USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 301 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.024) USER MOD Single : A 3 GLN : amide:sc= -0.0392 X(o=-0.039,f=-0.15) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0442) USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0079) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -151:sc= 1.23 (180deg=0.802) USER MOD Single : A 16 LYS NZ :NH3+ -138:sc= 0.618 (180deg=0.0229) USER MOD Single : A 22 SER OG : rot -62:sc= 0.0918 USER MOD Single : A 23 SER OG : rot 37:sc= 0.928 USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0616) USER MOD Single : A 28 MET CE :methyl 174:sc= -1.67 (180deg=-2.23) USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= 1.31 (180deg=1.15) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0979) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 2 29.778 -44.921 9.992 1.00 0.00 N ATOM 25 CA LYS A 2 30.634 -43.735 9.876 1.00 0.00 C ATOM 26 C LYS A 2 32.114 -44.077 10.105 1.00 0.00 C ATOM 27 O LYS A 2 32.959 -43.799 9.253 1.00 0.00 O ATOM 28 CB LYS A 2 30.107 -42.689 10.869 1.00 0.00 C ATOM 29 CG LYS A 2 30.578 -41.265 10.558 1.00 0.00 C ATOM 30 CD LYS A 2 29.843 -40.674 9.349 1.00 0.00 C ATOM 31 CE LYS A 2 30.209 -39.207 9.113 1.00 0.00 C ATOM 32 NZ LYS A 2 31.611 -39.089 8.674 1.00 0.00 N ATOM 0 HA LYS A 2 30.591 -43.331 8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 2 29.017 -42.712 10.866 1.00 0.00 H new ATOM 0 HB3 LYS A 2 30.429 -42.959 11.875 1.00 0.00 H new ATOM 0 HG2 LYS A 2 30.415 -40.630 11.429 1.00 0.00 H new ATOM 0 HG3 LYS A 2 31.651 -41.271 10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 2 30.085 -41.255 8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 2 28.767 -40.759 9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 2 29.548 -38.778 8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 2 30.060 -38.637 10.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 31.818 -38.098 8.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 32.242 -39.401 9.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 31.763 -39.685 7.835 1.00 0.00 H new ATOM 46 N GLN A 3 32.445 -44.689 11.238 1.00 0.00 N ATOM 47 CA GLN A 3 33.845 -45.068 11.485 1.00 0.00 C ATOM 48 C GLN A 3 34.252 -46.320 10.695 1.00 0.00 C ATOM 49 O GLN A 3 35.318 -46.355 10.079 1.00 0.00 O ATOM 50 CB GLN A 3 34.055 -45.300 12.986 1.00 0.00 C ATOM 51 CG GLN A 3 35.532 -45.492 13.348 1.00 0.00 C ATOM 52 CD GLN A 3 36.368 -44.234 13.150 1.00 0.00 C ATOM 53 OE1 GLN A 3 36.930 -43.985 12.085 1.00 0.00 O ATOM 54 NE2 GLN A 3 36.474 -43.431 14.190 1.00 0.00 N ATOM 0 H GLN A 3 31.791 -44.930 11.983 1.00 0.00 H new ATOM 0 HA GLN A 3 34.479 -44.250 11.143 1.00 0.00 H new ATOM 0 HB2 GLN A 3 33.655 -44.451 13.541 1.00 0.00 H new ATOM 0 HB3 GLN A 3 33.490 -46.179 13.297 1.00 0.00 H new ATOM 0 HG2 GLN A 3 35.606 -45.809 14.388 1.00 0.00 H new ATOM 0 HG3 GLN A 3 35.947 -46.295 12.739 1.00 0.00 H new ATOM 0 HE21 GLN A 3 35.998 -43.661 15.062 1.00 0.00 H new ATOM 0 HE22 GLN A 3 37.032 -42.580 14.122 1.00 0.00 H new ATOM 63 N CYS A 4 33.433 -47.367 10.738 1.00 0.00 N ATOM 64 CA CYS A 4 33.843 -48.649 10.146 1.00 0.00 C ATOM 65 C CYS A 4 34.048 -48.587 8.627 1.00 0.00 C ATOM 66 O CYS A 4 34.994 -49.169 8.097 1.00 0.00 O ATOM 67 CB CYS A 4 32.814 -49.721 10.511 1.00 0.00 C ATOM 68 SG CYS A 4 32.732 -49.895 12.301 1.00 0.00 S ATOM 0 H CYS A 4 32.506 -47.363 11.163 1.00 0.00 H new ATOM 0 HA CYS A 4 34.818 -48.901 10.562 1.00 0.00 H new ATOM 0 HB2 CYS A 4 31.835 -49.449 10.117 1.00 0.00 H new ATOM 0 HB3 CYS A 4 33.088 -50.672 10.055 1.00 0.00 H new ATOM 73 N HIS A 5 33.180 -47.877 7.917 1.00 0.00 N ATOM 74 CA HIS A 5 33.332 -47.771 6.459 1.00 0.00 C ATOM 75 C HIS A 5 34.589 -46.986 6.040 1.00 0.00 C ATOM 76 O HIS A 5 35.152 -47.229 4.973 1.00 0.00 O ATOM 77 CB HIS A 5 32.054 -47.117 5.922 1.00 0.00 C ATOM 78 CG HIS A 5 31.901 -47.252 4.425 1.00 0.00 C ATOM 79 ND1 HIS A 5 32.368 -46.335 3.500 1.00 0.00 N ATOM 80 CD2 HIS A 5 31.181 -48.272 3.786 1.00 0.00 C ATOM 81 CE1 HIS A 5 31.880 -46.894 2.348 1.00 0.00 C ATOM 82 NE2 HIS A 5 31.162 -48.060 2.417 1.00 0.00 N ATOM 0 H HIS A 5 32.382 -47.376 8.307 1.00 0.00 H new ATOM 0 HA HIS A 5 33.471 -48.765 6.034 1.00 0.00 H new ATOM 0 HB2 HIS A 5 31.190 -47.567 6.411 1.00 0.00 H new ATOM 0 HB3 HIS A 5 32.056 -46.060 6.187 1.00 0.00 H new ATOM 0 HD2 HIS A 5 30.709 -49.103 4.289 1.00 0.00 H new ATOM 0 HE1 HIS A 5 32.059 -46.420 1.394 1.00 0.00 H new ATOM 0 HE2 HIS A 5 30.736 -48.613 1.673 1.00 0.00 H new ATOM 91 N LYS A 6 35.028 -46.039 6.863 1.00 0.00 N ATOM 92 CA LYS A 6 36.221 -45.248 6.524 1.00 0.00 C ATOM 93 C LYS A 6 37.519 -46.069 6.616 1.00 0.00 C ATOM 94 O LYS A 6 38.337 -46.035 5.698 1.00 0.00 O ATOM 95 CB LYS A 6 36.252 -44.023 7.447 1.00 0.00 C ATOM 96 CG LYS A 6 37.365 -43.039 7.070 1.00 0.00 C ATOM 97 CD LYS A 6 37.418 -41.871 8.061 1.00 0.00 C ATOM 98 CE LYS A 6 38.429 -40.796 7.648 1.00 0.00 C ATOM 99 NZ LYS A 6 39.803 -41.330 7.645 1.00 0.00 N ATOM 0 H LYS A 6 34.591 -45.799 7.753 1.00 0.00 H new ATOM 0 HA LYS A 6 36.159 -44.930 5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 6 35.289 -43.513 7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 6 36.393 -44.350 8.477 1.00 0.00 H new ATOM 0 HG2 LYS A 6 38.325 -43.556 7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 6 37.195 -42.659 6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 6 36.428 -41.422 8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 6 37.678 -42.249 9.050 1.00 0.00 H new ATOM 0 HE2 LYS A 6 38.180 -40.421 6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 6 38.366 -39.951 8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 40.473 -40.564 7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 40.023 -41.728 8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 39.884 -42.075 6.924 1.00 0.00 H new ATOM 113 N LYS A 7 37.737 -46.797 7.709 1.00 0.00 N ATOM 114 CA LYS A 7 38.976 -47.581 7.831 1.00 0.00 C ATOM 115 C LYS A 7 38.973 -48.816 6.918 1.00 0.00 C ATOM 116 O LYS A 7 39.940 -49.070 6.199 1.00 0.00 O ATOM 117 CB LYS A 7 39.178 -48.025 9.285 1.00 0.00 C ATOM 118 CG LYS A 7 39.423 -46.856 10.242 1.00 0.00 C ATOM 119 CD LYS A 7 39.653 -47.380 11.661 1.00 0.00 C ATOM 120 CE LYS A 7 39.821 -46.254 12.684 1.00 0.00 C ATOM 121 NZ LYS A 7 41.101 -45.552 12.481 1.00 0.00 N ATOM 0 H LYS A 7 37.099 -46.865 8.502 1.00 0.00 H new ATOM 0 HA LYS A 7 39.797 -46.935 7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 7 38.299 -48.579 9.615 1.00 0.00 H new ATOM 0 HB3 LYS A 7 40.024 -48.711 9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 7 40.289 -46.281 9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 7 38.568 -46.180 10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 7 38.812 -48.009 11.953 1.00 0.00 H new ATOM 0 HD3 LYS A 7 40.542 -48.011 11.672 1.00 0.00 H new ATOM 0 HE2 LYS A 7 38.995 -45.548 12.594 1.00 0.00 H new ATOM 0 HE3 LYS A 7 39.781 -46.664 13.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 41.219 -44.826 13.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 41.884 -46.234 12.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 41.104 -45.100 11.544 1.00 0.00 H new ATOM 135 N GLY A 8 37.908 -49.607 6.969 1.00 0.00 N ATOM 136 CA GLY A 8 37.885 -50.870 6.220 1.00 0.00 C ATOM 137 C GLY A 8 37.298 -51.977 7.089 1.00 0.00 C ATOM 138 O GLY A 8 37.997 -52.895 7.519 1.00 0.00 O ATOM 0 H GLY A 8 37.064 -49.409 7.506 1.00 0.00 H new ATOM 0 HA2 GLY A 8 37.292 -50.754 5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 8 38.895 -51.137 5.909 1.00 0.00 H new ATOM 142 N GLY A 9 36.004 -51.882 7.362 1.00 0.00 N ATOM 143 CA GLY A 9 35.370 -52.860 8.248 1.00 0.00 C ATOM 144 C GLY A 9 33.847 -52.785 8.158 1.00 0.00 C ATOM 145 O GLY A 9 33.267 -51.822 7.654 1.00 0.00 O ATOM 0 H GLY A 9 35.383 -51.160 6.996 1.00 0.00 H new ATOM 0 HA2 GLY A 9 35.703 -53.863 7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 9 35.685 -52.681 9.276 1.00 0.00 H new ATOM 149 N HIS A 10 33.195 -53.827 8.653 1.00 0.00 N ATOM 150 CA HIS A 10 31.723 -53.871 8.628 1.00 0.00 C ATOM 151 C HIS A 10 31.238 -54.409 9.974 1.00 0.00 C ATOM 152 O HIS A 10 31.854 -55.303 10.555 1.00 0.00 O ATOM 153 CB HIS A 10 31.232 -54.810 7.519 1.00 0.00 C ATOM 154 CG HIS A 10 31.581 -54.323 6.129 1.00 0.00 C ATOM 155 ND1 HIS A 10 30.755 -53.551 5.330 1.00 0.00 N ATOM 156 CD2 HIS A 10 32.793 -54.583 5.473 1.00 0.00 C ATOM 157 CE1 HIS A 10 31.567 -53.393 4.237 1.00 0.00 C ATOM 158 NE2 HIS A 10 32.805 -53.980 4.228 1.00 0.00 N ATOM 0 H HIS A 10 33.642 -54.643 9.071 1.00 0.00 H new ATOM 0 HA HIS A 10 31.335 -52.870 8.441 1.00 0.00 H new ATOM 0 HB2 HIS A 10 31.665 -55.799 7.670 1.00 0.00 H new ATOM 0 HB3 HIS A 10 30.150 -54.921 7.598 1.00 0.00 H new ATOM 0 HD2 HIS A 10 33.602 -55.170 5.882 1.00 0.00 H new ATOM 0 HE1 HIS A 10 31.234 -52.811 3.390 1.00 0.00 H new ATOM 0 HE2 HIS A 10 33.528 -53.974 3.509 1.00 0.00 H new ATOM 167 N CYS A 11 30.116 -53.899 10.470 1.00 0.00 N ATOM 168 CA CYS A 11 29.614 -54.381 11.764 1.00 0.00 C ATOM 169 C CYS A 11 28.901 -55.724 11.621 1.00 0.00 C ATOM 170 O CYS A 11 28.054 -55.927 10.750 1.00 0.00 O ATOM 171 CB CYS A 11 28.628 -53.378 12.358 1.00 0.00 C ATOM 172 SG CYS A 11 29.483 -51.875 12.840 1.00 0.00 S ATOM 0 H CYS A 11 29.550 -53.179 10.021 1.00 0.00 H new ATOM 0 HA CYS A 11 30.477 -54.499 12.419 1.00 0.00 H new ATOM 0 HB2 CYS A 11 27.852 -53.145 11.629 1.00 0.00 H new ATOM 0 HB3 CYS A 11 28.131 -53.815 13.224 1.00 0.00 H new ATOM 177 N PHE A 12 29.240 -56.637 12.520 1.00 0.00 N ATOM 178 CA PHE A 12 28.564 -57.939 12.556 1.00 0.00 C ATOM 179 C PHE A 12 28.340 -58.322 14.024 1.00 0.00 C ATOM 180 O PHE A 12 29.182 -58.024 14.873 1.00 0.00 O ATOM 181 CB PHE A 12 29.442 -59.024 11.916 1.00 0.00 C ATOM 182 CG PHE A 12 29.804 -58.761 10.465 1.00 0.00 C ATOM 183 CD1 PHE A 12 28.843 -58.715 9.511 1.00 0.00 C ATOM 184 CD2 PHE A 12 31.104 -58.598 10.118 1.00 0.00 C ATOM 185 CE1 PHE A 12 29.179 -58.492 8.220 1.00 0.00 C ATOM 186 CE2 PHE A 12 31.441 -58.381 8.826 1.00 0.00 C ATOM 187 CZ PHE A 12 30.478 -58.325 7.877 1.00 0.00 C ATOM 0 H PHE A 12 29.966 -56.511 13.226 1.00 0.00 H new ATOM 0 HA PHE A 12 27.624 -57.866 12.009 1.00 0.00 H new ATOM 0 HB2 PHE A 12 30.360 -59.120 12.495 1.00 0.00 H new ATOM 0 HB3 PHE A 12 28.923 -59.980 11.981 1.00 0.00 H new ATOM 0 HD1 PHE A 12 27.807 -58.857 9.782 1.00 0.00 H new ATOM 0 HD2 PHE A 12 31.873 -58.641 10.875 1.00 0.00 H new ATOM 0 HE1 PHE A 12 28.411 -58.447 7.462 1.00 0.00 H new ATOM 0 HE2 PHE A 12 32.478 -58.253 8.552 1.00 0.00 H new ATOM 0 HZ PHE A 12 30.746 -58.147 6.846 1.00 0.00 H new ATOM 197 N PRO A 13 27.257 -59.023 14.370 1.00 0.00 N ATOM 198 CA PRO A 13 27.091 -59.565 15.723 1.00 0.00 C ATOM 199 C PRO A 13 28.296 -60.397 16.174 1.00 0.00 C ATOM 200 O PRO A 13 29.020 -60.977 15.364 1.00 0.00 O ATOM 201 CB PRO A 13 25.836 -60.430 15.568 1.00 0.00 C ATOM 202 CG PRO A 13 25.085 -59.833 14.378 1.00 0.00 C ATOM 203 CD PRO A 13 26.182 -59.347 13.434 1.00 0.00 C ATOM 0 HA PRO A 13 27.007 -58.792 16.487 1.00 0.00 H new ATOM 0 HB2 PRO A 13 26.096 -61.473 15.387 1.00 0.00 H new ATOM 0 HB3 PRO A 13 25.226 -60.406 16.471 1.00 0.00 H new ATOM 0 HG2 PRO A 13 24.449 -60.576 13.897 1.00 0.00 H new ATOM 0 HG3 PRO A 13 24.438 -59.013 14.689 1.00 0.00 H new ATOM 0 HD2 PRO A 13 26.478 -60.116 12.721 1.00 0.00 H new ATOM 0 HD3 PRO A 13 25.868 -58.479 12.855 1.00 0.00 H new ATOM 211 N LYS A 14 28.514 -60.458 17.481 1.00 0.00 N ATOM 212 CA LYS A 14 29.681 -61.187 18.010 1.00 0.00 C ATOM 213 C LYS A 14 29.736 -62.679 17.629 1.00 0.00 C ATOM 214 O LYS A 14 30.801 -63.294 17.639 1.00 0.00 O ATOM 215 CB LYS A 14 29.732 -60.995 19.535 1.00 0.00 C ATOM 216 CG LYS A 14 28.805 -61.913 20.350 1.00 0.00 C ATOM 217 CD LYS A 14 27.310 -61.688 20.100 1.00 0.00 C ATOM 218 CE LYS A 14 26.493 -62.712 20.891 1.00 0.00 C ATOM 219 NZ LYS A 14 25.072 -62.653 20.506 1.00 0.00 N ATOM 0 H LYS A 14 27.919 -60.026 18.188 1.00 0.00 H new ATOM 0 HA LYS A 14 30.566 -60.760 17.538 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.757 -61.154 19.869 1.00 0.00 H new ATOM 0 HB3 LYS A 14 29.480 -59.959 19.762 1.00 0.00 H new ATOM 0 HG2 LYS A 14 29.047 -62.950 20.119 1.00 0.00 H new ATOM 0 HG3 LYS A 14 29.010 -61.766 21.411 1.00 0.00 H new ATOM 0 HD2 LYS A 14 27.030 -60.677 20.398 1.00 0.00 H new ATOM 0 HD3 LYS A 14 27.092 -61.779 19.036 1.00 0.00 H new ATOM 0 HE2 LYS A 14 26.883 -63.714 20.710 1.00 0.00 H new ATOM 0 HE3 LYS A 14 26.594 -62.519 21.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 24.482 -62.941 21.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 24.828 -61.681 20.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 24.902 -63.295 19.706 1.00 0.00 H new ATOM 233 N GLU A 15 28.587 -63.265 17.319 1.00 0.00 N ATOM 234 CA GLU A 15 28.516 -64.709 17.058 1.00 0.00 C ATOM 235 C GLU A 15 28.746 -65.100 15.590 1.00 0.00 C ATOM 236 O GLU A 15 29.102 -66.242 15.298 1.00 0.00 O ATOM 237 CB GLU A 15 27.133 -65.179 17.529 1.00 0.00 C ATOM 238 CG GLU A 15 25.983 -64.515 16.759 1.00 0.00 C ATOM 239 CD GLU A 15 24.624 -64.823 17.361 1.00 0.00 C ATOM 240 OE1 GLU A 15 24.293 -64.245 18.420 1.00 0.00 O ATOM 241 OE2 GLU A 15 23.873 -65.627 16.769 1.00 0.00 O ATOM 0 H GLU A 15 27.696 -62.774 17.241 1.00 0.00 H new ATOM 0 HA GLU A 15 29.326 -65.196 17.601 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.064 -66.261 17.414 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.024 -64.964 18.592 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.135 -63.436 16.746 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.002 -64.852 15.723 1.00 0.00 H new ATOM 248 N LYS A 16 28.511 -64.188 14.653 1.00 0.00 N ATOM 249 CA LYS A 16 28.570 -64.564 13.232 1.00 0.00 C ATOM 250 C LYS A 16 30.015 -64.627 12.725 1.00 0.00 C ATOM 251 O LYS A 16 30.929 -64.003 13.266 1.00 0.00 O ATOM 252 CB LYS A 16 27.740 -63.587 12.385 1.00 0.00 C ATOM 253 CG LYS A 16 26.282 -63.455 12.844 1.00 0.00 C ATOM 254 CD LYS A 16 25.564 -64.802 12.976 1.00 0.00 C ATOM 255 CE LYS A 16 24.139 -64.601 13.492 1.00 0.00 C ATOM 256 NZ LYS A 16 23.532 -65.898 13.839 1.00 0.00 N ATOM 0 H LYS A 16 28.284 -63.210 14.835 1.00 0.00 H new ATOM 0 HA LYS A 16 28.144 -65.563 13.133 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.211 -62.604 12.414 1.00 0.00 H new ATOM 0 HB3 LYS A 16 27.756 -63.917 11.346 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.256 -62.942 13.805 1.00 0.00 H new ATOM 0 HG3 LYS A 16 25.740 -62.830 12.134 1.00 0.00 H new ATOM 0 HD2 LYS A 16 25.539 -65.304 12.009 1.00 0.00 H new ATOM 0 HD3 LYS A 16 26.116 -65.450 13.657 1.00 0.00 H new ATOM 0 HE2 LYS A 16 24.150 -63.952 14.367 1.00 0.00 H new ATOM 0 HE3 LYS A 16 23.537 -64.102 12.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 22.547 -65.920 13.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 24.068 -66.665 13.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 23.553 -66.026 14.871 1.00 0.00 H new ATOM 270 N ILE A 17 30.218 -65.409 11.671 1.00 0.00 N ATOM 271 CA ILE A 17 31.581 -65.670 11.189 1.00 0.00 C ATOM 272 C ILE A 17 32.169 -64.467 10.451 1.00 0.00 C ATOM 273 O ILE A 17 31.582 -63.919 9.518 1.00 0.00 O ATOM 274 CB ILE A 17 31.559 -66.877 10.228 1.00 0.00 C ATOM 275 CG1 ILE A 17 31.130 -68.145 10.980 1.00 0.00 C ATOM 276 CG2 ILE A 17 32.926 -67.087 9.549 1.00 0.00 C ATOM 277 CD1 ILE A 17 30.922 -69.336 10.043 1.00 0.00 C ATOM 0 H ILE A 17 29.478 -65.867 11.139 1.00 0.00 H new ATOM 0 HA ILE A 17 32.205 -65.874 12.059 1.00 0.00 H new ATOM 0 HB ILE A 17 30.832 -66.667 9.443 1.00 0.00 H new ATOM 0 HG12 ILE A 17 31.887 -68.398 11.722 1.00 0.00 H new ATOM 0 HG13 ILE A 17 30.206 -67.947 11.523 1.00 0.00 H new ATOM 0 HG21 ILE A 17 32.872 -67.946 8.880 1.00 0.00 H new ATOM 0 HG22 ILE A 17 33.189 -66.197 8.977 1.00 0.00 H new ATOM 0 HG23 ILE A 17 33.686 -67.267 10.309 1.00 0.00 H new ATOM 0 HD11 ILE A 17 30.620 -70.207 10.624 1.00 0.00 H new ATOM 0 HD12 ILE A 17 30.145 -69.096 9.317 1.00 0.00 H new ATOM 0 HD13 ILE A 17 31.853 -69.554 9.520 1.00 0.00 H new ATOM 289 N CYS A 18 33.383 -64.111 10.846 1.00 0.00 N ATOM 290 CA CYS A 18 34.175 -63.179 10.040 1.00 0.00 C ATOM 291 C CYS A 18 35.295 -64.022 9.429 1.00 0.00 C ATOM 292 O CYS A 18 35.850 -64.908 10.080 1.00 0.00 O ATOM 293 CB CYS A 18 34.748 -62.051 10.897 1.00 0.00 C ATOM 294 SG CYS A 18 35.682 -60.938 9.829 1.00 0.00 S ATOM 0 H CYS A 18 33.837 -64.441 11.698 1.00 0.00 H new ATOM 0 HA CYS A 18 33.566 -62.696 9.276 1.00 0.00 H new ATOM 0 HB2 CYS A 18 33.945 -61.510 11.397 1.00 0.00 H new ATOM 0 HB3 CYS A 18 35.393 -62.458 11.676 1.00 0.00 H new ATOM 299 N LEU A 19 35.618 -63.787 8.166 1.00 0.00 N ATOM 300 CA LEU A 19 36.647 -64.610 7.518 1.00 0.00 C ATOM 301 C LEU A 19 37.601 -63.652 6.789 1.00 0.00 C ATOM 302 O LEU A 19 37.197 -62.997 5.827 1.00 0.00 O ATOM 303 CB LEU A 19 35.930 -65.605 6.593 1.00 0.00 C ATOM 304 CG LEU A 19 36.777 -66.784 6.088 1.00 0.00 C ATOM 305 CD1 LEU A 19 37.995 -66.345 5.275 1.00 0.00 C ATOM 306 CD2 LEU A 19 37.211 -67.682 7.248 1.00 0.00 C ATOM 0 H LEU A 19 35.204 -63.062 7.580 1.00 0.00 H new ATOM 0 HA LEU A 19 37.246 -65.198 8.214 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.065 -66.005 7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.551 -65.059 5.729 1.00 0.00 H new ATOM 0 HG LEU A 19 36.135 -67.351 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 19 38.550 -67.224 4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 19 37.666 -65.779 4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 19 38.638 -65.718 5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 19 37.809 -68.509 6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 19 37.805 -67.102 7.955 1.00 0.00 H new ATOM 0 HD23 LEU A 19 36.329 -68.076 7.753 1.00 0.00 H new ATOM 318 N PRO A 20 38.854 -63.501 7.230 1.00 0.00 N ATOM 319 CA PRO A 20 39.447 -64.325 8.293 1.00 0.00 C ATOM 320 C PRO A 20 38.894 -63.991 9.691 1.00 0.00 C ATOM 321 O PRO A 20 38.338 -62.914 9.909 1.00 0.00 O ATOM 322 CB PRO A 20 40.929 -63.962 8.160 1.00 0.00 C ATOM 323 CG PRO A 20 40.932 -62.542 7.593 1.00 0.00 C ATOM 324 CD PRO A 20 39.769 -62.547 6.606 1.00 0.00 C ATOM 0 HA PRO A 20 39.232 -65.389 8.191 1.00 0.00 H new ATOM 0 HB2 PRO A 20 41.435 -64.004 9.124 1.00 0.00 H new ATOM 0 HB3 PRO A 20 41.448 -64.654 7.497 1.00 0.00 H new ATOM 0 HG2 PRO A 20 40.790 -61.797 8.376 1.00 0.00 H new ATOM 0 HG3 PRO A 20 41.876 -62.309 7.099 1.00 0.00 H new ATOM 0 HD2 PRO A 20 39.320 -61.560 6.498 1.00 0.00 H new ATOM 0 HD3 PRO A 20 40.078 -62.867 5.611 1.00 0.00 H new ATOM 332 N PRO A 21 39.015 -64.904 10.659 1.00 0.00 N ATOM 333 CA PRO A 21 38.309 -64.759 11.938 1.00 0.00 C ATOM 334 C PRO A 21 39.044 -63.918 12.990 1.00 0.00 C ATOM 335 O PRO A 21 38.408 -63.188 13.752 1.00 0.00 O ATOM 336 CB PRO A 21 38.175 -66.220 12.380 1.00 0.00 C ATOM 337 CG PRO A 21 39.379 -66.931 11.762 1.00 0.00 C ATOM 338 CD PRO A 21 39.574 -66.236 10.417 1.00 0.00 C ATOM 0 HA PRO A 21 37.370 -64.216 11.827 1.00 0.00 H new ATOM 0 HB2 PRO A 21 38.181 -66.306 13.467 1.00 0.00 H new ATOM 0 HB3 PRO A 21 37.238 -66.654 12.031 1.00 0.00 H new ATOM 0 HG2 PRO A 21 40.264 -66.836 12.391 1.00 0.00 H new ATOM 0 HG3 PRO A 21 39.190 -67.997 11.636 1.00 0.00 H new ATOM 0 HD2 PRO A 21 40.626 -66.189 10.134 1.00 0.00 H new ATOM 0 HD3 PRO A 21 39.051 -66.755 9.614 1.00 0.00 H new ATOM 346 N SER A 22 40.365 -64.030 13.082 1.00 0.00 N ATOM 347 CA SER A 22 41.084 -63.364 14.179 1.00 0.00 C ATOM 348 C SER A 22 41.595 -61.977 13.768 1.00 0.00 C ATOM 349 O SER A 22 42.795 -61.699 13.766 1.00 0.00 O ATOM 350 CB SER A 22 42.229 -64.284 14.612 1.00 0.00 C ATOM 351 OG SER A 22 42.876 -63.754 15.761 1.00 0.00 O ATOM 0 H SER A 22 40.951 -64.557 12.435 1.00 0.00 H new ATOM 0 HA SER A 22 40.406 -63.193 15.015 1.00 0.00 H new ATOM 0 HB2 SER A 22 41.843 -65.280 14.830 1.00 0.00 H new ATOM 0 HB3 SER A 22 42.947 -64.391 13.799 1.00 0.00 H new ATOM 0 HG SER A 22 43.261 -62.879 15.545 1.00 0.00 H new ATOM 357 N SER A 23 40.672 -61.081 13.439 1.00 0.00 N ATOM 358 CA SER A 23 41.062 -59.716 13.074 1.00 0.00 C ATOM 359 C SER A 23 39.825 -58.822 13.177 1.00 0.00 C ATOM 360 O SER A 23 38.986 -58.794 12.275 1.00 0.00 O ATOM 361 CB SER A 23 41.640 -59.702 11.653 1.00 0.00 C ATOM 362 OG SER A 23 40.678 -60.161 10.712 1.00 0.00 O ATOM 0 H SER A 23 39.669 -61.264 13.416 1.00 0.00 H new ATOM 0 HA SER A 23 41.833 -59.343 13.748 1.00 0.00 H new ATOM 0 HB2 SER A 23 41.955 -58.691 11.394 1.00 0.00 H new ATOM 0 HB3 SER A 23 42.527 -60.334 11.610 1.00 0.00 H new ATOM 0 HG SER A 23 39.788 -59.843 10.972 1.00 0.00 H new ATOM 368 N ASP A 24 39.681 -58.106 14.288 1.00 0.00 N ATOM 369 CA ASP A 24 38.414 -57.400 14.528 1.00 0.00 C ATOM 370 C ASP A 24 38.581 -56.121 15.360 1.00 0.00 C ATOM 371 O ASP A 24 39.350 -56.045 16.319 1.00 0.00 O ATOM 372 CB ASP A 24 37.404 -58.362 15.176 1.00 0.00 C ATOM 373 CG ASP A 24 37.823 -58.922 16.534 1.00 0.00 C ATOM 374 OD1 ASP A 24 38.923 -59.504 16.641 1.00 0.00 O ATOM 375 OD2 ASP A 24 37.035 -58.805 17.497 1.00 0.00 O ATOM 0 H ASP A 24 40.390 -57.997 15.013 1.00 0.00 H new ATOM 0 HA ASP A 24 38.034 -57.071 13.561 1.00 0.00 H new ATOM 0 HB2 ASP A 24 36.453 -57.842 15.292 1.00 0.00 H new ATOM 0 HB3 ASP A 24 37.230 -59.195 14.495 1.00 0.00 H new ATOM 380 N PHE A 25 37.805 -55.112 14.979 1.00 0.00 N ATOM 381 CA PHE A 25 37.664 -53.904 15.804 1.00 0.00 C ATOM 382 C PHE A 25 36.422 -54.074 16.693 1.00 0.00 C ATOM 383 O PHE A 25 35.528 -54.872 16.406 1.00 0.00 O ATOM 384 CB PHE A 25 37.446 -52.678 14.906 1.00 0.00 C ATOM 385 CG PHE A 25 38.609 -52.313 13.998 1.00 0.00 C ATOM 386 CD1 PHE A 25 39.792 -51.915 14.526 1.00 0.00 C ATOM 387 CD2 PHE A 25 38.432 -52.288 12.654 1.00 0.00 C ATOM 388 CE1 PHE A 25 40.796 -51.508 13.715 1.00 0.00 C ATOM 389 CE2 PHE A 25 39.434 -51.873 11.843 1.00 0.00 C ATOM 390 CZ PHE A 25 40.616 -51.484 12.374 1.00 0.00 C ATOM 0 H PHE A 25 37.266 -55.100 14.113 1.00 0.00 H new ATOM 0 HA PHE A 25 38.564 -53.763 16.402 1.00 0.00 H new ATOM 0 HB2 PHE A 25 36.567 -52.856 14.287 1.00 0.00 H new ATOM 0 HB3 PHE A 25 37.221 -51.821 15.541 1.00 0.00 H new ATOM 0 HD1 PHE A 25 39.934 -51.923 15.597 1.00 0.00 H new ATOM 0 HD2 PHE A 25 37.489 -52.600 12.229 1.00 0.00 H new ATOM 0 HE1 PHE A 25 41.741 -51.202 14.138 1.00 0.00 H new ATOM 0 HE2 PHE A 25 39.290 -51.853 10.773 1.00 0.00 H new ATOM 0 HZ PHE A 25 41.416 -51.154 11.728 1.00 0.00 H new ATOM 400 N GLY A 26 36.342 -53.312 17.777 1.00 0.00 N ATOM 401 CA GLY A 26 35.229 -53.497 18.719 1.00 0.00 C ATOM 402 C GLY A 26 34.015 -52.642 18.360 1.00 0.00 C ATOM 403 O GLY A 26 33.485 -52.711 17.250 1.00 0.00 O ATOM 0 H GLY A 26 37.008 -52.581 18.027 1.00 0.00 H new ATOM 0 HA2 GLY A 26 34.939 -54.548 18.733 1.00 0.00 H new ATOM 0 HA3 GLY A 26 35.563 -53.245 19.726 1.00 0.00 H new ATOM 407 N LYS A 27 33.560 -51.838 19.313 1.00 0.00 N ATOM 408 CA LYS A 27 32.388 -50.988 19.062 1.00 0.00 C ATOM 409 C LYS A 27 32.815 -49.681 18.379 1.00 0.00 C ATOM 410 O LYS A 27 32.900 -48.613 18.984 1.00 0.00 O ATOM 411 CB LYS A 27 31.599 -50.782 20.365 1.00 0.00 C ATOM 412 CG LYS A 27 32.393 -50.157 21.521 1.00 0.00 C ATOM 413 CD LYS A 27 31.535 -50.138 22.791 1.00 0.00 C ATOM 414 CE LYS A 27 32.278 -49.554 23.995 1.00 0.00 C ATOM 415 NZ LYS A 27 33.372 -50.446 24.421 1.00 0.00 N ATOM 0 H LYS A 27 33.967 -51.752 20.244 1.00 0.00 H new ATOM 0 HA LYS A 27 31.707 -51.480 18.368 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.738 -50.148 20.153 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.211 -51.747 20.692 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.306 -50.726 21.697 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.695 -49.143 21.260 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.633 -49.554 22.607 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.215 -51.154 23.024 1.00 0.00 H new ATOM 0 HE2 LYS A 27 32.681 -48.574 23.738 1.00 0.00 H new ATOM 0 HE3 LYS A 27 31.582 -49.406 24.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.785 -50.091 25.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 32.999 -51.405 24.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.105 -50.473 23.684 1.00 0.00 H new ATOM 429 N MET A 28 33.080 -49.787 17.082 1.00 0.00 N ATOM 430 CA MET A 28 33.525 -48.625 16.302 1.00 0.00 C ATOM 431 C MET A 28 32.368 -47.650 16.051 1.00 0.00 C ATOM 432 O MET A 28 32.391 -46.506 16.504 1.00 0.00 O ATOM 433 CB MET A 28 34.066 -49.153 14.966 1.00 0.00 C ATOM 434 CG MET A 28 35.405 -49.879 15.094 1.00 0.00 C ATOM 435 SD MET A 28 35.899 -50.535 13.490 1.00 0.00 S ATOM 436 CE MET A 28 36.334 -49.013 12.640 1.00 0.00 C ATOM 0 H MET A 28 32.998 -50.652 16.548 1.00 0.00 H new ATOM 0 HA MET A 28 34.294 -48.080 16.850 1.00 0.00 H new ATOM 0 HB2 MET A 28 33.334 -49.832 14.530 1.00 0.00 H new ATOM 0 HB3 MET A 28 34.179 -48.319 14.274 1.00 0.00 H new ATOM 0 HG2 MET A 28 36.166 -49.194 15.467 1.00 0.00 H new ATOM 0 HG3 MET A 28 35.322 -50.689 15.819 1.00 0.00 H new ATOM 0 HE1 MET A 28 36.763 -49.250 11.666 1.00 0.00 H new ATOM 0 HE2 MET A 28 35.440 -48.404 12.504 1.00 0.00 H new ATOM 0 HE3 MET A 28 37.063 -48.461 13.233 1.00 0.00 H new ATOM 446 N ASP A 29 31.360 -48.101 15.313 1.00 0.00 N ATOM 447 CA ASP A 29 30.209 -47.239 15.010 1.00 0.00 C ATOM 448 C ASP A 29 28.912 -48.058 15.132 1.00 0.00 C ATOM 449 O ASP A 29 28.028 -47.999 14.278 1.00 0.00 O ATOM 450 CB ASP A 29 30.429 -46.691 13.595 1.00 0.00 C ATOM 451 CG ASP A 29 29.401 -45.648 13.188 1.00 0.00 C ATOM 452 OD1 ASP A 29 29.462 -44.510 13.699 1.00 0.00 O ATOM 453 OD2 ASP A 29 28.539 -45.953 12.336 1.00 0.00 O ATOM 0 H ASP A 29 31.309 -49.040 14.917 1.00 0.00 H new ATOM 0 HA ASP A 29 30.117 -46.406 15.707 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.425 -46.253 13.533 1.00 0.00 H new ATOM 0 HB3 ASP A 29 30.400 -47.517 12.884 1.00 0.00 H new ATOM 458 N CYS A 30 28.803 -48.854 16.192 1.00 0.00 N ATOM 459 CA CYS A 30 27.692 -49.809 16.288 1.00 0.00 C ATOM 460 C CYS A 30 27.367 -50.120 17.756 1.00 0.00 C ATOM 461 O CYS A 30 27.921 -49.530 18.685 1.00 0.00 O ATOM 462 CB CYS A 30 28.091 -51.062 15.499 1.00 0.00 C ATOM 463 SG CYS A 30 28.186 -50.657 13.745 1.00 0.00 S ATOM 0 H CYS A 30 29.450 -48.862 16.981 1.00 0.00 H new ATOM 0 HA CYS A 30 26.780 -49.391 15.862 1.00 0.00 H new ATOM 0 HB2 CYS A 30 29.053 -51.436 15.850 1.00 0.00 H new ATOM 0 HB3 CYS A 30 27.362 -51.856 15.662 1.00 0.00 H new ATOM 468 N ARG A 31 26.418 -51.026 17.968 1.00 0.00 N ATOM 469 CA ARG A 31 25.893 -51.243 19.324 1.00 0.00 C ATOM 470 C ARG A 31 26.812 -52.126 20.183 1.00 0.00 C ATOM 471 O ARG A 31 27.897 -52.539 19.773 1.00 0.00 O ATOM 472 CB ARG A 31 24.468 -51.807 19.204 1.00 0.00 C ATOM 473 CG ARG A 31 24.433 -53.273 18.758 1.00 0.00 C ATOM 474 CD ARG A 31 23.027 -53.722 18.348 1.00 0.00 C ATOM 475 NE ARG A 31 22.071 -53.605 19.457 1.00 0.00 N ATOM 476 CZ ARG A 31 20.783 -53.874 19.276 1.00 0.00 C ATOM 477 NH1 ARG A 31 20.323 -54.269 18.103 1.00 0.00 N ATOM 478 NH2 ARG A 31 19.946 -53.741 20.284 1.00 0.00 N ATOM 0 H ARG A 31 26.001 -51.611 17.244 1.00 0.00 H new ATOM 0 HA ARG A 31 25.859 -50.291 19.854 1.00 0.00 H new ATOM 0 HB2 ARG A 31 23.966 -51.715 20.167 1.00 0.00 H new ATOM 0 HB3 ARG A 31 23.905 -51.204 18.492 1.00 0.00 H new ATOM 0 HG2 ARG A 31 25.115 -53.412 17.919 1.00 0.00 H new ATOM 0 HG3 ARG A 31 24.792 -53.906 19.569 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.684 -53.119 17.507 1.00 0.00 H new ATOM 0 HD3 ARG A 31 23.061 -54.756 18.005 1.00 0.00 H new ATOM 0 HE ARG A 31 22.400 -53.314 20.377 1.00 0.00 H new ATOM 0 HH11 ARG A 31 20.961 -54.373 17.314 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.330 -54.470 17.986 1.00 0.00 H new ATOM 0 HH21 ARG A 31 20.289 -53.434 21.194 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.955 -53.945 20.154 1.00 0.00 H new ATOM 492 N TRP A 32 26.367 -52.398 21.405 1.00 0.00 N ATOM 493 CA TRP A 32 27.210 -53.102 22.382 1.00 0.00 C ATOM 494 C TRP A 32 27.633 -54.508 21.936 1.00 0.00 C ATOM 495 O TRP A 32 28.821 -54.826 21.895 1.00 0.00 O ATOM 496 CB TRP A 32 26.405 -53.142 23.688 1.00 0.00 C ATOM 497 CG TRP A 32 27.089 -53.902 24.808 1.00 0.00 C ATOM 498 CD1 TRP A 32 26.612 -55.073 25.406 1.00 0.00 C ATOM 499 CD2 TRP A 32 28.268 -53.607 25.448 1.00 0.00 C ATOM 500 NE1 TRP A 32 27.489 -55.514 26.406 1.00 0.00 N ATOM 501 CE2 TRP A 32 28.504 -54.570 26.393 1.00 0.00 C ATOM 502 CE3 TRP A 32 29.122 -52.576 25.260 1.00 0.00 C ATOM 503 CZ2 TRP A 32 29.613 -54.519 27.167 1.00 0.00 C ATOM 504 CZ3 TRP A 32 30.235 -52.526 26.041 1.00 0.00 C ATOM 505 CH2 TRP A 32 30.478 -53.485 26.981 1.00 0.00 C ATOM 0 H TRP A 32 25.439 -52.148 21.746 1.00 0.00 H new ATOM 0 HA TRP A 32 28.154 -52.570 22.502 1.00 0.00 H new ATOM 0 HB2 TRP A 32 26.215 -52.121 24.018 1.00 0.00 H new ATOM 0 HB3 TRP A 32 25.435 -53.599 23.492 1.00 0.00 H new ATOM 0 HD1 TRP A 32 25.693 -55.570 25.134 1.00 0.00 H new ATOM 0 HE1 TRP A 32 27.401 -56.336 27.003 1.00 0.00 H new ATOM 0 HE3 TRP A 32 28.927 -51.818 24.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 29.806 -55.277 27.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 30.937 -51.715 25.915 1.00 0.00 H new ATOM 0 HH2 TRP A 32 31.370 -53.422 27.586 1.00 0.00 H new ATOM 516 N ARG A 33 26.669 -55.366 21.633 1.00 0.00 N ATOM 517 CA ARG A 33 27.006 -56.761 21.304 1.00 0.00 C ATOM 518 C ARG A 33 27.566 -56.953 19.887 1.00 0.00 C ATOM 519 O ARG A 33 27.937 -58.069 19.520 1.00 0.00 O ATOM 520 CB ARG A 33 25.756 -57.636 21.468 1.00 0.00 C ATOM 521 CG ARG A 33 25.304 -57.805 22.923 1.00 0.00 C ATOM 522 CD ARG A 33 26.337 -58.558 23.763 1.00 0.00 C ATOM 523 NE ARG A 33 25.780 -58.837 25.091 1.00 0.00 N ATOM 524 CZ ARG A 33 26.507 -59.443 26.021 1.00 0.00 C ATOM 525 NH1 ARG A 33 27.755 -59.807 25.789 1.00 0.00 N ATOM 526 NH2 ARG A 33 25.972 -59.686 27.199 1.00 0.00 N ATOM 0 H ARG A 33 25.675 -55.140 21.605 1.00 0.00 H new ATOM 0 HA ARG A 33 27.797 -57.055 21.994 1.00 0.00 H new ATOM 0 HB2 ARG A 33 24.940 -57.199 20.893 1.00 0.00 H new ATOM 0 HB3 ARG A 33 25.954 -58.620 21.043 1.00 0.00 H new ATOM 0 HG2 ARG A 33 25.125 -56.824 23.363 1.00 0.00 H new ATOM 0 HG3 ARG A 33 24.356 -58.343 22.948 1.00 0.00 H new ATOM 0 HD2 ARG A 33 26.613 -59.490 23.270 1.00 0.00 H new ATOM 0 HD3 ARG A 33 27.247 -57.965 23.856 1.00 0.00 H new ATOM 0 HE ARG A 33 24.821 -58.561 25.302 1.00 0.00 H new ATOM 0 HH11 ARG A 33 28.179 -59.624 24.880 1.00 0.00 H new ATOM 0 HH12 ARG A 33 28.295 -60.272 26.519 1.00 0.00 H new ATOM 0 HH21 ARG A 33 25.009 -59.409 27.389 1.00 0.00 H new ATOM 0 HH22 ARG A 33 26.521 -60.151 27.922 1.00 0.00 H new ATOM 540 N TRP A 34 27.616 -55.908 19.068 1.00 0.00 N ATOM 541 CA TRP A 34 28.100 -56.076 17.691 1.00 0.00 C ATOM 542 C TRP A 34 29.477 -55.420 17.554 1.00 0.00 C ATOM 543 O TRP A 34 29.828 -54.489 18.280 1.00 0.00 O ATOM 544 CB TRP A 34 27.105 -55.447 16.706 1.00 0.00 C ATOM 545 CG TRP A 34 25.746 -56.129 16.628 1.00 0.00 C ATOM 546 CD1 TRP A 34 25.213 -57.144 17.439 1.00 0.00 C ATOM 547 CD2 TRP A 34 24.770 -55.845 15.706 1.00 0.00 C ATOM 548 NE1 TRP A 34 23.920 -57.490 17.021 1.00 0.00 N ATOM 549 CE2 TRP A 34 23.690 -56.651 15.943 1.00 0.00 C ATOM 550 CE3 TRP A 34 24.773 -54.945 14.696 1.00 0.00 C ATOM 551 CZ2 TRP A 34 22.584 -56.568 15.167 1.00 0.00 C ATOM 552 CZ3 TRP A 34 23.659 -54.858 13.923 1.00 0.00 C ATOM 553 CH2 TRP A 34 22.579 -55.659 14.155 1.00 0.00 C ATOM 0 H TRP A 34 27.337 -54.959 19.318 1.00 0.00 H new ATOM 0 HA TRP A 34 28.188 -57.138 17.461 1.00 0.00 H new ATOM 0 HB2 TRP A 34 26.954 -54.404 16.984 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.552 -55.450 15.712 1.00 0.00 H new ATOM 0 HD1 TRP A 34 25.729 -57.597 18.272 1.00 0.00 H new ATOM 0 HE1 TRP A 34 23.296 -58.193 17.417 1.00 0.00 H new ATOM 0 HE3 TRP A 34 25.632 -54.317 14.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 21.730 -57.205 15.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 23.628 -54.144 13.113 1.00 0.00 H new ATOM 0 HH2 TRP A 34 21.706 -55.570 13.525 1.00 0.00 H new ATOM 564 N LYS A 35 30.276 -55.922 16.621 1.00 0.00 N ATOM 565 CA LYS A 35 31.642 -55.402 16.468 1.00 0.00 C ATOM 566 C LYS A 35 32.015 -55.290 14.984 1.00 0.00 C ATOM 567 O LYS A 35 31.492 -56.013 14.136 1.00 0.00 O ATOM 568 CB LYS A 35 32.621 -56.302 17.235 1.00 0.00 C ATOM 569 CG LYS A 35 32.687 -57.742 16.709 1.00 0.00 C ATOM 570 CD LYS A 35 33.757 -58.537 17.461 1.00 0.00 C ATOM 571 CE LYS A 35 33.980 -59.908 16.823 1.00 0.00 C ATOM 572 NZ LYS A 35 35.020 -60.638 17.571 1.00 0.00 N ATOM 0 H LYS A 35 30.019 -56.667 15.973 1.00 0.00 H new ATOM 0 HA LYS A 35 31.698 -54.398 16.889 1.00 0.00 H new ATOM 0 HB2 LYS A 35 33.617 -55.862 17.186 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.333 -56.323 18.286 1.00 0.00 H new ATOM 0 HG2 LYS A 35 31.717 -58.224 16.828 1.00 0.00 H new ATOM 0 HG3 LYS A 35 32.912 -57.736 15.642 1.00 0.00 H new ATOM 0 HD2 LYS A 35 34.693 -57.978 17.464 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.456 -58.662 18.501 1.00 0.00 H new ATOM 0 HE2 LYS A 35 33.050 -60.477 16.824 1.00 0.00 H new ATOM 0 HE3 LYS A 35 34.281 -59.791 15.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 35.316 -61.474 17.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 35.840 -60.016 17.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.639 -60.940 18.491 1.00 0.00 H new ATOM 586 N CYS A 36 32.930 -54.381 14.659 1.00 0.00 N ATOM 587 CA CYS A 36 33.346 -54.229 13.257 1.00 0.00 C ATOM 588 C CYS A 36 34.548 -55.125 12.962 1.00 0.00 C ATOM 589 O CYS A 36 35.589 -55.027 13.608 1.00 0.00 O ATOM 590 CB CYS A 36 33.715 -52.767 12.995 1.00 0.00 C ATOM 591 SG CYS A 36 32.229 -51.769 12.800 1.00 0.00 S ATOM 0 H CYS A 36 33.389 -53.754 15.320 1.00 0.00 H new ATOM 0 HA CYS A 36 32.523 -54.522 12.606 1.00 0.00 H new ATOM 0 HB2 CYS A 36 34.313 -52.383 13.821 1.00 0.00 H new ATOM 0 HB3 CYS A 36 34.329 -52.696 12.097 1.00 0.00 H new ATOM 596 N CYS A 37 34.438 -55.990 11.962 1.00 0.00 N ATOM 597 CA CYS A 37 35.575 -56.860 11.636 1.00 0.00 C ATOM 598 C CYS A 37 36.619 -56.088 10.821 1.00 0.00 C ATOM 599 O CYS A 37 36.324 -55.075 10.183 1.00 0.00 O ATOM 600 CB CYS A 37 35.065 -58.092 10.892 1.00 0.00 C ATOM 601 SG CYS A 37 36.336 -59.367 10.878 1.00 0.00 S ATOM 0 H CYS A 37 33.610 -56.112 11.379 1.00 0.00 H new ATOM 0 HA CYS A 37 36.066 -57.192 12.551 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.163 -58.471 11.373 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.794 -57.825 9.871 1.00 0.00 H new ATOM 606 N LYS A 38 37.861 -56.552 10.882 1.00 0.00 N ATOM 607 CA LYS A 38 38.979 -55.774 10.332 1.00 0.00 C ATOM 608 C LYS A 38 39.612 -56.495 9.145 1.00 0.00 C ATOM 609 O LYS A 38 40.005 -57.660 9.234 1.00 0.00 O ATOM 610 CB LYS A 38 40.012 -55.582 11.452 1.00 0.00 C ATOM 611 CG LYS A 38 41.262 -54.818 10.996 1.00 0.00 C ATOM 612 CD LYS A 38 42.180 -54.459 12.170 1.00 0.00 C ATOM 613 CE LYS A 38 42.823 -55.669 12.852 1.00 0.00 C ATOM 614 NZ LYS A 38 43.747 -56.355 11.932 1.00 0.00 N ATOM 0 H LYS A 38 38.123 -57.446 11.297 1.00 0.00 H new ATOM 0 HA LYS A 38 38.620 -54.809 9.973 1.00 0.00 H new ATOM 0 HB2 LYS A 38 39.547 -55.045 12.278 1.00 0.00 H new ATOM 0 HB3 LYS A 38 40.310 -56.558 11.834 1.00 0.00 H new ATOM 0 HG2 LYS A 38 41.814 -55.423 10.277 1.00 0.00 H new ATOM 0 HG3 LYS A 38 40.961 -53.906 10.480 1.00 0.00 H new ATOM 0 HD2 LYS A 38 42.968 -53.796 11.812 1.00 0.00 H new ATOM 0 HD3 LYS A 38 41.605 -53.901 12.909 1.00 0.00 H new ATOM 0 HE2 LYS A 38 43.362 -55.347 13.743 1.00 0.00 H new ATOM 0 HE3 LYS A 38 42.048 -56.362 13.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 44.297 -57.064 12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 43.203 -56.826 11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 44.394 -55.660 11.507 1.00 0.00 H new