USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=9 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.87! C(o=-1.9!,f=-2.6!) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 169:sc=-0.00833 (180deg=-0.145) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= 0.345 K(o=0.34,f=-1.4) USER MOD Single : A 14 LYS NZ :NH3+ 169:sc=-0.00835 (180deg=-0.168) USER MOD Single : A 16 LYS NZ :NH3+ -140:sc= 0.805 (180deg=0.0852) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -4:sc= 1.17 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -166:sc= -0.859 (180deg=-1.24) USER MOD Single : A 35 LYS NZ :NH3+ 156:sc= 1.23 (180deg=0.975) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= -0.0241 (180deg=-0.177) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 2 30.081 -44.803 10.318 1.00 0.00 N ATOM 25 CA LYS A 2 30.974 -43.637 10.235 1.00 0.00 C ATOM 26 C LYS A 2 32.438 -44.001 10.519 1.00 0.00 C ATOM 27 O LYS A 2 33.307 -43.800 9.670 1.00 0.00 O ATOM 28 CB LYS A 2 30.481 -42.532 11.181 1.00 0.00 C ATOM 29 CG LYS A 2 29.090 -42.018 10.794 1.00 0.00 C ATOM 30 CD LYS A 2 28.658 -40.873 11.711 1.00 0.00 C ATOM 31 CE LYS A 2 27.306 -40.308 11.273 1.00 0.00 C ATOM 32 NZ LYS A 2 26.936 -39.175 12.139 1.00 0.00 N ATOM 0 HA LYS A 2 30.943 -43.266 9.210 1.00 0.00 H new ATOM 0 HB2 LYS A 2 30.454 -42.914 12.201 1.00 0.00 H new ATOM 0 HB3 LYS A 2 31.189 -41.703 11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 2 29.099 -41.677 9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 2 28.367 -42.831 10.856 1.00 0.00 H new ATOM 0 HD2 LYS A 2 28.593 -41.229 12.739 1.00 0.00 H new ATOM 0 HD3 LYS A 2 29.410 -40.084 11.694 1.00 0.00 H new ATOM 0 HE2 LYS A 2 27.357 -39.982 10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 2 26.542 -41.084 11.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 26.016 -38.794 11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 26.871 -39.499 13.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 27.660 -38.432 12.066 1.00 0.00 H new ATOM 46 N GLN A 3 32.737 -44.519 11.707 1.00 0.00 N ATOM 47 CA GLN A 3 34.143 -44.763 12.064 1.00 0.00 C ATOM 48 C GLN A 3 34.724 -46.011 11.390 1.00 0.00 C ATOM 49 O GLN A 3 35.850 -45.985 10.891 1.00 0.00 O ATOM 50 CB GLN A 3 34.252 -44.862 13.588 1.00 0.00 C ATOM 51 CG GLN A 3 35.710 -44.847 14.054 1.00 0.00 C ATOM 52 CD GLN A 3 35.802 -44.930 15.571 1.00 0.00 C ATOM 53 OE1 GLN A 3 35.489 -45.949 16.184 1.00 0.00 O ATOM 54 NE2 GLN A 3 36.237 -43.857 16.203 1.00 0.00 N ATOM 0 H GLN A 3 32.055 -44.773 12.422 1.00 0.00 H new ATOM 0 HA GLN A 3 34.737 -43.926 11.697 1.00 0.00 H new ATOM 0 HB2 GLN A 3 33.715 -44.031 14.046 1.00 0.00 H new ATOM 0 HB3 GLN A 3 33.771 -45.779 13.928 1.00 0.00 H new ATOM 0 HG2 GLN A 3 36.246 -45.685 13.608 1.00 0.00 H new ATOM 0 HG3 GLN A 3 36.197 -43.936 13.707 1.00 0.00 H new ATOM 0 HE21 GLN A 3 36.491 -43.022 15.675 1.00 0.00 H new ATOM 0 HE22 GLN A 3 36.319 -43.862 17.220 1.00 0.00 H new ATOM 63 N CYS A 4 33.986 -47.115 11.380 1.00 0.00 N ATOM 64 CA CYS A 4 34.533 -48.353 10.805 1.00 0.00 C ATOM 65 C CYS A 4 34.767 -48.253 9.291 1.00 0.00 C ATOM 66 O CYS A 4 35.765 -48.759 8.778 1.00 0.00 O ATOM 67 CB CYS A 4 33.602 -49.525 11.118 1.00 0.00 C ATOM 68 SG CYS A 4 33.465 -49.720 12.898 1.00 0.00 S ATOM 0 H CYS A 4 33.038 -47.187 11.749 1.00 0.00 H new ATOM 0 HA CYS A 4 35.508 -48.518 11.264 1.00 0.00 H new ATOM 0 HB2 CYS A 4 32.618 -49.348 10.684 1.00 0.00 H new ATOM 0 HB3 CYS A 4 33.988 -50.440 10.670 1.00 0.00 H new ATOM 73 N HIS A 5 33.867 -47.592 8.568 1.00 0.00 N ATOM 74 CA HIS A 5 34.082 -47.381 7.127 1.00 0.00 C ATOM 75 C HIS A 5 35.323 -46.520 6.834 1.00 0.00 C ATOM 76 O HIS A 5 35.980 -46.701 5.809 1.00 0.00 O ATOM 77 CB HIS A 5 32.818 -46.728 6.557 1.00 0.00 C ATOM 78 CG HIS A 5 32.787 -46.725 5.045 1.00 0.00 C ATOM 79 ND1 HIS A 5 33.050 -45.623 4.251 1.00 0.00 N ATOM 80 CD2 HIS A 5 32.403 -47.818 4.256 1.00 0.00 C ATOM 81 CE1 HIS A 5 32.792 -46.157 3.016 1.00 0.00 C ATOM 82 NE2 HIS A 5 32.406 -47.469 2.917 1.00 0.00 N ATOM 0 H HIS A 5 33.001 -47.200 8.938 1.00 0.00 H new ATOM 0 HA HIS A 5 34.270 -48.344 6.651 1.00 0.00 H new ATOM 0 HB2 HIS A 5 31.942 -47.256 6.932 1.00 0.00 H new ATOM 0 HB3 HIS A 5 32.751 -45.702 6.919 1.00 0.00 H new ATOM 0 HD2 HIS A 5 32.142 -48.794 4.639 1.00 0.00 H new ATOM 0 HE1 HIS A 5 32.892 -45.550 2.128 1.00 0.00 H new ATOM 0 HE2 HIS A 5 32.185 -48.028 2.093 1.00 0.00 H new ATOM 91 N LYS A 6 35.658 -45.593 7.728 1.00 0.00 N ATOM 92 CA LYS A 6 36.880 -44.794 7.552 1.00 0.00 C ATOM 93 C LYS A 6 38.149 -45.661 7.583 1.00 0.00 C ATOM 94 O LYS A 6 39.035 -45.497 6.744 1.00 0.00 O ATOM 95 CB LYS A 6 36.908 -43.713 8.640 1.00 0.00 C ATOM 96 CG LYS A 6 38.015 -42.682 8.397 1.00 0.00 C ATOM 97 CD LYS A 6 38.014 -41.609 9.490 1.00 0.00 C ATOM 98 CE LYS A 6 39.095 -40.547 9.267 1.00 0.00 C ATOM 99 NZ LYS A 6 38.839 -39.783 8.032 1.00 0.00 N ATOM 0 H LYS A 6 35.118 -45.375 8.566 1.00 0.00 H new ATOM 0 HA LYS A 6 36.865 -44.327 6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 6 35.943 -43.207 8.674 1.00 0.00 H new ATOM 0 HB3 LYS A 6 37.056 -44.182 9.613 1.00 0.00 H new ATOM 0 HG2 LYS A 6 38.984 -43.182 8.373 1.00 0.00 H new ATOM 0 HG3 LYS A 6 37.874 -42.214 7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 6 37.037 -41.128 9.522 1.00 0.00 H new ATOM 0 HD3 LYS A 6 38.168 -42.082 10.460 1.00 0.00 H new ATOM 0 HE2 LYS A 6 39.124 -39.868 10.119 1.00 0.00 H new ATOM 0 HE3 LYS A 6 40.073 -41.025 9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 39.469 -38.956 7.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 39.018 -40.389 7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 37.849 -39.464 8.020 1.00 0.00 H new ATOM 113 N LYS A 7 38.245 -46.600 8.521 1.00 0.00 N ATOM 114 CA LYS A 7 39.364 -47.554 8.491 1.00 0.00 C ATOM 115 C LYS A 7 39.232 -48.549 7.329 1.00 0.00 C ATOM 116 O LYS A 7 40.205 -48.830 6.630 1.00 0.00 O ATOM 117 CB LYS A 7 39.437 -48.335 9.808 1.00 0.00 C ATOM 118 CG LYS A 7 39.890 -47.476 10.991 1.00 0.00 C ATOM 119 CD LYS A 7 40.181 -48.365 12.201 1.00 0.00 C ATOM 120 CE LYS A 7 40.723 -47.544 13.371 1.00 0.00 C ATOM 121 NZ LYS A 7 41.037 -48.433 14.504 1.00 0.00 N ATOM 0 H LYS A 7 37.587 -46.725 9.291 1.00 0.00 H new ATOM 0 HA LYS A 7 40.276 -46.973 8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 7 38.457 -48.757 10.028 1.00 0.00 H new ATOM 0 HB3 LYS A 7 40.125 -49.172 9.690 1.00 0.00 H new ATOM 0 HG2 LYS A 7 40.783 -46.912 10.721 1.00 0.00 H new ATOM 0 HG3 LYS A 7 39.117 -46.749 11.241 1.00 0.00 H new ATOM 0 HD2 LYS A 7 39.270 -48.880 12.505 1.00 0.00 H new ATOM 0 HD3 LYS A 7 40.904 -49.133 11.926 1.00 0.00 H new ATOM 0 HE2 LYS A 7 41.618 -47.003 13.063 1.00 0.00 H new ATOM 0 HE3 LYS A 7 39.988 -46.799 13.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 41.405 -47.869 15.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 40.174 -48.930 14.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 41.753 -49.128 14.212 1.00 0.00 H new ATOM 135 N GLY A 8 38.042 -49.110 7.138 1.00 0.00 N ATOM 136 CA GLY A 8 37.862 -50.139 6.107 1.00 0.00 C ATOM 137 C GLY A 8 37.417 -51.446 6.755 1.00 0.00 C ATOM 138 O GLY A 8 38.233 -52.321 7.046 1.00 0.00 O ATOM 0 H GLY A 8 37.202 -48.880 7.668 1.00 0.00 H new ATOM 0 HA2 GLY A 8 37.119 -49.812 5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 8 38.795 -50.291 5.564 1.00 0.00 H new ATOM 142 N GLY A 9 36.120 -51.584 6.998 1.00 0.00 N ATOM 143 CA GLY A 9 35.639 -52.774 7.708 1.00 0.00 C ATOM 144 C GLY A 9 34.128 -52.950 7.582 1.00 0.00 C ATOM 145 O GLY A 9 33.459 -52.324 6.759 1.00 0.00 O ATOM 0 H GLY A 9 35.399 -50.915 6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 9 36.140 -53.658 7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 9 35.908 -52.699 8.762 1.00 0.00 H new ATOM 149 N HIS A 10 33.588 -53.830 8.414 1.00 0.00 N ATOM 150 CA HIS A 10 32.144 -54.096 8.382 1.00 0.00 C ATOM 151 C HIS A 10 31.665 -54.421 9.802 1.00 0.00 C ATOM 152 O HIS A 10 32.412 -54.932 10.637 1.00 0.00 O ATOM 153 CB HIS A 10 31.897 -55.254 7.403 1.00 0.00 C ATOM 154 CG HIS A 10 30.445 -55.681 7.303 1.00 0.00 C ATOM 155 ND1 HIS A 10 29.951 -56.874 7.800 1.00 0.00 N ATOM 156 CD2 HIS A 10 29.416 -54.940 6.699 1.00 0.00 C ATOM 157 CE1 HIS A 10 28.629 -56.744 7.465 1.00 0.00 C ATOM 158 NE2 HIS A 10 28.213 -55.622 6.796 1.00 0.00 N ATOM 0 H HIS A 10 34.109 -54.365 9.108 1.00 0.00 H new ATOM 0 HA HIS A 10 31.580 -53.229 8.039 1.00 0.00 H new ATOM 0 HB2 HIS A 10 32.247 -54.960 6.414 1.00 0.00 H new ATOM 0 HB3 HIS A 10 32.496 -56.111 7.712 1.00 0.00 H new ATOM 0 HD1 HIS A 10 30.434 -57.634 8.279 1.00 0.00 H new ATOM 0 HD2 HIS A 10 29.544 -53.977 6.227 1.00 0.00 H new ATOM 0 HE1 HIS A 10 27.922 -57.518 7.725 1.00 0.00 H new ATOM 167 N CYS A 11 30.398 -54.130 10.074 1.00 0.00 N ATOM 168 CA CYS A 11 29.823 -54.493 11.376 1.00 0.00 C ATOM 169 C CYS A 11 29.439 -55.975 11.389 1.00 0.00 C ATOM 170 O CYS A 11 28.657 -56.444 10.561 1.00 0.00 O ATOM 171 CB CYS A 11 28.565 -53.657 11.625 1.00 0.00 C ATOM 172 SG CYS A 11 28.979 -51.943 11.990 1.00 0.00 S ATOM 0 H CYS A 11 29.759 -53.657 9.434 1.00 0.00 H new ATOM 0 HA CYS A 11 30.563 -54.303 12.153 1.00 0.00 H new ATOM 0 HB2 CYS A 11 27.919 -53.698 10.748 1.00 0.00 H new ATOM 0 HB3 CYS A 11 28.002 -54.082 12.456 1.00 0.00 H new ATOM 177 N PHE A 12 29.975 -56.712 12.353 1.00 0.00 N ATOM 178 CA PHE A 12 29.592 -58.122 12.508 1.00 0.00 C ATOM 179 C PHE A 12 29.133 -58.346 13.955 1.00 0.00 C ATOM 180 O PHE A 12 29.670 -57.728 14.875 1.00 0.00 O ATOM 181 CB PHE A 12 30.795 -59.042 12.258 1.00 0.00 C ATOM 182 CG PHE A 12 31.373 -58.962 10.857 1.00 0.00 C ATOM 183 CD1 PHE A 12 32.341 -58.055 10.586 1.00 0.00 C ATOM 184 CD2 PHE A 12 30.996 -59.846 9.903 1.00 0.00 C ATOM 185 CE1 PHE A 12 32.943 -58.043 9.374 1.00 0.00 C ATOM 186 CE2 PHE A 12 31.590 -59.827 8.687 1.00 0.00 C ATOM 187 CZ PHE A 12 32.568 -58.929 8.424 1.00 0.00 C ATOM 0 H PHE A 12 30.661 -56.374 13.028 1.00 0.00 H new ATOM 0 HA PHE A 12 28.802 -58.349 11.793 1.00 0.00 H new ATOM 0 HB2 PHE A 12 31.579 -58.796 12.974 1.00 0.00 H new ATOM 0 HB3 PHE A 12 30.495 -60.071 12.455 1.00 0.00 H new ATOM 0 HD1 PHE A 12 32.634 -57.339 11.339 1.00 0.00 H new ATOM 0 HD2 PHE A 12 30.220 -60.567 10.113 1.00 0.00 H new ATOM 0 HE1 PHE A 12 33.723 -57.326 9.166 1.00 0.00 H new ATOM 0 HE2 PHE A 12 31.283 -60.529 7.926 1.00 0.00 H new ATOM 0 HZ PHE A 12 33.048 -58.920 7.457 1.00 0.00 H new ATOM 197 N PRO A 13 28.193 -59.254 14.223 1.00 0.00 N ATOM 198 CA PRO A 13 27.862 -59.634 15.601 1.00 0.00 C ATOM 199 C PRO A 13 29.089 -60.130 16.372 1.00 0.00 C ATOM 200 O PRO A 13 30.071 -60.589 15.788 1.00 0.00 O ATOM 201 CB PRO A 13 26.856 -60.768 15.381 1.00 0.00 C ATOM 202 CG PRO A 13 26.273 -60.512 13.992 1.00 0.00 C ATOM 203 CD PRO A 13 27.450 -59.969 13.186 1.00 0.00 C ATOM 0 HA PRO A 13 27.481 -58.805 16.198 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.342 -61.742 15.432 1.00 0.00 H new ATOM 0 HB3 PRO A 13 26.078 -60.759 16.144 1.00 0.00 H new ATOM 0 HG2 PRO A 13 25.877 -61.427 13.551 1.00 0.00 H new ATOM 0 HG3 PRO A 13 25.452 -59.796 14.030 1.00 0.00 H new ATOM 0 HD2 PRO A 13 28.040 -60.765 12.731 1.00 0.00 H new ATOM 0 HD3 PRO A 13 27.128 -59.309 12.380 1.00 0.00 H new ATOM 211 N LYS A 14 29.042 -60.048 17.695 1.00 0.00 N ATOM 212 CA LYS A 14 30.203 -60.470 18.495 1.00 0.00 C ATOM 213 C LYS A 14 30.563 -61.961 18.348 1.00 0.00 C ATOM 214 O LYS A 14 31.729 -62.337 18.470 1.00 0.00 O ATOM 215 CB LYS A 14 29.977 -60.098 19.966 1.00 0.00 C ATOM 216 CG LYS A 14 28.778 -60.810 20.601 1.00 0.00 C ATOM 217 CD LYS A 14 28.763 -60.556 22.109 1.00 0.00 C ATOM 218 CE LYS A 14 27.586 -61.244 22.802 1.00 0.00 C ATOM 219 NZ LYS A 14 27.680 -62.710 22.667 1.00 0.00 N ATOM 0 H LYS A 14 28.244 -59.706 18.231 1.00 0.00 H new ATOM 0 HA LYS A 14 31.066 -59.932 18.102 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.875 -60.338 20.535 1.00 0.00 H new ATOM 0 HB3 LYS A 14 29.831 -59.020 20.041 1.00 0.00 H new ATOM 0 HG2 LYS A 14 27.851 -60.451 20.153 1.00 0.00 H new ATOM 0 HG3 LYS A 14 28.833 -61.881 20.404 1.00 0.00 H new ATOM 0 HD2 LYS A 14 29.697 -60.912 22.544 1.00 0.00 H new ATOM 0 HD3 LYS A 14 28.714 -59.483 22.294 1.00 0.00 H new ATOM 0 HE2 LYS A 14 27.571 -60.972 23.857 1.00 0.00 H new ATOM 0 HE3 LYS A 14 26.649 -60.894 22.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 26.984 -63.162 23.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 27.485 -62.981 21.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 28.637 -63.022 22.929 1.00 0.00 H new ATOM 233 N GLU A 15 29.573 -62.813 18.111 1.00 0.00 N ATOM 234 CA GLU A 15 29.805 -64.265 18.169 1.00 0.00 C ATOM 235 C GLU A 15 30.014 -64.941 16.804 1.00 0.00 C ATOM 236 O GLU A 15 30.577 -66.033 16.728 1.00 0.00 O ATOM 237 CB GLU A 15 28.590 -64.880 18.879 1.00 0.00 C ATOM 238 CG GLU A 15 27.298 -64.779 18.056 1.00 0.00 C ATOM 239 CD GLU A 15 26.067 -65.212 18.833 1.00 0.00 C ATOM 240 OE1 GLU A 15 25.943 -64.858 20.026 1.00 0.00 O ATOM 241 OE2 GLU A 15 25.203 -65.895 18.240 1.00 0.00 O ATOM 0 H GLU A 15 28.618 -62.539 17.881 1.00 0.00 H new ATOM 0 HA GLU A 15 30.740 -64.434 18.704 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.795 -65.928 19.095 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.444 -64.380 19.836 1.00 0.00 H new ATOM 0 HG2 GLU A 15 27.166 -63.750 17.720 1.00 0.00 H new ATOM 0 HG3 GLU A 15 27.393 -65.396 17.163 1.00 0.00 H new ATOM 248 N LYS A 16 29.526 -64.335 15.728 1.00 0.00 N ATOM 249 CA LYS A 16 29.481 -65.046 14.441 1.00 0.00 C ATOM 250 C LYS A 16 30.772 -64.838 13.629 1.00 0.00 C ATOM 251 O LYS A 16 31.826 -64.505 14.172 1.00 0.00 O ATOM 252 CB LYS A 16 28.204 -64.619 13.696 1.00 0.00 C ATOM 253 CG LYS A 16 26.954 -64.793 14.570 1.00 0.00 C ATOM 254 CD LYS A 16 25.658 -64.533 13.800 1.00 0.00 C ATOM 255 CE LYS A 16 24.430 -64.516 14.717 1.00 0.00 C ATOM 256 NZ LYS A 16 24.294 -65.778 15.469 1.00 0.00 N ATOM 0 H LYS A 16 29.164 -63.382 15.710 1.00 0.00 H new ATOM 0 HA LYS A 16 29.434 -66.122 14.605 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.292 -63.577 13.390 1.00 0.00 H new ATOM 0 HB3 LYS A 16 28.098 -65.210 12.787 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.936 -65.805 14.974 1.00 0.00 H new ATOM 0 HG3 LYS A 16 27.011 -64.112 15.419 1.00 0.00 H new ATOM 0 HD2 LYS A 16 25.733 -63.579 13.279 1.00 0.00 H new ATOM 0 HD3 LYS A 16 25.530 -65.303 13.039 1.00 0.00 H new ATOM 0 HE2 LYS A 16 24.509 -63.683 15.415 1.00 0.00 H new ATOM 0 HE3 LYS A 16 23.533 -64.349 14.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 23.291 -66.050 15.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 24.836 -66.527 14.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.659 -65.648 16.434 1.00 0.00 H new ATOM 270 N ILE A 17 30.715 -65.092 12.325 1.00 0.00 N ATOM 271 CA ILE A 17 31.950 -65.136 11.526 1.00 0.00 C ATOM 272 C ILE A 17 32.471 -63.744 11.164 1.00 0.00 C ATOM 273 O ILE A 17 31.736 -62.843 10.760 1.00 0.00 O ATOM 274 CB ILE A 17 31.696 -65.933 10.227 1.00 0.00 C ATOM 275 CG1 ILE A 17 31.456 -67.413 10.556 1.00 0.00 C ATOM 276 CG2 ILE A 17 32.864 -65.802 9.232 1.00 0.00 C ATOM 277 CD1 ILE A 17 30.963 -68.208 9.346 1.00 0.00 C ATOM 0 H ILE A 17 29.856 -65.267 11.804 1.00 0.00 H new ATOM 0 HA ILE A 17 32.710 -65.622 12.138 1.00 0.00 H new ATOM 0 HB ILE A 17 30.809 -65.513 9.754 1.00 0.00 H new ATOM 0 HG12 ILE A 17 32.382 -67.855 10.925 1.00 0.00 H new ATOM 0 HG13 ILE A 17 30.724 -67.489 11.360 1.00 0.00 H new ATOM 0 HG21 ILE A 17 32.643 -66.378 8.333 1.00 0.00 H new ATOM 0 HG22 ILE A 17 33.000 -64.754 8.967 1.00 0.00 H new ATOM 0 HG23 ILE A 17 33.777 -66.182 9.691 1.00 0.00 H new ATOM 0 HD11 ILE A 17 30.809 -69.248 9.632 1.00 0.00 H new ATOM 0 HD12 ILE A 17 30.022 -67.786 8.992 1.00 0.00 H new ATOM 0 HD13 ILE A 17 31.706 -68.157 8.550 1.00 0.00 H new ATOM 289 N CYS A 18 33.788 -63.625 11.253 1.00 0.00 N ATOM 290 CA CYS A 18 34.478 -62.475 10.667 1.00 0.00 C ATOM 291 C CYS A 18 35.378 -63.045 9.566 1.00 0.00 C ATOM 292 O CYS A 18 35.901 -64.154 9.683 1.00 0.00 O ATOM 293 CB CYS A 18 35.295 -61.739 11.729 1.00 0.00 C ATOM 294 SG CYS A 18 36.316 -60.506 10.908 1.00 0.00 S ATOM 0 H CYS A 18 34.397 -64.298 11.718 1.00 0.00 H new ATOM 0 HA CYS A 18 33.777 -61.746 10.261 1.00 0.00 H new ATOM 0 HB2 CYS A 18 34.634 -61.263 12.453 1.00 0.00 H new ATOM 0 HB3 CYS A 18 35.919 -62.441 12.281 1.00 0.00 H new ATOM 299 N LEU A 19 35.542 -62.318 8.469 1.00 0.00 N ATOM 300 CA LEU A 19 36.323 -62.864 7.350 1.00 0.00 C ATOM 301 C LEU A 19 37.158 -61.733 6.728 1.00 0.00 C ATOM 302 O LEU A 19 36.600 -60.830 6.105 1.00 0.00 O ATOM 303 CB LEU A 19 35.339 -63.501 6.356 1.00 0.00 C ATOM 304 CG LEU A 19 35.970 -64.383 5.265 1.00 0.00 C ATOM 305 CD1 LEU A 19 36.873 -63.605 4.307 1.00 0.00 C ATOM 306 CD2 LEU A 19 36.740 -65.554 5.879 1.00 0.00 C ATOM 0 H LEU A 19 35.163 -61.382 8.324 1.00 0.00 H new ATOM 0 HA LEU A 19 37.023 -63.635 7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.624 -64.104 6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.774 -62.705 5.872 1.00 0.00 H new ATOM 0 HG LEU A 19 35.138 -64.769 4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 19 37.286 -64.286 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.292 -62.830 3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 19 37.686 -63.144 4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 19 37.175 -66.160 5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 19 37.534 -65.171 6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 19 36.060 -66.166 6.471 1.00 0.00 H new ATOM 318 N PRO A 20 38.488 -61.735 6.868 1.00 0.00 N ATOM 319 CA PRO A 20 39.226 -62.782 7.583 1.00 0.00 C ATOM 320 C PRO A 20 38.933 -62.752 9.091 1.00 0.00 C ATOM 321 O PRO A 20 38.555 -61.715 9.639 1.00 0.00 O ATOM 322 CB PRO A 20 40.678 -62.410 7.271 1.00 0.00 C ATOM 323 CG PRO A 20 40.647 -60.903 7.017 1.00 0.00 C ATOM 324 CD PRO A 20 39.322 -60.685 6.291 1.00 0.00 C ATOM 0 HA PRO A 20 38.962 -63.796 7.282 1.00 0.00 H new ATOM 0 HB2 PRO A 20 41.338 -62.658 8.103 1.00 0.00 H new ATOM 0 HB3 PRO A 20 41.047 -62.951 6.399 1.00 0.00 H new ATOM 0 HG2 PRO A 20 40.690 -60.339 7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 20 41.494 -60.582 6.410 1.00 0.00 H new ATOM 0 HD2 PRO A 20 38.914 -59.691 6.475 1.00 0.00 H new ATOM 0 HD3 PRO A 20 39.425 -60.792 5.211 1.00 0.00 H new ATOM 332 N PRO A 21 39.077 -63.878 9.787 1.00 0.00 N ATOM 333 CA PRO A 21 38.588 -63.989 11.164 1.00 0.00 C ATOM 334 C PRO A 21 39.471 -63.321 12.224 1.00 0.00 C ATOM 335 O PRO A 21 38.961 -62.825 13.228 1.00 0.00 O ATOM 336 CB PRO A 21 38.508 -65.508 11.348 1.00 0.00 C ATOM 337 CG PRO A 21 39.517 -66.092 10.359 1.00 0.00 C ATOM 338 CD PRO A 21 39.465 -65.144 9.164 1.00 0.00 C ATOM 0 HA PRO A 21 37.645 -63.461 11.305 1.00 0.00 H new ATOM 0 HB2 PRO A 21 38.752 -65.793 12.372 1.00 0.00 H new ATOM 0 HB3 PRO A 21 37.502 -65.876 11.146 1.00 0.00 H new ATOM 0 HG2 PRO A 21 40.517 -66.135 10.790 1.00 0.00 H new ATOM 0 HG3 PRO A 21 39.250 -67.109 10.072 1.00 0.00 H new ATOM 0 HD2 PRO A 21 40.429 -65.071 8.661 1.00 0.00 H new ATOM 0 HD3 PRO A 21 38.740 -65.469 8.418 1.00 0.00 H new ATOM 346 N SER A 22 40.787 -63.314 12.041 1.00 0.00 N ATOM 347 CA SER A 22 41.670 -62.797 13.096 1.00 0.00 C ATOM 348 C SER A 22 41.978 -61.311 12.877 1.00 0.00 C ATOM 349 O SER A 22 43.118 -60.920 12.622 1.00 0.00 O ATOM 350 CB SER A 22 42.950 -63.638 13.105 1.00 0.00 C ATOM 351 OG SER A 22 42.642 -64.987 13.433 1.00 0.00 O ATOM 0 H SER A 22 41.261 -63.648 11.202 1.00 0.00 H new ATOM 0 HA SER A 22 41.176 -62.874 14.065 1.00 0.00 H new ATOM 0 HB2 SER A 22 43.431 -63.593 12.128 1.00 0.00 H new ATOM 0 HB3 SER A 22 43.657 -63.231 13.828 1.00 0.00 H new ATOM 0 HG SER A 22 43.465 -65.519 13.435 1.00 0.00 H new ATOM 357 N SER A 23 40.957 -60.470 12.990 1.00 0.00 N ATOM 358 CA SER A 23 41.160 -59.020 12.855 1.00 0.00 C ATOM 359 C SER A 23 39.934 -58.300 13.424 1.00 0.00 C ATOM 360 O SER A 23 39.088 -57.789 12.690 1.00 0.00 O ATOM 361 CB SER A 23 41.363 -58.658 11.380 1.00 0.00 C ATOM 362 OG SER A 23 42.616 -59.142 10.914 1.00 0.00 O ATOM 0 H SER A 23 39.994 -60.753 13.171 1.00 0.00 H new ATOM 0 HA SER A 23 42.049 -58.712 13.405 1.00 0.00 H new ATOM 0 HB2 SER A 23 40.557 -59.083 10.781 1.00 0.00 H new ATOM 0 HB3 SER A 23 41.316 -57.576 11.256 1.00 0.00 H new ATOM 0 HG SER A 23 43.107 -59.549 11.658 1.00 0.00 H new ATOM 368 N ASP A 24 39.827 -58.274 14.748 1.00 0.00 N ATOM 369 CA ASP A 24 38.603 -57.758 15.379 1.00 0.00 C ATOM 370 C ASP A 24 38.795 -56.331 15.891 1.00 0.00 C ATOM 371 O ASP A 24 39.835 -55.956 16.433 1.00 0.00 O ATOM 372 CB ASP A 24 38.207 -58.676 16.542 1.00 0.00 C ATOM 373 CG ASP A 24 37.810 -60.070 16.074 1.00 0.00 C ATOM 374 OD1 ASP A 24 36.738 -60.212 15.447 1.00 0.00 O ATOM 375 OD2 ASP A 24 38.561 -61.033 16.340 1.00 0.00 O ATOM 0 H ASP A 24 40.547 -58.593 15.396 1.00 0.00 H new ATOM 0 HA ASP A 24 37.813 -57.740 14.629 1.00 0.00 H new ATOM 0 HB2 ASP A 24 39.041 -58.754 17.240 1.00 0.00 H new ATOM 0 HB3 ASP A 24 37.376 -58.229 17.087 1.00 0.00 H new ATOM 380 N PHE A 25 37.742 -55.542 15.730 1.00 0.00 N ATOM 381 CA PHE A 25 37.734 -54.169 16.247 1.00 0.00 C ATOM 382 C PHE A 25 36.617 -54.062 17.293 1.00 0.00 C ATOM 383 O PHE A 25 35.625 -54.791 17.252 1.00 0.00 O ATOM 384 CB PHE A 25 37.472 -53.208 15.080 1.00 0.00 C ATOM 385 CG PHE A 25 38.588 -53.180 14.049 1.00 0.00 C ATOM 386 CD1 PHE A 25 39.828 -52.740 14.378 1.00 0.00 C ATOM 387 CD2 PHE A 25 38.335 -53.586 12.781 1.00 0.00 C ATOM 388 CE1 PHE A 25 40.812 -52.729 13.449 1.00 0.00 C ATOM 389 CE2 PHE A 25 39.319 -53.575 11.853 1.00 0.00 C ATOM 390 CZ PHE A 25 40.559 -53.151 12.188 1.00 0.00 C ATOM 0 H PHE A 25 36.886 -55.820 15.250 1.00 0.00 H new ATOM 0 HA PHE A 25 38.688 -53.913 16.707 1.00 0.00 H new ATOM 0 HB2 PHE A 25 36.542 -53.493 14.588 1.00 0.00 H new ATOM 0 HB3 PHE A 25 37.329 -52.202 15.475 1.00 0.00 H new ATOM 0 HD1 PHE A 25 40.030 -52.398 15.382 1.00 0.00 H new ATOM 0 HD2 PHE A 25 37.344 -53.920 12.510 1.00 0.00 H new ATOM 0 HE1 PHE A 25 41.800 -52.383 13.714 1.00 0.00 H new ATOM 0 HE2 PHE A 25 39.115 -53.905 10.845 1.00 0.00 H new ATOM 0 HZ PHE A 25 41.347 -53.149 11.450 1.00 0.00 H new ATOM 400 N GLY A 26 36.772 -53.158 18.252 1.00 0.00 N ATOM 401 CA GLY A 26 35.807 -53.099 19.360 1.00 0.00 C ATOM 402 C GLY A 26 34.483 -52.450 18.961 1.00 0.00 C ATOM 403 O GLY A 26 34.026 -52.552 17.822 1.00 0.00 O ATOM 0 H GLY A 26 37.527 -52.474 18.294 1.00 0.00 H new ATOM 0 HA2 GLY A 26 35.616 -54.109 19.723 1.00 0.00 H new ATOM 0 HA3 GLY A 26 36.245 -52.540 20.187 1.00 0.00 H new ATOM 407 N LYS A 27 33.851 -51.777 19.915 1.00 0.00 N ATOM 408 CA LYS A 27 32.590 -51.091 19.606 1.00 0.00 C ATOM 409 C LYS A 27 32.907 -49.747 18.938 1.00 0.00 C ATOM 410 O LYS A 27 33.207 -48.739 19.577 1.00 0.00 O ATOM 411 CB LYS A 27 31.719 -50.984 20.867 1.00 0.00 C ATOM 412 CG LYS A 27 32.319 -50.119 21.979 1.00 0.00 C ATOM 413 CD LYS A 27 31.449 -50.168 23.235 1.00 0.00 C ATOM 414 CE LYS A 27 32.036 -49.280 24.332 1.00 0.00 C ATOM 415 NZ LYS A 27 31.210 -49.387 25.546 1.00 0.00 N ATOM 0 H LYS A 27 34.172 -51.689 20.879 1.00 0.00 H new ATOM 0 HA LYS A 27 31.995 -51.663 18.894 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.748 -50.575 20.589 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.543 -51.986 21.258 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.325 -50.467 22.214 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.411 -49.089 21.635 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.438 -49.839 22.996 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.374 -51.195 23.592 1.00 0.00 H new ATOM 0 HE2 LYS A 27 33.061 -49.582 24.549 1.00 0.00 H new ATOM 0 HE3 LYS A 27 32.073 -48.244 23.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.610 -48.783 26.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.240 -49.079 25.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.197 -50.375 25.871 1.00 0.00 H new ATOM 429 N MET A 28 32.890 -49.764 17.614 1.00 0.00 N ATOM 430 CA MET A 28 33.355 -48.606 16.844 1.00 0.00 C ATOM 431 C MET A 28 32.156 -47.761 16.400 1.00 0.00 C ATOM 432 O MET A 28 31.896 -46.689 16.946 1.00 0.00 O ATOM 433 CB MET A 28 34.124 -49.162 15.640 1.00 0.00 C ATOM 434 CG MET A 28 35.518 -49.690 15.980 1.00 0.00 C ATOM 435 SD MET A 28 36.746 -48.398 15.725 1.00 0.00 S ATOM 436 CE MET A 28 36.711 -48.335 13.922 1.00 0.00 C ATOM 0 H MET A 28 32.566 -50.551 17.051 1.00 0.00 H new ATOM 0 HA MET A 28 34.000 -47.958 17.437 1.00 0.00 H new ATOM 0 HB2 MET A 28 33.542 -49.967 15.191 1.00 0.00 H new ATOM 0 HB3 MET A 28 34.217 -48.378 14.888 1.00 0.00 H new ATOM 0 HG2 MET A 28 35.545 -50.029 17.016 1.00 0.00 H new ATOM 0 HG3 MET A 28 35.751 -50.553 15.356 1.00 0.00 H new ATOM 0 HE1 MET A 28 37.574 -47.776 13.561 1.00 0.00 H new ATOM 0 HE2 MET A 28 36.742 -49.348 13.522 1.00 0.00 H new ATOM 0 HE3 MET A 28 35.796 -47.842 13.593 1.00 0.00 H new ATOM 446 N ASP A 29 31.418 -48.245 15.407 1.00 0.00 N ATOM 447 CA ASP A 29 30.222 -47.529 14.949 1.00 0.00 C ATOM 448 C ASP A 29 29.191 -48.575 14.499 1.00 0.00 C ATOM 449 O ASP A 29 28.795 -48.639 13.335 1.00 0.00 O ATOM 450 CB ASP A 29 30.634 -46.574 13.821 1.00 0.00 C ATOM 451 CG ASP A 29 29.557 -45.549 13.486 1.00 0.00 C ATOM 452 OD1 ASP A 29 28.689 -45.833 12.633 1.00 0.00 O ATOM 453 OD2 ASP A 29 29.588 -44.441 14.062 1.00 0.00 O ATOM 0 H ASP A 29 31.617 -49.113 14.909 1.00 0.00 H new ATOM 0 HA ASP A 29 29.768 -46.928 15.737 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.547 -46.053 14.109 1.00 0.00 H new ATOM 0 HB3 ASP A 29 30.866 -47.154 12.928 1.00 0.00 H new ATOM 458 N CYS A 30 28.773 -49.426 15.431 1.00 0.00 N ATOM 459 CA CYS A 30 27.826 -50.495 15.091 1.00 0.00 C ATOM 460 C CYS A 30 26.676 -50.458 16.108 1.00 0.00 C ATOM 461 O CYS A 30 25.806 -49.589 16.036 1.00 0.00 O ATOM 462 CB CYS A 30 28.577 -51.833 15.073 1.00 0.00 C ATOM 463 SG CYS A 30 29.843 -51.849 13.791 1.00 0.00 S ATOM 0 H CYS A 30 29.064 -49.403 16.408 1.00 0.00 H new ATOM 0 HA CYS A 30 27.393 -50.361 14.100 1.00 0.00 H new ATOM 0 HB2 CYS A 30 29.037 -52.008 16.045 1.00 0.00 H new ATOM 0 HB3 CYS A 30 27.872 -52.647 14.903 1.00 0.00 H new ATOM 468 N ARG A 31 26.666 -51.369 17.075 1.00 0.00 N ATOM 469 CA ARG A 31 25.697 -51.265 18.175 1.00 0.00 C ATOM 470 C ARG A 31 26.313 -51.862 19.449 1.00 0.00 C ATOM 471 O ARG A 31 27.504 -52.169 19.510 1.00 0.00 O ATOM 472 CB ARG A 31 24.351 -51.898 17.779 1.00 0.00 C ATOM 473 CG ARG A 31 24.414 -53.423 17.641 1.00 0.00 C ATOM 474 CD ARG A 31 23.075 -54.029 17.212 1.00 0.00 C ATOM 475 NE ARG A 31 22.079 -53.916 18.287 1.00 0.00 N ATOM 476 CZ ARG A 31 20.850 -54.394 18.132 1.00 0.00 C ATOM 477 NH1 ARG A 31 20.471 -54.975 17.008 1.00 0.00 N ATOM 478 NH2 ARG A 31 19.988 -54.287 19.123 1.00 0.00 N ATOM 0 H ARG A 31 27.296 -52.169 17.127 1.00 0.00 H new ATOM 0 HA ARG A 31 25.474 -50.219 18.387 1.00 0.00 H new ATOM 0 HB2 ARG A 31 23.602 -51.639 18.527 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.020 -51.468 16.834 1.00 0.00 H new ATOM 0 HG2 ARG A 31 25.179 -53.687 16.911 1.00 0.00 H new ATOM 0 HG3 ARG A 31 24.718 -53.858 18.593 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.711 -53.521 16.319 1.00 0.00 H new ATOM 0 HD3 ARG A 31 23.214 -55.077 16.948 1.00 0.00 H new ATOM 0 HE ARG A 31 22.336 -53.464 19.165 1.00 0.00 H new ATOM 0 HH11 ARG A 31 21.129 -55.065 16.233 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.521 -55.334 16.915 1.00 0.00 H new ATOM 0 HH21 ARG A 31 20.268 -53.841 19.997 1.00 0.00 H new ATOM 0 HH22 ARG A 31 19.041 -54.650 19.016 1.00 0.00 H new ATOM 492 N TRP A 32 25.503 -52.002 20.490 1.00 0.00 N ATOM 493 CA TRP A 32 26.034 -52.389 21.803 1.00 0.00 C ATOM 494 C TRP A 32 26.744 -53.750 21.808 1.00 0.00 C ATOM 495 O TRP A 32 27.904 -53.850 22.208 1.00 0.00 O ATOM 496 CB TRP A 32 24.844 -52.343 22.768 1.00 0.00 C ATOM 497 CG TRP A 32 25.226 -52.616 24.209 1.00 0.00 C ATOM 498 CD1 TRP A 32 24.774 -53.678 24.997 1.00 0.00 C ATOM 499 CD2 TRP A 32 26.036 -51.865 25.022 1.00 0.00 C ATOM 500 NE1 TRP A 32 25.315 -53.605 26.290 1.00 0.00 N ATOM 501 CE2 TRP A 32 26.092 -52.457 26.255 1.00 0.00 C ATOM 502 CE3 TRP A 32 26.692 -50.712 24.761 1.00 0.00 C ATOM 503 CZ2 TRP A 32 26.824 -51.908 27.251 1.00 0.00 C ATOM 504 CZ3 TRP A 32 27.421 -50.157 25.765 1.00 0.00 C ATOM 505 CH2 TRP A 32 27.491 -50.751 26.993 1.00 0.00 C ATOM 0 H TRP A 32 24.494 -51.858 20.460 1.00 0.00 H new ATOM 0 HA TRP A 32 26.821 -51.699 22.107 1.00 0.00 H new ATOM 0 HB2 TRP A 32 24.372 -51.362 22.705 1.00 0.00 H new ATOM 0 HB3 TRP A 32 24.101 -53.075 22.452 1.00 0.00 H new ATOM 0 HD1 TRP A 32 24.100 -54.450 24.657 1.00 0.00 H new ATOM 0 HE1 TRP A 32 25.171 -54.245 27.071 1.00 0.00 H new ATOM 0 HE3 TRP A 32 26.639 -50.248 23.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 26.877 -52.375 28.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 27.952 -49.233 25.589 1.00 0.00 H new ATOM 0 HH2 TRP A 32 28.085 -50.295 27.771 1.00 0.00 H new ATOM 516 N ARG A 33 26.060 -54.802 21.380 1.00 0.00 N ATOM 517 CA ARG A 33 26.670 -56.142 21.431 1.00 0.00 C ATOM 518 C ARG A 33 27.356 -56.562 20.121 1.00 0.00 C ATOM 519 O ARG A 33 27.725 -57.726 19.967 1.00 0.00 O ATOM 520 CB ARG A 33 25.591 -57.173 21.789 1.00 0.00 C ATOM 521 CG ARG A 33 25.035 -56.957 23.198 1.00 0.00 C ATOM 522 CD ARG A 33 23.884 -57.917 23.491 1.00 0.00 C ATOM 523 NE ARG A 33 23.397 -57.684 24.855 1.00 0.00 N ATOM 524 CZ ARG A 33 22.283 -58.256 25.292 1.00 0.00 C ATOM 525 NH1 ARG A 33 21.570 -59.054 24.518 1.00 0.00 N ATOM 526 NH2 ARG A 33 21.882 -58.022 26.525 1.00 0.00 N ATOM 0 H ARG A 33 25.113 -54.768 21.004 1.00 0.00 H new ATOM 0 HA ARG A 33 27.450 -56.101 22.191 1.00 0.00 H new ATOM 0 HB2 ARG A 33 24.778 -57.113 21.066 1.00 0.00 H new ATOM 0 HB3 ARG A 33 26.010 -58.177 21.715 1.00 0.00 H new ATOM 0 HG2 ARG A 33 25.829 -57.102 23.931 1.00 0.00 H new ATOM 0 HG3 ARG A 33 24.689 -55.928 23.302 1.00 0.00 H new ATOM 0 HD2 ARG A 33 23.077 -57.766 22.773 1.00 0.00 H new ATOM 0 HD3 ARG A 33 24.219 -58.949 23.383 1.00 0.00 H new ATOM 0 HE ARG A 33 23.924 -57.072 25.478 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.873 -59.242 23.562 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.717 -59.483 24.876 1.00 0.00 H new ATOM 0 HH21 ARG A 33 22.426 -57.408 27.130 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.027 -58.455 26.874 1.00 0.00 H new ATOM 540 N TRP A 34 27.539 -55.651 19.168 1.00 0.00 N ATOM 541 CA TRP A 34 28.212 -56.030 17.915 1.00 0.00 C ATOM 542 C TRP A 34 29.597 -55.381 17.845 1.00 0.00 C ATOM 543 O TRP A 34 29.935 -54.463 18.593 1.00 0.00 O ATOM 544 CB TRP A 34 27.369 -55.618 16.700 1.00 0.00 C ATOM 545 CG TRP A 34 26.133 -56.474 16.461 1.00 0.00 C ATOM 546 CD1 TRP A 34 25.483 -57.346 17.348 1.00 0.00 C ATOM 547 CD2 TRP A 34 25.445 -56.576 15.275 1.00 0.00 C ATOM 548 NE1 TRP A 34 24.397 -57.975 16.724 1.00 0.00 N ATOM 549 CE2 TRP A 34 24.415 -57.464 15.437 1.00 0.00 C ATOM 550 CE3 TRP A 34 25.677 -55.973 14.086 1.00 0.00 C ATOM 551 CZ2 TRP A 34 23.591 -57.760 14.404 1.00 0.00 C ATOM 552 CZ3 TRP A 34 24.848 -56.271 13.051 1.00 0.00 C ATOM 553 CH2 TRP A 34 23.817 -57.152 13.209 1.00 0.00 C ATOM 0 H TRP A 34 27.245 -54.676 19.228 1.00 0.00 H new ATOM 0 HA TRP A 34 28.328 -57.114 17.899 1.00 0.00 H new ATOM 0 HB2 TRP A 34 27.057 -54.581 16.827 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.997 -55.655 15.810 1.00 0.00 H new ATOM 0 HD1 TRP A 34 25.780 -57.510 18.373 1.00 0.00 H new ATOM 0 HE1 TRP A 34 23.746 -58.651 17.124 1.00 0.00 H new ATOM 0 HE3 TRP A 34 26.494 -55.278 13.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 22.777 -58.459 14.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 25.007 -55.804 12.090 1.00 0.00 H new ATOM 0 HH2 TRP A 34 23.171 -57.369 12.371 1.00 0.00 H new ATOM 564 N LYS A 35 30.412 -55.892 16.932 1.00 0.00 N ATOM 565 CA LYS A 35 31.796 -55.416 16.809 1.00 0.00 C ATOM 566 C LYS A 35 32.110 -55.077 15.349 1.00 0.00 C ATOM 567 O LYS A 35 31.474 -55.578 14.422 1.00 0.00 O ATOM 568 CB LYS A 35 32.744 -56.526 17.292 1.00 0.00 C ATOM 569 CG LYS A 35 32.566 -57.838 16.513 1.00 0.00 C ATOM 570 CD LYS A 35 33.630 -58.878 16.870 1.00 0.00 C ATOM 571 CE LYS A 35 33.373 -60.173 16.098 1.00 0.00 C ATOM 572 NZ LYS A 35 34.463 -61.136 16.331 1.00 0.00 N ATOM 0 H LYS A 35 30.151 -56.625 16.272 1.00 0.00 H new ATOM 0 HA LYS A 35 31.927 -54.519 17.414 1.00 0.00 H new ATOM 0 HB2 LYS A 35 33.775 -56.186 17.193 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.570 -56.711 18.352 1.00 0.00 H new ATOM 0 HG2 LYS A 35 31.577 -58.248 16.719 1.00 0.00 H new ATOM 0 HG3 LYS A 35 32.609 -57.631 15.444 1.00 0.00 H new ATOM 0 HD2 LYS A 35 34.621 -58.493 16.631 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.614 -59.074 17.942 1.00 0.00 H new ATOM 0 HE2 LYS A 35 32.423 -60.607 16.410 1.00 0.00 H new ATOM 0 HE3 LYS A 35 33.291 -59.958 15.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.115 -62.102 16.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 35.249 -60.934 15.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.796 -61.053 17.313 1.00 0.00 H new ATOM 586 N CYS A 36 33.132 -54.261 15.124 1.00 0.00 N ATOM 587 CA CYS A 36 33.627 -54.099 13.753 1.00 0.00 C ATOM 588 C CYS A 36 34.715 -55.143 13.496 1.00 0.00 C ATOM 589 O CYS A 36 35.342 -55.672 14.414 1.00 0.00 O ATOM 590 CB CYS A 36 34.159 -52.680 13.548 1.00 0.00 C ATOM 591 SG CYS A 36 32.775 -51.545 13.346 1.00 0.00 S ATOM 0 H CYS A 36 33.621 -53.719 15.837 1.00 0.00 H new ATOM 0 HA CYS A 36 32.815 -54.251 13.041 1.00 0.00 H new ATOM 0 HB2 CYS A 36 34.767 -52.381 14.402 1.00 0.00 H new ATOM 0 HB3 CYS A 36 34.804 -52.645 12.670 1.00 0.00 H new ATOM 596 N CYS A 37 34.936 -55.458 12.230 1.00 0.00 N ATOM 597 CA CYS A 37 35.972 -56.440 11.894 1.00 0.00 C ATOM 598 C CYS A 37 36.404 -56.235 10.439 1.00 0.00 C ATOM 599 O CYS A 37 35.935 -55.333 9.741 1.00 0.00 O ATOM 600 CB CYS A 37 35.424 -57.847 12.153 1.00 0.00 C ATOM 601 SG CYS A 37 36.760 -59.048 12.191 1.00 0.00 S ATOM 0 H CYS A 37 34.433 -55.066 11.434 1.00 0.00 H new ATOM 0 HA CYS A 37 36.856 -56.310 12.518 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.885 -57.865 13.100 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.710 -58.114 11.374 1.00 0.00 H new ATOM 606 N LYS A 38 37.324 -57.067 9.974 1.00 0.00 N ATOM 607 CA LYS A 38 37.884 -56.864 8.633 1.00 0.00 C ATOM 608 C LYS A 38 36.901 -57.365 7.566 1.00 0.00 C ATOM 609 O LYS A 38 36.219 -58.376 7.735 1.00 0.00 O ATOM 610 CB LYS A 38 39.220 -57.616 8.590 1.00 0.00 C ATOM 611 CG LYS A 38 40.070 -57.304 7.354 1.00 0.00 C ATOM 612 CD LYS A 38 40.642 -55.883 7.394 1.00 0.00 C ATOM 613 CE LYS A 38 41.503 -55.589 6.164 1.00 0.00 C ATOM 614 NZ LYS A 38 42.704 -56.443 6.138 1.00 0.00 N ATOM 0 H LYS A 38 37.695 -57.869 10.483 1.00 0.00 H new ATOM 0 HA LYS A 38 38.051 -55.808 8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 38 39.793 -57.370 9.484 1.00 0.00 H new ATOM 0 HB3 LYS A 38 39.023 -58.688 8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 38 40.887 -58.022 7.286 1.00 0.00 H new ATOM 0 HG3 LYS A 38 39.463 -57.425 6.457 1.00 0.00 H new ATOM 0 HD2 LYS A 38 39.826 -55.163 7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 38 41.240 -55.756 8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 38 40.917 -55.753 5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 38 41.799 -54.540 6.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 43.365 -56.090 5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 43.165 -56.423 7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 42.431 -57.420 5.908 1.00 0.00 H new