00 H new ATOM 19 N SER A 3 13.189 -6.643 -10.440 1.00 0.00 N ATOM 20 CA SER A 3 12.414 -7.638 -9.709 1.00 0.00 C ATOM 21 C SER A 3 12.052 -7.130 -8.317 1.00 0.00 C ATOM 22 O SER A 3 12.120 -7.871 -7.336 1.00 0.00 O ATOM 23 CB SER A 3 13.199 -8.947 -9.599 1.00 0.00 C ATOM 24 OG SER A 3 12.956 -9.783 -10.717 1.00 0.00 O ATOM 0 H SER A 3 13.993 -6.277 -9.930 1.00 0.00 H new ATOM 0 HA SER A 3 11.492 -7.821 -10.261 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.265 -8.731 -9.528 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.918 -9.468 -8.684 1.00 0.00 H new ATOM 0 HG SER A 3 13.470 -10.612 -10.624 1.00 0.00 H new ATOM 30 N GLY A 4 11.667 -5.860 -8.238 1.00 0.00 N ATOM 31 CA GLY A 4 11.300 -5.274 -6.963 1.00 0.00 C ATOM 32 C GLY A 4 12.386 -4.376 -6.404 1.00 0.00 C ATOM 33 O GLY A 4 13.440 -4.853 -5.983 1.00 0.00 O ATOM 0 H GLY A 4 11.603 -5.227 -9.035 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.382 -4.698 -7.082 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.087 -6.069 -6.249 1.00 0.00 H new ATOM 37 N SER A 5 12.130 -3.071 -6.400 1.00 0.00 N ATOM 38 CA SER A 5 13.096 -2.104 -5.894 1.00 0.00 C ATOM 39 C SER A 5 13.343 -2.312 -4.403 1.00 0.00 C ATOM 40 O SER A 5 12.515 -1.947 -3.568 1.00 0.00 O ATOM 41 CB SER A 5 12.602 -0.678 -6.146 1.00 0.00 C ATOM 42 OG SER A 5 13.500 0.276 -5.605 1.00 0.00 O ATOM 0 H SER A 5 11.261 -2.660 -6.742 1.00 0.00 H new ATOM 0 HA SER A 5 14.036 -2.255 -6.425 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.492 -0.512 -7.218 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.616 -0.547 -5.700 1.00 0.00 H new ATOM 0 HG SER A 5 13.163 1.179 -5.781 1.00 0.00 H new ATOM 48 N SER A 6 14.488 -2.902 -4.076 1.00 0.00 N ATOM 49 CA SER A 6 14.844 -3.164 -2.686 1.00 0.00 C ATOM 50 C SER A 6 15.373 -1.900 -2.014 1.00 0.00 C ATOM 51 O SER A 6 16.176 -1.167 -2.590 1.00 0.00 O ATOM 52 CB SER A 6 15.893 -4.274 -2.606 1.00 0.00 C ATOM 53 OG SER A 6 15.770 -5.007 -1.400 1.00 0.00 O ATOM 0 H SER A 6 15.185 -3.208 -4.755 1.00 0.00 H new ATOM 0 HA SER A 6 13.945 -3.486 -2.161 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.781 -4.946 -3.457 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.891 -3.841 -2.671 1.00 0.00 H new ATOM 0 HG SER A 6 16.451 -5.711 -1.374 1.00 0.00 H new ATOM 59 N GLY A 7 14.916 -1.653 -0.790 1.00 0.00 N ATOM 60 CA GLY A 7 15.352 -0.478 -0.059 1.00 0.00 C ATOM 61 C GLY A 7 14.843 -0.461 1.369 1.00 0.00 C ATOM 62 O GLY A 7 14.764 -1.503 2.018 1.00 0.00 O ATOM 0 H GLY A 7 14.252 -2.246 -0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.441 -0.441 -0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.005 0.417 -0.576 1.00 0.00 H new ATOM 66 N GLU A 8 14.497 0.726 1.859 1.00 0.00 N ATOM 67 CA GLU A 8 13.996 0.873 3.220 1.00 0.00 C ATOM 68 C GLU A 8 12.528 1.292 3.216 1.00 0.00 C ATOM 69 O GLU A 8 12.209 2.476 3.323 1.00 0.00 O ATOM 70 CB GLU A 8 14.830 1.902 3.986 1.00 0.00 C ATOM 71 CG GLU A 8 16.092 1.323 4.604 1.00 0.00 C ATOM 72 CD GLU A 8 15.811 0.517 5.857 1.00 0.00 C ATOM 73 OE1 GLU A 8 14.697 -0.035 5.969 1.00 0.00 O ATOM 74 OE2 GLU A 8 16.705 0.438 6.725 1.00 0.00 O ATOM 0 H GLU A 8 14.555 1.599 1.334 1.00 0.00 H new ATOM 0 HA GLU A 8 14.079 -0.093 3.718 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.105 2.711 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.217 2.340 4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.592 0.688 3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.779 2.134 4.845 1.00 0.00 H new ATOM 81 N LYS A 9 11.639 0.313 3.092 1.00 0.00 N ATOM 82 CA LYS A 9 10.206 0.577 3.074 1.00 0.00 C ATOM 83 C LYS A 9 9.412 -0.725 3.061 1.00 0.00 C ATOM 84 O LYS A 9 9.979 -1.808 2.915 1.00 0.00 O ATOM 85 CB LYS A 9 9.837 1.425 1.854 1.00 0.00 C ATOM 86 CG LYS A 9 10.299 0.827 0.537 1.00 0.00 C ATOM 87 CD LYS A 9 9.273 -0.144 -0.025 1.00 0.00 C ATOM 88 CE LYS A 9 8.275 0.562 -0.929 1.00 0.00 C ATOM 89 NZ LYS A 9 7.059 -0.264 -1.165 1.00 0.00 N ATOM 0 H LYS A 9 11.887 -0.672 3.002 1.00 0.00 H new ATOM 0 HA LYS A 9 9.953 1.127 3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.755 1.554 1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.274 2.417 1.966 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.478 1.625 -0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.248 0.311 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.782 -0.929 -0.585 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.743 -0.630 0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.987 1.512 -0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.749 0.792 -1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.404 0.252 -1.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.331 -1.160 -1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.592 -0.462 -0.257 1.00 0.00 H new ATOM 103 N PHE A 10 8.097 -0.613 3.212 1.00 0.00 N ATOM 104 CA PHE A 10 7.225 -1.782 3.216 1.00 0.00 C ATOM 105 C PHE A 10 6.005 -1.554 2.327 1.00 0.00 C ATOM 106 O PHE A 10 5.433 -0.465 2.308 1.00 0.00 O ATOM 107 CB PHE A 10 6.777 -2.105 4.643 1.00 0.00 C ATOM 108 CG PHE A 10 7.895 -2.067 5.645 1.00 0.00 C ATOM 109 CD1 PHE A 10 8.351 -0.860 6.149 1.00 0.00 C ATOM 110 CD2 PHE A 10 8.489 -3.239 6.084 1.00 0.00 C ATOM 111 CE1 PHE A 10 9.380 -0.822 7.070 1.00 0.00 C ATOM 112 CE2 PHE A 10 9.519 -3.208 7.006 1.00 0.00 C ATOM 113 CZ PHE A 10 9.964 -1.998 7.501 1.00 0.00 C ATOM 0 H PHE A 10 7.611 0.276 3.333 1.00 0.00 H new ATOM 0 HA PHE A 10 7.789 -2.626 2.819 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.007 -1.395 4.943 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.321 -3.095 4.657 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.897 0.062 5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.144 -4.188 5.702 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.728 0.126 7.453 1.00 0.00 H new ATOM 0 HE2 PHE A 10 9.975 -4.129 7.339 1.00 0.00 H new ATOM 0 HZ PHE A 10 10.767 -1.971 8.223 1.00 0.00 H new ATOM 123 N ALA A 11 5.615 -2.590 1.592 1.00 0.00 N ATOM 124 CA ALA A 11 4.463 -2.505 0.703 1.00 0.00 C ATOM 125 C ALA A 11 3.202 -3.024 1.385 1.00 0.00 C ATOM 126 O ALA A 11 3.249 -3.992 2.146 1.00 0.00 O ATOM 127 CB ALA A 11 4.728 -3.280 -0.580 1.00 0.00 C ATOM 0 H ALA A 11 6.080 -3.498 1.595 1.00 0.00 H new ATOM 0 HA ALA A 11 4.304 -1.455 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.859 -3.208 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.599 -2.861 -1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.916 -4.327 -0.341 1.00 0.00 H new ATOM 133 N CYS A 12 2.076 -2.374 1.111 1.00 0.00 N ATOM 134 CA CYS A 12 0.802 -2.769 1.699 1.00 0.00 C ATOM 135 C CYS A 12 0.585 -4.274 1.569 1.00 0.00 C ATOM 136 O CYS A 12 0.560 -4.814 0.463 1.00 0.00 O ATOM 137 CB CYS A 12 -0.349 -2.017 1.027 1.00 0.00 C ATOM 138 SG CYS A 12 -1.977 -2.315 1.788 1.00 0.00 S ATOM 0 H CYS A 12 2.020 -1.571 0.485 1.00 0.00 H new ATOM 0 HA CYS A 12 0.825 -2.513 2.758 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.137 -0.948 1.056 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.393 -2.305 -0.023 1.00 0.00 H new ATOM 143 N ASP A 13 0.430 -4.944 2.705 1.00 0.00 N ATOM 144 CA ASP A 13 0.215 -6.386 2.719 1.00 0.00 C ATOM 145 C ASP A 13 -1.235 -6.722 2.383 1.00 0.00 C ATOM 146 O ASP A 13 -1.506 -7.618 1.583 1.00 0.00 O ATOM 147 CB ASP A 13 0.581 -6.965 4.086 1.00 0.00 C ATOM 148 CG ASP A 13 2.081 -7.054 4.294 1.00 0.00 C ATOM 149 OD1 ASP A 13 2.690 -6.030 4.669 1.00 0.00 O ATOM 150 OD2 ASP A 13 2.645 -8.148 4.082 1.00 0.00 O ATOM 0 H ASP A 13 0.449 -4.512 3.629 1.00 0.00 H new ATOM 0 HA ASP A 13 0.858 -6.832 1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.145 -6.345 4.869 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.144 -7.958 4.186 1.00 0.00 H new ATOM 155 N TYR A 14 -2.163 -5.999 3.000 1.00 0.00 N ATOM 156 CA TYR A 14 -3.585 -6.222 2.769 1.00 0.00 C ATOM 157 C TYR A 14 -3.873 -6.407 1.282 1.00 0.00 C ATOM 158 O TYR A 14 -4.462 -7.407 0.871 1.00 0.00 O ATOM 159 CB TYR A 14 -4.402 -5.051 3.317 1.00 0.00 C ATOM 160 CG TYR A 14 -4.268 -4.866 4.812 1.00 0.00 C ATOM 161 CD1 TYR A 14 -5.066 -5.584 5.695 1.00 0.00 C ATOM 162 CD2 TYR A 14 -3.344 -3.974 5.341 1.00 0.00 C ATOM 163 CE1 TYR A 14 -4.947 -5.417 7.061 1.00 0.00 C ATOM 164 CE2 TYR A 14 -3.217 -3.802 6.706 1.00 0.00 C ATOM 165 CZ TYR A 14 -4.022 -4.525 7.561 1.00 0.00 C ATOM 166 OH TYR A 14 -3.900 -4.357 8.922 1.00 0.00 O ATOM 0 H TYR A 14 -1.956 -5.253 3.664 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.874 -7.134 3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.089 -4.135 2.816 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.453 -5.205 3.071 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.791 -6.284 5.307 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.714 -3.405 4.674 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.575 -5.982 7.734 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.492 -3.106 7.101 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.203 -3.694 9.109 1.00 0.00 H new ATOM 176 N CYS A 15 -3.453 -5.435 0.480 1.00 0.00 N ATOM 177 CA CYS A 15 -3.664 -5.488 -0.962 1.00 0.00 C ATOM 178 C CYS A 15 -2.334 -5.436 -1.709 1.00 0.00 C ATOM 179 O CYS A 15 -1.272 -5.311 -1.099 1.00 0.00 O ATOM 180 CB CYS A 15 -4.558 -4.330 -1.410 1.00 0.00 C ATOM 181 SG CYS A 15 -3.697 -2.729 -1.532 1.00 0.00 S ATOM 0 H CYS A 15 -2.964 -4.600 0.804 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.156 -6.431 -1.198 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.990 -4.573 -2.381 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.386 -4.232 -0.708 1.00 0.00 H new ATOM 186 N SER A 16 -2.401 -5.534 -3.032 1.00 0.00 N ATOM 187 CA SER A 16 -1.203 -5.502 -3.863 1.00 0.00 C ATOM 188 C SER A 16 -0.856 -4.071 -4.262 1.00 0.00 C ATOM 189 O SER A 16 -0.551 -3.794 -5.422 1.00 0.00 O ATOM 190 CB SER A 16 -1.402 -6.359 -5.115 1.00 0.00 C ATOM 191 OG SER A 16 -1.710 -7.699 -4.772 1.00 0.00 O ATOM 0 H SER A 16 -3.272 -5.636 -3.552 1.00 0.00 H new ATOM 0 HA SER A 16 -0.376 -5.909 -3.281 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.206 -5.942 -5.721 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.498 -6.335 -5.724 1.00 0.00 H new ATOM 0 HG SER A 16 -1.834 -8.226 -5.589 1.00 0.00 H new ATOM 197 N PHE A 17 -0.907 -3.164 -3.292 1.00 0.00 N ATOM 198 CA PHE A 17 -0.599 -1.760 -3.541 1.00 0.00 C ATOM 199 C PHE A 17 0.890 -1.488 -3.354 1.00 0.00 C ATOM 200 O PHE A 17 1.559 -2.147 -2.556 1.00 0.00 O ATOM 201 CB PHE A 17 -1.414 -0.864 -2.606 1.00 0.00 C ATOM 202 CG PHE A 17 -0.975 0.572 -2.619 1.00 0.00 C ATOM 203 CD1 PHE A 17 -1.356 1.418 -3.648 1.00 0.00 C ATOM 204 CD2 PHE A 17 -0.182 1.077 -1.601 1.00 0.00 C ATOM 205 CE1 PHE A 17 -0.952 2.739 -3.662 1.00 0.00 C ATOM 206 CE2 PHE A 17 0.224 2.398 -1.609 1.00 0.00 C ATOM 207 CZ PHE A 17 -0.162 3.230 -2.641 1.00 0.00 C ATOM 0 H PHE A 17 -1.159 -3.376 -2.326 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.864 -1.533 -4.574 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.465 -0.917 -2.890 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.339 -1.250 -1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.976 1.041 -4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.123 0.430 -0.791 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.254 3.388 -4.471 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.842 2.779 -0.809 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.153 4.263 -2.650 1.00 0.00 H new ATOM 217 N THR A 18 1.406 -0.513 -4.096 1.00 0.00 N ATOM 218 CA THR A 18 2.816 -0.153 -4.014 1.00 0.00 C ATOM 219 C THR A 18 2.989 1.337 -3.743 1.00 0.00 C ATOM 220 O THR A 18 2.115 2.142 -4.067 1.00 0.00 O ATOM 221 CB THR A 18 3.564 -0.519 -5.309 1.00 0.00 C ATOM 222 OG1 THR A 18 3.375 -1.906 -5.611 1.00 0.00 O ATOM 223 CG2 THR A 18 5.051 -0.222 -5.177 1.00 0.00 C ATOM 0 H THR A 18 0.868 0.042 -4.761 1.00 0.00 H new ATOM 0 HA THR A 18 3.240 -0.720 -3.185 1.00 0.00 H new ATOM 0 HB THR A 18 3.158 0.087 -6.119 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.853 -2.129 -6.437 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.559 -0.489 -6.104 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.194 0.840 -4.978 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.467 -0.805 -4.355 1.00 0.00 H new ATOM 231 N CYS A 19 4.120 1.698 -3.149 1.00 0.00 N ATOM 232 CA CYS A 19 4.408 3.093 -2.835 1.00 0.00 C ATOM 233 C CYS A 19 5.909 3.359 -2.868 1.00 0.00 C ATOM 234 O CYS A 19 6.709 2.444 -3.070 1.00 0.00 O ATOM 235 CB CYS A 19 3.844 3.454 -1.460 1.00 0.00 C ATOM 236 SG CYS A 19 4.585 2.531 -0.092 1.00 0.00 S ATOM 0 H CYS A 19 4.853 1.044 -2.875 1.00 0.00 H new ATOM 0 HA CYS A 19 3.930 3.716 -3.591 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.992 4.520 -1.287 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.768 3.278 -1.463 1.00 0.00 H new ATOM 0 HG CYS A 19 5.447 3.285 0.523 1.00 0.00 H new ATOM 242 N LEU A 20 6.286 4.618 -2.671 1.00 0.00 N ATOM 243 CA LEU A 20 7.692 5.006 -2.680 1.00 0.00 C ATOM 244 C LEU A 20 8.142 5.455 -1.294 1.00 0.00 C ATOM 245 O LEU A 20 9.161 4.993 -0.782 1.00 0.00 O ATOM 246 CB LEU A 20 7.924 6.129 -3.693 1.00 0.00 C ATOM 247 CG LEU A 20 7.827 5.735 -5.167 1.00 0.00 C ATOM 248 CD1 LEU A 20 6.381 5.782 -5.637 1.00 0.00 C ATOM 249 CD2 LEU A 20 8.698 6.644 -6.022 1.00 0.00 C ATOM 0 H LEU A 20 5.637 5.387 -2.503 1.00 0.00 H new ATOM 0 HA LEU A 20 8.282 4.136 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.199 6.920 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.912 6.553 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 20 8.190 4.713 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.331 5.499 -6.688 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.783 5.089 -5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.991 6.793 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.616 6.348 -7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.366 7.676 -5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.736 6.560 -5.702 1.00 0.00 H new ATOM 261 N SER A 21 7.374 6.357 -0.691 1.00 0.00 N ATOM 262 CA SER A 21 7.694 6.870 0.636 1.00 0.00 C ATOM 263 C SER A 21 7.419 5.817 1.706 1.00 0.00 C ATOM 264 O SER A 21 6.864 4.755 1.422 1.00 0.00 O ATOM 265 CB SER A 21 6.883 8.134 0.927 1.00 0.00 C ATOM 266 OG SER A 21 7.576 8.990 1.818 1.00 0.00 O ATOM 0 H SER A 21 6.525 6.748 -1.101 1.00 0.00 H new ATOM 0 HA SER A 21 8.756 7.116 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.679 8.662 -0.005 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.919 7.861 1.356 1.00 0.00 H new ATOM 0 HG SER A 21 7.038 9.791 1.987 1.00 0.00 H new ATOM 272 N LYS A 22 7.811 6.120 2.939 1.00 0.00 N ATOM 273 CA LYS A 22 7.607 5.203 4.054 1.00 0.00 C ATOM 274 C LYS A 22 6.214 5.375 4.652 1.00 0.00 C ATOM 275 O LYS A 22 5.511 4.397 4.903 1.00 0.00 O ATOM 276 CB LYS A 22 8.668 5.433 5.132 1.00 0.00 C ATOM 277 CG LYS A 22 8.649 4.392 6.237 1.00 0.00 C ATOM 278 CD LYS A 22 9.934 4.416 7.049 1.00 0.00 C ATOM 279 CE LYS A 22 10.992 3.507 6.444 1.00 0.00 C ATOM 280 NZ LYS A 22 10.691 2.068 6.683 1.00 0.00 N ATOM 0 H LYS A 22 8.272 6.994 3.191 1.00 0.00 H new ATOM 0 HA LYS A 22 7.698 4.185 3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.653 5.437 4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.519 6.419 5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.799 4.574 6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.510 3.402 5.803 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.315 5.436 7.099 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.725 4.103 8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.058 3.691 5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.966 3.750 6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.951 1.515 5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.237 1.730 7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.675 1.953 6.873 1.00 0.00 H new ATOM 294 N GLY A 23 5.821 6.625 4.876 1.00 0.00 N ATOM 295 CA GLY A 23 4.513 6.902 5.441 1.00 0.00 C ATOM 296 C GLY A 23 3.390 6.646 4.456 1.00 0.00 C ATOM 297 O GLY A 23 2.227 6.534 4.845 1.00 0.00 O ATOM 0 H GLY A 23 6.385 7.451 4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.364 6.283 6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.475 7.941 5.769 1.00 0.00 H new ATOM 301 N HIS A 24 3.737 6.555 3.176 1.00 0.00 N ATOM 302 CA HIS A 24 2.748 6.312 2.131 1.00 0.00 C ATOM 303 C HIS A 24 1.945 5.049 2.427 1.00 0.00 C ATOM 304 O HIS A 24 0.842 4.867 1.911 1.00 0.00 O ATOM 305 CB HIS A 24 3.433 6.188 0.770 1.00 0.00 C ATOM 306 CG HIS A 24 2.553 6.569 -0.380 1.00 0.00 C ATOM 307 ND1 HIS A 24 1.714 5.825 -1.137 1.00 0.00 N flip ATOM 308 CD2 HIS A 24 2.473 7.855 -0.873 1.00 0.00 C flip ATOM 309 CE1 HIS A 24 1.146 6.666 -2.063 1.00 0.00 C flip ATOM 310 NE2 HIS A 24 1.621 7.885 -1.882 1.00 0.00 N flip ATOM 0 H HIS A 24 4.695 6.646 2.837 1.00 0.00 H new ATOM 0 HA HIS A 24 2.063 7.160 2.108 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.322 6.819 0.761 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.770 5.160 0.634 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.021 8.704 -0.493 1.00 0.00 H new ATOM 0 HE1 HIS A 24 0.428 6.377 -2.816 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.372 8.710 -2.429 1.00 0.00 H new ATOM 318 N LEU A 25 2.506 4.178 3.259 1.00 0.00 N ATOM 319 CA LEU A 25 1.842 2.931 3.623 1.00 0.00 C ATOM 320 C LEU A 25 0.845 3.155 4.755 1.00 0.00 C ATOM 321 O LEU A 25 -0.327 2.793 4.645 1.00 0.00 O ATOM 322 CB LEU A 25 2.876 1.883 4.039 1.00 0.00 C ATOM 323 CG LEU A 25 2.367 0.761 4.945 1.00 0.00 C ATOM 324 CD1 LEU A 25 1.413 -0.147 4.185 1.00 0.00 C ATOM 325 CD2 LEU A 25 3.532 -0.038 5.509 1.00 0.00 C ATOM 0 H LEU A 25 3.419 4.312 3.694 1.00 0.00 H new ATOM 0 HA LEU A 25 1.298 2.570 2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.292 1.434 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.694 2.391 4.549 1.00 0.00 H new ATOM 0 HG LEU A 25 1.824 1.209 5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.061 -0.939 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.562 0.435 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.931 -0.588 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.151 -0.832 6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.103 -0.476 4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.177 0.621 6.090 1.00 0.00 H new ATOM 337 N LYS A 26 1.316 3.757 5.842 1.00 0.00 N ATOM 338 CA LYS A 26 0.466 4.033 6.994 1.00 0.00 C ATOM 339 C LYS A 26 -0.749 4.861 6.587 1.00 0.00 C ATOM 340 O LYS A 26 -1.840 4.688 7.130 1.00 0.00 O ATOM 341 CB LYS A 26 1.260 4.770 8.074 1.00 0.00 C ATOM 342 CG LYS A 26 1.453 6.249 7.786 1.00 0.00 C ATOM 343 CD LYS A 26 1.853 7.013 9.036 1.00 0.00 C ATOM 344 CE LYS A 26 1.852 8.515 8.796 1.00 0.00 C ATOM 345 NZ LYS A 26 2.253 9.273 10.013 1.00 0.00 N ATOM 0 H LYS A 26 2.283 4.063 5.949 1.00 0.00 H new ATOM 0 HA LYS A 26 0.118 3.081 7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.747 4.659 9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.237 4.299 8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.219 6.375 7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.530 6.666 7.384 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.165 6.773 9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.845 6.695 9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.534 8.752 7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.857 8.832 8.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.239 10.292 9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.588 9.067 10.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.212 8.990 10.298 1.00 0.00 H new ATOM 359 N VAL A 27 -0.552 5.760 5.628 1.00 0.00 N ATOM 360 CA VAL A 27 -1.633 6.613 5.146 1.00 0.00 C ATOM 361 C VAL A 27 -2.509 5.875 4.141 1.00 0.00 C ATOM 362 O VAL A 27 -3.710 6.128 4.044 1.00 0.00 O ATOM 363 CB VAL A 27 -1.086 7.895 4.491 1.00 0.00 C ATOM 364 CG1 VAL A 27 -0.214 7.552 3.292 1.00 0.00 C ATOM 365 CG2 VAL A 27 -2.228 8.813 4.083 1.00 0.00 C ATOM 0 H VAL A 27 0.346 5.917 5.169 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.233 6.885 6.014 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.470 8.420 5.221 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.164 8.470 2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.624 6.935 3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.804 7.004 2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.824 9.714 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.872 8.298 3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.808 9.086 4.964 1.00 0.00 H new ATOM 375 N HIS A 28 -1.901 4.959 3.393 1.00 0.00 N ATOM 376 CA HIS A 28 -2.626 4.182 2.395 1.00 0.00 C ATOM 377 C HIS A 28 -3.873 3.546 3.002 1.00 0.00 C ATOM 378 O HIS A 28 -4.997 3.897 2.644 1.00 0.00 O ATOM 379 CB HIS A 28 -1.722 3.099 1.805 1.00 0.00 C ATOM 380 CG HIS A 28 -2.449 2.121 0.935 1.00 0.00 C ATOM 381 ND1 HIS A 28 -2.654 2.321 -0.414 1.00 0.00 N ATOM 382 CD2 HIS A 28 -3.019 0.929 1.228 1.00 0.00 C ATOM 383 CE1 HIS A 28 -3.321 1.295 -0.913 1.00 0.00 C ATOM 384 NE2 HIS A 28 -3.554 0.436 0.063 1.00 0.00 N ATOM 0 H HIS A 28 -0.908 4.737 3.460 1.00 0.00 H new ATOM 0 HA HIS A 28 -2.936 4.859 1.599 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.932 3.574 1.223 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.237 2.559 2.618 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -2.340 3.134 -0.944 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.048 0.454 2.197 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -3.624 1.179 -1.943 1.00 0.00 H new ATOM 392 N ILE A 29 -3.665 2.609 3.920 1.00 0.00 N ATOM 393 CA ILE A 29 -4.772 1.924 4.577 1.00 0.00 C ATOM 394 C ILE A 29 -5.699 2.917 5.270 1.00 0.00 C ATOM 395 O ILE A 29 -6.888 2.653 5.444 1.00 0.00 O ATOM 396 CB ILE A 29 -4.267 0.901 5.611 1.00 0.00 C ATOM 397 CG1 ILE A 29 -3.538 -0.248 4.912 1.00 0.00 C ATOM 398 CG2 ILE A 29 -5.427 0.372 6.442 1.00 0.00 C ATOM 399 CD1 ILE A 29 -2.055 -0.006 4.741 1.00 0.00 C ATOM 0 H ILE A 29 -2.740 2.306 4.226 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.324 1.398 3.798 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.564 1.399 6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.685 -1.163 5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.987 -0.410 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.055 -0.350 7.169 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.906 1.199 6.966 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.152 -0.112 5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.602 -0.861 4.238 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.899 0.891 4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.593 0.126 5.719 1.00 0.00 H new ATOM 411 N GLU A 30 -5.145 4.060 5.662 1.00 0.00 N ATOM 412 CA GLU A 30 -5.923 5.093 6.336 1.00 0.00 C ATOM 413 C GLU A 30 -7.183 5.430 5.543 1.00 0.00 C ATOM 414 O GLU A 30 -8.258 5.613 6.114 1.00 0.00 O ATOM 415 CB GLU A 30 -5.078 6.354 6.530 1.00 0.00 C ATOM 416 CG GLU A 30 -5.460 7.159 7.761 1.00 0.00 C ATOM 417 CD GLU A 30 -4.694 8.463 7.866 1.00 0.00 C ATOM 418 OE1 GLU A 30 -3.458 8.441 7.686 1.00 0.00 O ATOM 419 OE2 GLU A 30 -5.329 9.506 8.128 1.00 0.00 O ATOM 0 H GLU A 30 -4.162 4.294 5.525 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.220 4.709 7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.028 6.070 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.176 6.986 5.648 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.529 7.371 7.735 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.276 6.561 8.653 1.00 0.00 H new ATOM 426 N ARG A 31 -7.041 5.510 4.224 1.00 0.00 N ATOM 427 CA ARG A 31 -8.166 5.826 3.352 1.00 0.00 C ATOM 428 C ARG A 31 -8.337 4.757 2.276 1.00 0.00 C ATOM 429 O ARG A 31 -9.387 4.123 2.178 1.00 0.00 O ATOM 430 CB ARG A 31 -7.964 7.194 2.699 1.00 0.00 C ATOM 431 CG ARG A 31 -7.767 8.323 3.698 1.00 0.00 C ATOM 432 CD ARG A 31 -6.902 9.432 3.122 1.00 0.00 C ATOM 433 NE ARG A 31 -7.618 10.224 2.126 1.00 0.00 N ATOM 434 CZ ARG A 31 -7.015 10.945 1.187 1.00 0.00 C ATOM 435 NH1 ARG A 31 -5.691 10.974 1.118 1.00 0.00 N ATOM 436 NH2 ARG A 31 -7.735 11.639 0.316 1.00 0.00 N ATOM 0 H ARG A 31 -6.158 5.360 3.736 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.069 5.852 3.961 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.097 7.148 2.040 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.828 7.420 2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.737 8.729 3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.304 7.932 4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.564 10.083 3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.011 8.998 2.668 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.638 10.224 2.153 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.134 10.442 1.787 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.230 11.528 0.396 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.754 11.620 0.366 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.270 12.192 -0.404 1.00 0.00 H new ATOM 450 N VAL A 32 -7.297 4.564 1.471 1.00 0.00 N ATOM 451 CA VAL A 32 -7.332 3.572 0.402 1.00 0.00 C ATOM 452 C VAL A 32 -8.159 2.358 0.806 1.00 0.00 C ATOM 453 O VAL A 32 -8.904 1.803 -0.003 1.00 0.00 O ATOM 454 CB VAL A 32 -5.913 3.109 0.020 1.00 0.00 C ATOM 455 CG1 VAL A 32 -5.970 2.077 -1.095 1.00 0.00 C ATOM 456 CG2 VAL A 32 -5.056 4.299 -0.386 1.00 0.00 C ATOM 0 H VAL A 32 -6.420 5.081 1.538 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.794 4.052 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.455 2.641 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.958 1.762 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.546 1.213 -0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.447 2.515 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.057 3.954 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.508 4.798 -1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.988 4.999 0.447 1.00 0.00 H new ATOM 466 N HIS A 33 -8.025 1.949 2.064 1.00 0.00 N ATOM 467 CA HIS A 33 -8.762 0.799 2.577 1.00 0.00 C ATOM 468 C HIS A 33 -10.005 1.247 3.339 1.00 0.00 C ATOM 469 O HIS A 33 -11.127 1.120 2.848 1.00 0.00 O ATOM 470 CB HIS A 33 -7.867 -0.042 3.487 1.00 0.00 C ATOM 471 CG HIS A 33 -6.930 -0.941 2.741 1.00 0.00 C ATOM 472 ND1 HIS A 33 -7.107 -2.305 2.651 1.00 0.00 N ATOM 473 CD2 HIS A 33 -5.802 -0.663 2.045 1.00 0.00 C ATOM 474 CE1 HIS A 33 -6.128 -2.828 1.934 1.00 0.00 C ATOM 475 NE2 HIS A 33 -5.323 -1.852 1.554 1.00 0.00 N ATOM 0 H HIS A 33 -7.413 2.397 2.747 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.077 0.192 1.728 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.287 0.623 4.127 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.494 -0.647 4.141 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.874 -2.829 3.072 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -5.361 0.313 1.903 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.007 -3.875 1.699 1.00 0.00 H new ATOM 483 N LYS A 34 -9.799 1.771 4.543 1.00 0.00 N ATOM 484 CA LYS A 34 -10.902 2.238 5.374 1.00 0.00 C ATOM 485 C LYS A 34 -10.451 3.372 6.289 1.00 0.00 C ATOM 486 O LYS A 34 -9.343 3.347 6.826 1.00 0.00 O ATOM 487 CB LYS A 34 -11.462 1.085 6.210 1.00 0.00 C ATOM 488 CG LYS A 34 -12.581 0.322 5.522 1.00 0.00 C ATOM 489 CD LYS A 34 -12.612 -1.133 5.956 1.00 0.00 C ATOM 490 CE LYS A 34 -11.676 -1.986 5.114 1.00 0.00 C ATOM 491 NZ LYS A 34 -12.156 -3.391 5.001 1.00 0.00 N ATOM 0 H LYS A 34 -8.877 1.883 4.965 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.685 2.615 4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.654 0.393 6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.831 1.480 7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.538 0.792 5.752 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.450 0.378 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.328 -1.207 7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.629 -1.517 5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.586 -1.552 4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.680 -1.977 5.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.491 -3.939 4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.218 -3.814 5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.096 -3.402 4.555 1.00 0.00 H new ATOM 505 N LYS A 35 -11.317 4.365 6.464 1.00 0.00 N ATOM 506 CA LYS A 35 -11.010 5.507 7.317 1.00 0.00 C ATOM 507 C LYS A 35 -11.768 5.420 8.638 1.00 0.00 C ATOM 508 O LYS A 35 -12.874 5.946 8.764 1.00 0.00 O ATOM 509 CB LYS A 35 -11.360 6.813 6.601 1.00 0.00 C ATOM 510 CG LYS A 35 -10.794 8.049 7.279 1.00 0.00 C ATOM 511 CD LYS A 35 -10.872 9.267 6.373 1.00 0.00 C ATOM 512 CE LYS A 35 -12.239 9.929 6.446 1.00 0.00 C ATOM 513 NZ LYS A 35 -13.182 9.369 5.438 1.00 0.00 N ATOM 0 H LYS A 35 -12.237 4.402 6.026 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.941 5.492 7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.988 6.768 5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.444 6.906 6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.343 8.244 8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.756 7.869 7.559 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.103 9.985 6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.664 8.971 5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.654 9.795 7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.132 11.002 6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.785 10.130 5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.643 8.942 4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.777 8.643 5.885 1.00 0.00 H new ATOM 527 N ILE A 36 -11.166 4.754 9.617 1.00 0.00 N ATOM 528 CA ILE A 36 -11.785 4.601 10.929 1.00 0.00 C ATOM 529 C ILE A 36 -12.503 5.878 11.350 1.00 0.00 C ATOM 530 O ILE A 36 -11.957 6.976 11.239 1.00 0.00 O ATOM 531 CB ILE A 36 -10.744 4.232 12.002 1.00 0.00 C ATOM 532 CG1 ILE A 36 -10.042 5.491 12.517 1.00 0.00 C ATOM 533 CG2 ILE A 36 -9.730 3.246 11.441 1.00 0.00 C ATOM 534 CD1 ILE A 36 -9.270 6.232 11.448 1.00 0.00 C ATOM 0 H ILE A 36 -10.251 4.312 9.528 1.00 0.00 H new ATOM 0 HA ILE A 36 -12.510 3.791 10.844 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.259 3.757 12.838 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.786 6.162 12.948 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.360 5.214 13.320 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.001 2.995 12.212 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.243 2.340 11.119 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.218 3.695 10.590 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.799 7.113 11.884 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.503 5.578 11.034 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.951 6.540 10.655 1.00 0.00 H new ATOM 546 N LYS A 37 -13.730 5.728 11.836 1.00 0.00 N ATOM 547 CA LYS A 37 -14.524 6.868 12.278 1.00 0.00 C ATOM 548 C LYS A 37 -13.872 7.554 13.474 1.00 0.00 C ATOM 549 O LYS A 37 -12.952 6.989 14.063 1.00 0.00 O ATOM 550 CB LYS A 37 -15.940 6.418 12.644 1.00 0.00 C ATOM 551 CG LYS A 37 -16.986 7.509 12.483 1.00 0.00 C ATOM 552 CD LYS A 37 -18.349 7.051 12.973 1.00 0.00 C ATOM 553 CE LYS A 37 -19.045 6.172 11.945 1.00 0.00 C ATOM 554 NZ LYS A 37 -19.727 6.980 10.896 1.00 0.00 N ATOM 0 H LYS A 37 -14.197 4.826 11.934 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.577 7.582 11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.215 5.568 12.020 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -15.946 6.070 13.677 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.678 8.395 13.038 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.054 7.798 11.434 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -18.235 6.500 13.907 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -18.970 7.920 13.190 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.315 5.512 11.477 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.775 5.536 12.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.189 6.345 10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.442 7.592 11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.027 7.568 10.401 1.00 0.00 H new TER 568 LYS A 37 HETATM 569 ZN ZN A 101 -3.695 -1.589 0.372 1.00 0.00 ZN