USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=6 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 Set 1.1: A 3 GLN : amide:sc= -0.0679 K(o=-0.97,f=-1.6) USER MOD Set 1.2: A 28 MET CE :methyl 180:sc= -0.898 (180deg=-0.898) USER MOD Single : A 2 LYS NZ :NH3+ -171:sc=-8.36e-05 (180deg=-0.084) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= 0.223 K(o=0.22,f=-1.3) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 153:sc= 0.984 (180deg=-0.794!) USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 1.13 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 2 30.959 -44.239 11.162 1.00 0.00 N ATOM 25 CA LYS A 2 31.762 -43.026 11.391 1.00 0.00 C ATOM 26 C LYS A 2 33.235 -43.347 11.680 1.00 0.00 C ATOM 27 O LYS A 2 34.136 -42.851 11.003 1.00 0.00 O ATOM 28 CB LYS A 2 31.156 -42.225 12.555 1.00 0.00 C ATOM 29 CG LYS A 2 29.681 -41.848 12.359 1.00 0.00 C ATOM 30 CD LYS A 2 29.469 -40.839 11.226 1.00 0.00 C ATOM 31 CE LYS A 2 28.001 -40.414 11.117 1.00 0.00 C ATOM 32 NZ LYS A 2 27.155 -41.546 10.697 1.00 0.00 N ATOM 0 HA LYS A 2 31.739 -42.433 10.476 1.00 0.00 H new ATOM 0 HB2 LYS A 2 31.252 -42.808 13.471 1.00 0.00 H new ATOM 0 HB3 LYS A 2 31.737 -41.313 12.695 1.00 0.00 H new ATOM 0 HG2 LYS A 2 29.106 -42.750 12.148 1.00 0.00 H new ATOM 0 HG3 LYS A 2 29.291 -41.431 13.288 1.00 0.00 H new ATOM 0 HD2 LYS A 2 30.091 -39.961 11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 2 29.793 -41.278 10.282 1.00 0.00 H new ATOM 0 HE2 LYS A 2 27.656 -40.034 12.079 1.00 0.00 H new ATOM 0 HE3 LYS A 2 27.907 -39.599 10.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 26.197 -41.203 10.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 27.562 -41.988 9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 27.108 -42.247 11.463 1.00 0.00 H new ATOM 46 N GLN A 3 33.489 -44.174 12.688 1.00 0.00 N ATOM 47 CA GLN A 3 34.871 -44.578 12.978 1.00 0.00 C ATOM 48 C GLN A 3 35.366 -45.665 12.015 1.00 0.00 C ATOM 49 O GLN A 3 36.483 -45.596 11.503 1.00 0.00 O ATOM 50 CB GLN A 3 34.956 -45.056 14.431 1.00 0.00 C ATOM 51 CG GLN A 3 36.413 -45.222 14.873 1.00 0.00 C ATOM 52 CD GLN A 3 36.515 -45.717 16.309 1.00 0.00 C ATOM 53 OE1 GLN A 3 36.338 -46.899 16.600 1.00 0.00 O ATOM 54 NE2 GLN A 3 36.811 -44.819 17.227 1.00 0.00 N ATOM 0 H GLN A 3 32.782 -44.572 13.306 1.00 0.00 H new ATOM 0 HA GLN A 3 35.522 -43.716 12.835 1.00 0.00 H new ATOM 0 HB2 GLN A 3 34.455 -44.340 15.082 1.00 0.00 H new ATOM 0 HB3 GLN A 3 34.431 -46.005 14.536 1.00 0.00 H new ATOM 0 HG2 GLN A 3 36.916 -45.925 14.209 1.00 0.00 H new ATOM 0 HG3 GLN A 3 36.932 -44.268 14.780 1.00 0.00 H new ATOM 0 HE21 GLN A 3 36.953 -43.845 16.960 1.00 0.00 H new ATOM 0 HE22 GLN A 3 36.898 -45.098 18.204 1.00 0.00 H new ATOM 63 N CYS A 4 34.557 -46.696 11.797 1.00 0.00 N ATOM 64 CA CYS A 4 35.054 -47.872 11.072 1.00 0.00 C ATOM 65 C CYS A 4 35.270 -47.659 9.570 1.00 0.00 C ATOM 66 O CYS A 4 36.126 -48.310 8.971 1.00 0.00 O ATOM 67 CB CYS A 4 34.111 -49.049 11.307 1.00 0.00 C ATOM 68 SG CYS A 4 34.964 -50.565 10.842 1.00 0.00 S ATOM 0 H CYS A 4 33.584 -46.749 12.098 1.00 0.00 H new ATOM 0 HA CYS A 4 36.045 -48.077 11.476 1.00 0.00 H new ATOM 0 HB2 CYS A 4 33.809 -49.090 12.354 1.00 0.00 H new ATOM 0 HB3 CYS A 4 33.202 -48.930 10.718 1.00 0.00 H new ATOM 73 N HIS A 5 34.511 -46.769 8.937 1.00 0.00 N ATOM 74 CA HIS A 5 34.726 -46.514 7.505 1.00 0.00 C ATOM 75 C HIS A 5 36.101 -45.888 7.219 1.00 0.00 C ATOM 76 O HIS A 5 36.672 -46.102 6.150 1.00 0.00 O ATOM 77 CB HIS A 5 33.591 -45.632 6.974 1.00 0.00 C ATOM 78 CG HIS A 5 33.573 -45.592 5.461 1.00 0.00 C ATOM 79 ND1 HIS A 5 34.146 -44.595 4.693 1.00 0.00 N ATOM 80 CD2 HIS A 5 32.988 -46.568 4.642 1.00 0.00 C ATOM 81 CE1 HIS A 5 33.859 -45.069 3.440 1.00 0.00 C ATOM 82 NE2 HIS A 5 33.164 -46.244 3.307 1.00 0.00 N ATOM 0 H HIS A 5 33.764 -46.225 9.370 1.00 0.00 H new ATOM 0 HA HIS A 5 34.717 -47.471 6.983 1.00 0.00 H new ATOM 0 HB2 HIS A 5 32.636 -46.009 7.339 1.00 0.00 H new ATOM 0 HB3 HIS A 5 33.704 -44.620 7.363 1.00 0.00 H new ATOM 0 HD2 HIS A 5 32.473 -47.447 5.001 1.00 0.00 H new ATOM 0 HE1 HIS A 5 34.177 -44.522 2.565 1.00 0.00 H new ATOM 0 HE2 HIS A 5 32.863 -46.737 2.466 1.00 0.00 H new ATOM 91 N LYS A 6 36.646 -45.132 8.169 1.00 0.00 N ATOM 92 CA LYS A 6 38.018 -44.622 8.020 1.00 0.00 C ATOM 93 C LYS A 6 39.028 -45.754 7.779 1.00 0.00 C ATOM 94 O LYS A 6 39.876 -45.660 6.891 1.00 0.00 O ATOM 95 CB LYS A 6 38.416 -43.830 9.271 1.00 0.00 C ATOM 96 CG LYS A 6 37.573 -42.566 9.462 1.00 0.00 C ATOM 97 CD LYS A 6 38.050 -41.785 10.688 1.00 0.00 C ATOM 98 CE LYS A 6 37.284 -40.471 10.845 1.00 0.00 C ATOM 99 NZ LYS A 6 37.764 -39.757 12.042 1.00 0.00 N ATOM 0 H LYS A 6 36.177 -44.861 9.033 1.00 0.00 H new ATOM 0 HA LYS A 6 38.036 -43.970 7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 6 38.311 -44.468 10.149 1.00 0.00 H new ATOM 0 HB3 LYS A 6 39.468 -43.553 9.202 1.00 0.00 H new ATOM 0 HG2 LYS A 6 37.642 -41.938 8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 6 36.524 -42.836 9.581 1.00 0.00 H new ATOM 0 HD2 LYS A 6 37.919 -42.394 11.583 1.00 0.00 H new ATOM 0 HD3 LYS A 6 39.116 -41.578 10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 6 37.422 -39.850 9.960 1.00 0.00 H new ATOM 0 HE3 LYS A 6 36.216 -40.670 10.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 37.241 -38.864 12.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 37.611 -40.348 12.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 38.779 -39.554 11.942 1.00 0.00 H new ATOM 113 N LYS A 7 38.939 -46.838 8.544 1.00 0.00 N ATOM 114 CA LYS A 7 39.797 -47.999 8.273 1.00 0.00 C ATOM 115 C LYS A 7 39.281 -48.802 7.067 1.00 0.00 C ATOM 116 O LYS A 7 40.056 -49.183 6.190 1.00 0.00 O ATOM 117 CB LYS A 7 39.886 -48.884 9.521 1.00 0.00 C ATOM 118 CG LYS A 7 40.543 -48.162 10.701 1.00 0.00 C ATOM 119 CD LYS A 7 40.828 -49.147 11.835 1.00 0.00 C ATOM 120 CE LYS A 7 41.493 -48.456 13.026 1.00 0.00 C ATOM 121 NZ LYS A 7 41.745 -49.438 14.095 1.00 0.00 N ATOM 0 H LYS A 7 38.303 -46.942 9.335 1.00 0.00 H new ATOM 0 HA LYS A 7 40.796 -47.641 8.024 1.00 0.00 H new ATOM 0 HB2 LYS A 7 38.885 -49.206 9.807 1.00 0.00 H new ATOM 0 HB3 LYS A 7 40.455 -49.783 9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 7 41.471 -47.692 10.377 1.00 0.00 H new ATOM 0 HG3 LYS A 7 39.890 -47.366 11.058 1.00 0.00 H new ATOM 0 HD2 LYS A 7 39.896 -49.612 12.157 1.00 0.00 H new ATOM 0 HD3 LYS A 7 41.473 -49.946 11.470 1.00 0.00 H new ATOM 0 HE2 LYS A 7 42.430 -47.995 12.714 1.00 0.00 H new ATOM 0 HE3 LYS A 7 40.853 -47.656 13.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 42.197 -48.964 14.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 40.844 -49.858 14.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 42.372 -50.187 13.738 1.00 0.00 H new ATOM 135 N GLY A 8 37.976 -49.055 7.007 1.00 0.00 N ATOM 136 CA GLY A 8 37.397 -49.688 5.814 1.00 0.00 C ATOM 137 C GLY A 8 36.744 -51.030 6.129 1.00 0.00 C ATOM 138 O GLY A 8 37.183 -52.072 5.645 1.00 0.00 O ATOM 0 H GLY A 8 37.309 -48.840 7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 8 36.656 -49.020 5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 8 38.178 -49.833 5.067 1.00 0.00 H new ATOM 142 N GLY A 9 35.681 -51.015 6.923 1.00 0.00 N ATOM 143 CA GLY A 9 35.018 -52.277 7.271 1.00 0.00 C ATOM 144 C GLY A 9 33.569 -52.056 7.696 1.00 0.00 C ATOM 145 O GLY A 9 33.165 -50.966 8.106 1.00 0.00 O ATOM 0 H GLY A 9 35.266 -50.177 7.329 1.00 0.00 H new ATOM 0 HA2 GLY A 9 35.047 -52.951 6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 9 35.564 -52.764 8.079 1.00 0.00 H new ATOM 149 N HIS A 10 32.780 -53.116 7.597 1.00 0.00 N ATOM 150 CA HIS A 10 31.356 -53.022 7.941 1.00 0.00 C ATOM 151 C HIS A 10 31.114 -53.644 9.322 1.00 0.00 C ATOM 152 O HIS A 10 31.901 -54.456 9.812 1.00 0.00 O ATOM 153 CB HIS A 10 30.592 -53.760 6.832 1.00 0.00 C ATOM 154 CG HIS A 10 29.089 -53.583 6.907 1.00 0.00 C ATOM 155 ND1 HIS A 10 28.230 -54.431 7.583 1.00 0.00 N ATOM 156 CD2 HIS A 10 28.367 -52.564 6.268 1.00 0.00 C ATOM 157 CE1 HIS A 10 27.032 -53.826 7.307 1.00 0.00 C ATOM 158 NE2 HIS A 10 27.012 -52.701 6.524 1.00 0.00 N ATOM 0 H HIS A 10 33.087 -54.038 7.288 1.00 0.00 H new ATOM 0 HA HIS A 10 31.014 -51.989 8.002 1.00 0.00 H new ATOM 0 HB2 HIS A 10 30.943 -53.405 5.863 1.00 0.00 H new ATOM 0 HB3 HIS A 10 30.827 -54.823 6.886 1.00 0.00 H new ATOM 0 HD1 HIS A 10 28.431 -55.268 8.131 1.00 0.00 H new ATOM 0 HD2 HIS A 10 28.805 -51.784 5.663 1.00 0.00 H new ATOM 0 HE1 HIS A 10 26.112 -54.232 7.702 1.00 0.00 H new ATOM 167 N CYS A 11 30.011 -53.273 9.962 1.00 0.00 N ATOM 168 CA CYS A 11 29.691 -53.874 11.262 1.00 0.00 C ATOM 169 C CYS A 11 29.073 -55.263 11.083 1.00 0.00 C ATOM 170 O CYS A 11 28.228 -55.497 10.218 1.00 0.00 O ATOM 171 CB CYS A 11 28.697 -52.987 12.008 1.00 0.00 C ATOM 172 SG CYS A 11 29.429 -51.402 12.447 1.00 0.00 S ATOM 0 H CYS A 11 29.341 -52.584 9.622 1.00 0.00 H new ATOM 0 HA CYS A 11 30.616 -53.966 11.831 1.00 0.00 H new ATOM 0 HB2 CYS A 11 27.816 -52.823 11.387 1.00 0.00 H new ATOM 0 HB3 CYS A 11 28.360 -53.496 12.911 1.00 0.00 H new ATOM 177 N PHE A 12 29.494 -56.186 11.935 1.00 0.00 N ATOM 178 CA PHE A 12 28.927 -57.541 11.913 1.00 0.00 C ATOM 179 C PHE A 12 28.654 -57.978 13.362 1.00 0.00 C ATOM 180 O PHE A 12 29.249 -57.438 14.297 1.00 0.00 O ATOM 181 CB PHE A 12 29.924 -58.507 11.259 1.00 0.00 C ATOM 182 CG PHE A 12 30.140 -58.239 9.780 1.00 0.00 C ATOM 183 CD1 PHE A 12 29.268 -58.729 8.866 1.00 0.00 C ATOM 184 CD2 PHE A 12 31.220 -57.533 9.365 1.00 0.00 C ATOM 185 CE1 PHE A 12 29.479 -58.520 7.545 1.00 0.00 C ATOM 186 CE2 PHE A 12 31.433 -57.329 8.045 1.00 0.00 C ATOM 187 CZ PHE A 12 30.564 -57.824 7.134 1.00 0.00 C ATOM 0 H PHE A 12 30.214 -56.034 12.642 1.00 0.00 H new ATOM 0 HA PHE A 12 28.000 -57.550 11.339 1.00 0.00 H new ATOM 0 HB2 PHE A 12 30.880 -58.436 11.777 1.00 0.00 H new ATOM 0 HB3 PHE A 12 29.567 -59.529 11.387 1.00 0.00 H new ATOM 0 HD1 PHE A 12 28.403 -59.287 9.192 1.00 0.00 H new ATOM 0 HD2 PHE A 12 31.912 -57.132 10.090 1.00 0.00 H new ATOM 0 HE1 PHE A 12 28.781 -58.909 6.819 1.00 0.00 H new ATOM 0 HE2 PHE A 12 32.298 -56.770 7.718 1.00 0.00 H new ATOM 0 HZ PHE A 12 30.736 -57.664 6.080 1.00 0.00 H new ATOM 197 N PRO A 13 27.779 -58.957 13.606 1.00 0.00 N ATOM 198 CA PRO A 13 27.455 -59.381 14.973 1.00 0.00 C ATOM 199 C PRO A 13 28.675 -59.875 15.758 1.00 0.00 C ATOM 200 O PRO A 13 29.559 -60.544 15.221 1.00 0.00 O ATOM 201 CB PRO A 13 26.456 -60.515 14.723 1.00 0.00 C ATOM 202 CG PRO A 13 25.836 -60.199 13.362 1.00 0.00 C ATOM 203 CD PRO A 13 26.982 -59.593 12.557 1.00 0.00 C ATOM 0 HA PRO A 13 27.071 -58.566 15.587 1.00 0.00 H new ATOM 0 HB2 PRO A 13 26.953 -61.485 14.715 1.00 0.00 H new ATOM 0 HB3 PRO A 13 25.697 -60.552 15.504 1.00 0.00 H new ATOM 0 HG2 PRO A 13 25.446 -61.098 12.884 1.00 0.00 H new ATOM 0 HG3 PRO A 13 25.004 -59.501 13.456 1.00 0.00 H new ATOM 0 HD2 PRO A 13 27.548 -60.352 12.016 1.00 0.00 H new ATOM 0 HD3 PRO A 13 26.628 -58.873 11.819 1.00 0.00 H new ATOM 211 N LYS A 14 28.728 -59.546 17.043 1.00 0.00 N ATOM 212 CA LYS A 14 29.890 -59.934 17.855 1.00 0.00 C ATOM 213 C LYS A 14 29.922 -61.437 18.152 1.00 0.00 C ATOM 214 O LYS A 14 30.973 -62.073 18.075 1.00 0.00 O ATOM 215 CB LYS A 14 29.864 -59.142 19.169 1.00 0.00 C ATOM 216 CG LYS A 14 31.103 -59.438 20.017 1.00 0.00 C ATOM 217 CD LYS A 14 31.066 -58.719 21.364 1.00 0.00 C ATOM 218 CE LYS A 14 32.288 -59.125 22.187 1.00 0.00 C ATOM 219 NZ LYS A 14 32.222 -58.520 23.529 1.00 0.00 N ATOM 0 H LYS A 14 28.005 -59.026 17.541 1.00 0.00 H new ATOM 0 HA LYS A 14 30.790 -59.704 17.285 1.00 0.00 H new ATOM 0 HB2 LYS A 14 29.814 -58.075 18.953 1.00 0.00 H new ATOM 0 HB3 LYS A 14 28.966 -59.395 19.732 1.00 0.00 H new ATOM 0 HG2 LYS A 14 31.179 -60.513 20.183 1.00 0.00 H new ATOM 0 HG3 LYS A 14 31.996 -59.136 19.470 1.00 0.00 H new ATOM 0 HD2 LYS A 14 31.057 -57.640 21.213 1.00 0.00 H new ATOM 0 HD3 LYS A 14 30.152 -58.973 21.900 1.00 0.00 H new ATOM 0 HE2 LYS A 14 32.334 -60.211 22.272 1.00 0.00 H new ATOM 0 HE3 LYS A 14 33.199 -58.806 21.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 33.058 -58.803 24.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 32.200 -57.484 23.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 31.362 -58.845 24.015 1.00 0.00 H new ATOM 233 N GLU A 15 28.780 -61.995 18.532 1.00 0.00 N ATOM 234 CA GLU A 15 28.737 -63.402 18.958 1.00 0.00 C ATOM 235 C GLU A 15 29.208 -64.399 17.888 1.00 0.00 C ATOM 236 O GLU A 15 29.717 -65.473 18.208 1.00 0.00 O ATOM 237 CB GLU A 15 27.310 -63.713 19.431 1.00 0.00 C ATOM 238 CG GLU A 15 26.274 -63.765 18.300 1.00 0.00 C ATOM 239 CD GLU A 15 24.855 -63.778 18.845 1.00 0.00 C ATOM 240 OE1 GLU A 15 24.352 -64.867 19.190 1.00 0.00 O ATOM 241 OE2 GLU A 15 24.233 -62.696 18.927 1.00 0.00 O ATOM 0 H GLU A 15 27.882 -61.512 18.557 1.00 0.00 H new ATOM 0 HA GLU A 15 29.450 -63.528 19.772 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.312 -64.670 19.952 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.005 -62.957 20.154 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.405 -62.904 17.645 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.440 -64.655 17.693 1.00 0.00 H new ATOM 248 N LYS A 16 29.038 -64.053 16.619 1.00 0.00 N ATOM 249 CA LYS A 16 29.445 -64.964 15.542 1.00 0.00 C ATOM 250 C LYS A 16 30.861 -64.626 15.065 1.00 0.00 C ATOM 251 O LYS A 16 31.379 -63.528 15.273 1.00 0.00 O ATOM 252 CB LYS A 16 28.427 -64.872 14.400 1.00 0.00 C ATOM 253 CG LYS A 16 27.015 -65.209 14.896 1.00 0.00 C ATOM 254 CD LYS A 16 26.012 -65.382 13.758 1.00 0.00 C ATOM 255 CE LYS A 16 25.819 -64.105 12.939 1.00 0.00 C ATOM 256 NZ LYS A 16 24.844 -64.352 11.863 1.00 0.00 N ATOM 0 H LYS A 16 28.631 -63.171 16.308 1.00 0.00 H new ATOM 0 HA LYS A 16 29.464 -65.990 15.910 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.438 -63.867 13.978 1.00 0.00 H new ATOM 0 HB3 LYS A 16 28.709 -65.557 13.600 1.00 0.00 H new ATOM 0 HG2 LYS A 16 27.051 -66.126 15.484 1.00 0.00 H new ATOM 0 HG3 LYS A 16 26.670 -64.417 15.561 1.00 0.00 H new ATOM 0 HD2 LYS A 16 26.350 -66.182 13.100 1.00 0.00 H new ATOM 0 HD3 LYS A 16 25.052 -65.693 14.170 1.00 0.00 H new ATOM 0 HE2 LYS A 16 25.469 -63.298 13.582 1.00 0.00 H new ATOM 0 HE3 LYS A 16 26.771 -63.785 12.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 24.713 -63.483 11.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 25.195 -65.110 11.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 23.934 -64.637 12.278 1.00 0.00 H new ATOM 270 N ILE A 17 31.508 -65.599 14.438 1.00 0.00 N ATOM 271 CA ILE A 17 32.926 -65.435 14.089 1.00 0.00 C ATOM 272 C ILE A 17 33.067 -64.674 12.766 1.00 0.00 C ATOM 273 O ILE A 17 32.437 -65.000 11.759 1.00 0.00 O ATOM 274 CB ILE A 17 33.581 -66.827 13.997 1.00 0.00 C ATOM 275 CG1 ILE A 17 33.568 -67.522 15.368 1.00 0.00 C ATOM 276 CG2 ILE A 17 35.023 -66.732 13.479 1.00 0.00 C ATOM 277 CD1 ILE A 17 33.991 -68.990 15.275 1.00 0.00 C ATOM 0 H ILE A 17 31.094 -66.490 14.164 1.00 0.00 H new ATOM 0 HA ILE A 17 33.430 -64.852 14.860 1.00 0.00 H new ATOM 0 HB ILE A 17 32.999 -67.418 13.290 1.00 0.00 H new ATOM 0 HG12 ILE A 17 34.238 -66.995 16.047 1.00 0.00 H new ATOM 0 HG13 ILE A 17 32.567 -67.460 15.796 1.00 0.00 H new ATOM 0 HG21 ILE A 17 35.457 -67.730 13.426 1.00 0.00 H new ATOM 0 HG22 ILE A 17 35.024 -66.282 12.486 1.00 0.00 H new ATOM 0 HG23 ILE A 17 35.613 -66.116 14.157 1.00 0.00 H new ATOM 0 HD11 ILE A 17 33.967 -69.439 16.268 1.00 0.00 H new ATOM 0 HD12 ILE A 17 33.306 -69.525 14.618 1.00 0.00 H new ATOM 0 HD13 ILE A 17 35.002 -69.052 14.873 1.00 0.00 H new ATOM 289 N CYS A 18 33.947 -63.679 12.761 1.00 0.00 N ATOM 290 CA CYS A 18 34.323 -63.042 11.494 1.00 0.00 C ATOM 291 C CYS A 18 35.517 -63.797 10.906 1.00 0.00 C ATOM 292 O CYS A 18 36.448 -64.176 11.617 1.00 0.00 O ATOM 293 CB CYS A 18 34.695 -61.580 11.744 1.00 0.00 C ATOM 294 SG CYS A 18 35.052 -60.778 10.171 1.00 0.00 S ATOM 0 H CYS A 18 34.404 -63.301 13.591 1.00 0.00 H new ATOM 0 HA CYS A 18 33.488 -63.073 10.794 1.00 0.00 H new ATOM 0 HB2 CYS A 18 33.877 -61.066 12.250 1.00 0.00 H new ATOM 0 HB3 CYS A 18 35.563 -61.521 12.401 1.00 0.00 H new ATOM 299 N LEU A 19 35.486 -64.029 9.601 1.00 0.00 N ATOM 300 CA LEU A 19 36.551 -64.817 8.968 1.00 0.00 C ATOM 301 C LEU A 19 37.306 -63.898 7.992 1.00 0.00 C ATOM 302 O LEU A 19 36.700 -63.379 7.054 1.00 0.00 O ATOM 303 CB LEU A 19 35.856 -65.996 8.268 1.00 0.00 C ATOM 304 CG LEU A 19 36.760 -67.156 7.824 1.00 0.00 C ATOM 305 CD1 LEU A 19 37.822 -66.724 6.811 1.00 0.00 C ATOM 306 CD2 LEU A 19 37.405 -67.838 9.032 1.00 0.00 C ATOM 0 H LEU A 19 34.759 -63.696 8.968 1.00 0.00 H new ATOM 0 HA LEU A 19 37.285 -65.209 9.672 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.096 -66.393 8.941 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.335 -65.613 7.390 1.00 0.00 H new ATOM 0 HG LEU A 19 36.118 -67.876 7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 19 38.431 -67.584 6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 19 37.335 -66.322 5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 19 38.457 -65.957 7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 19 38.040 -68.656 8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 19 38.008 -67.114 9.580 1.00 0.00 H new ATOM 0 HD23 LEU A 19 36.627 -68.231 9.686 1.00 0.00 H new ATOM 318 N PRO A 20 38.609 -63.646 8.167 1.00 0.00 N ATOM 319 CA PRO A 20 39.444 -64.348 9.151 1.00 0.00 C ATOM 320 C PRO A 20 39.349 -63.726 10.553 1.00 0.00 C ATOM 321 O PRO A 20 38.940 -62.573 10.697 1.00 0.00 O ATOM 322 CB PRO A 20 40.842 -64.150 8.557 1.00 0.00 C ATOM 323 CG PRO A 20 40.758 -62.823 7.802 1.00 0.00 C ATOM 324 CD PRO A 20 39.350 -62.823 7.212 1.00 0.00 C ATOM 0 HA PRO A 20 39.154 -65.388 9.300 1.00 0.00 H new ATOM 0 HB2 PRO A 20 41.602 -64.114 9.337 1.00 0.00 H new ATOM 0 HB3 PRO A 20 41.108 -64.969 7.889 1.00 0.00 H new ATOM 0 HG2 PRO A 20 40.912 -61.974 8.468 1.00 0.00 H new ATOM 0 HG3 PRO A 20 41.517 -62.758 7.023 1.00 0.00 H new ATOM 0 HD2 PRO A 20 38.940 -61.816 7.140 1.00 0.00 H new ATOM 0 HD3 PRO A 20 39.330 -63.248 6.208 1.00 0.00 H new ATOM 332 N PRO A 21 39.738 -64.445 11.611 1.00 0.00 N ATOM 333 CA PRO A 21 39.617 -63.928 12.979 1.00 0.00 C ATOM 334 C PRO A 21 40.522 -62.728 13.285 1.00 0.00 C ATOM 335 O PRO A 21 40.137 -61.804 14.000 1.00 0.00 O ATOM 336 CB PRO A 21 40.035 -65.137 13.824 1.00 0.00 C ATOM 337 CG PRO A 21 39.797 -66.351 12.931 1.00 0.00 C ATOM 338 CD PRO A 21 40.120 -65.856 11.525 1.00 0.00 C ATOM 0 HA PRO A 21 38.614 -63.547 13.172 1.00 0.00 H new ATOM 0 HB2 PRO A 21 41.081 -65.066 14.122 1.00 0.00 H new ATOM 0 HB3 PRO A 21 39.446 -65.200 14.739 1.00 0.00 H new ATOM 0 HG2 PRO A 21 40.438 -67.185 13.216 1.00 0.00 H new ATOM 0 HG3 PRO A 21 38.767 -66.701 13.002 1.00 0.00 H new ATOM 0 HD2 PRO A 21 41.175 -65.980 11.280 1.00 0.00 H new ATOM 0 HD3 PRO A 21 39.551 -66.388 10.763 1.00 0.00 H new ATOM 346 N SER A 22 41.747 -62.765 12.772 1.00 0.00 N ATOM 347 CA SER A 22 42.745 -61.748 13.136 1.00 0.00 C ATOM 348 C SER A 22 42.417 -60.342 12.618 1.00 0.00 C ATOM 349 O SER A 22 42.685 -59.354 13.302 1.00 0.00 O ATOM 350 CB SER A 22 44.107 -62.201 12.606 1.00 0.00 C ATOM 351 OG SER A 22 44.469 -63.448 13.187 1.00 0.00 O ATOM 0 H SER A 22 42.076 -63.472 12.114 1.00 0.00 H new ATOM 0 HA SER A 22 42.748 -61.665 14.223 1.00 0.00 H new ATOM 0 HB2 SER A 22 44.071 -62.294 11.521 1.00 0.00 H new ATOM 0 HB3 SER A 22 44.863 -61.451 12.837 1.00 0.00 H new ATOM 0 HG SER A 22 45.341 -63.730 12.840 1.00 0.00 H new ATOM 357 N SER A 23 41.853 -60.224 11.420 1.00 0.00 N ATOM 358 CA SER A 23 41.509 -58.891 10.906 1.00 0.00 C ATOM 359 C SER A 23 40.132 -58.473 11.431 1.00 0.00 C ATOM 360 O SER A 23 39.117 -58.568 10.738 1.00 0.00 O ATOM 361 CB SER A 23 41.535 -58.916 9.376 1.00 0.00 C ATOM 362 OG SER A 23 42.815 -59.324 8.908 1.00 0.00 O ATOM 0 H SER A 23 41.628 -61.002 10.800 1.00 0.00 H new ATOM 0 HA SER A 23 42.238 -58.159 11.252 1.00 0.00 H new ATOM 0 HB2 SER A 23 40.770 -59.598 9.004 1.00 0.00 H new ATOM 0 HB3 SER A 23 41.297 -57.927 8.986 1.00 0.00 H new ATOM 0 HG SER A 23 42.816 -59.337 7.928 1.00 0.00 H new ATOM 368 N ASP A 24 40.095 -58.027 12.681 1.00 0.00 N ATOM 369 CA ASP A 24 38.805 -57.770 13.330 1.00 0.00 C ATOM 370 C ASP A 24 38.903 -56.535 14.230 1.00 0.00 C ATOM 371 O ASP A 24 39.960 -56.184 14.757 1.00 0.00 O ATOM 372 CB ASP A 24 38.416 -59.031 14.112 1.00 0.00 C ATOM 373 CG ASP A 24 36.986 -58.988 14.630 1.00 0.00 C ATOM 374 OD1 ASP A 24 36.069 -58.663 13.845 1.00 0.00 O ATOM 375 OD2 ASP A 24 36.767 -59.293 15.822 1.00 0.00 O ATOM 0 H ASP A 24 40.916 -57.838 13.256 1.00 0.00 H new ATOM 0 HA ASP A 24 38.030 -57.556 12.594 1.00 0.00 H new ATOM 0 HB2 ASP A 24 38.538 -59.903 13.470 1.00 0.00 H new ATOM 0 HB3 ASP A 24 39.098 -59.156 14.953 1.00 0.00 H new ATOM 380 N PHE A 25 37.775 -55.857 14.379 1.00 0.00 N ATOM 381 CA PHE A 25 37.749 -54.598 15.131 1.00 0.00 C ATOM 382 C PHE A 25 36.682 -54.683 16.226 1.00 0.00 C ATOM 383 O PHE A 25 35.721 -55.446 16.131 1.00 0.00 O ATOM 384 CB PHE A 25 37.407 -53.468 14.155 1.00 0.00 C ATOM 385 CG PHE A 25 38.482 -53.194 13.114 1.00 0.00 C ATOM 386 CD1 PHE A 25 39.767 -52.965 13.479 1.00 0.00 C ATOM 387 CD2 PHE A 25 38.140 -53.156 11.804 1.00 0.00 C ATOM 388 CE1 PHE A 25 40.707 -52.718 12.536 1.00 0.00 C ATOM 389 CE2 PHE A 25 39.078 -52.901 10.863 1.00 0.00 C ATOM 390 CZ PHE A 25 40.363 -52.687 11.229 1.00 0.00 C ATOM 0 H PHE A 25 36.874 -56.146 13.998 1.00 0.00 H new ATOM 0 HA PHE A 25 38.716 -54.409 15.597 1.00 0.00 H new ATOM 0 HB2 PHE A 25 36.477 -53.715 13.643 1.00 0.00 H new ATOM 0 HB3 PHE A 25 37.226 -52.555 14.723 1.00 0.00 H new ATOM 0 HD1 PHE A 25 40.042 -52.980 14.523 1.00 0.00 H new ATOM 0 HD2 PHE A 25 37.115 -53.330 11.510 1.00 0.00 H new ATOM 0 HE1 PHE A 25 41.732 -52.546 12.828 1.00 0.00 H new ATOM 0 HE2 PHE A 25 38.801 -52.868 9.820 1.00 0.00 H new ATOM 0 HZ PHE A 25 41.113 -52.492 10.477 1.00 0.00 H new ATOM 400 N GLY A 26 36.850 -53.901 17.287 1.00 0.00 N ATOM 401 CA GLY A 26 35.965 -54.049 18.450 1.00 0.00 C ATOM 402 C GLY A 26 34.674 -53.250 18.300 1.00 0.00 C ATOM 403 O GLY A 26 34.064 -53.206 17.231 1.00 0.00 O ATOM 0 H GLY A 26 37.565 -53.179 17.372 1.00 0.00 H new ATOM 0 HA2 GLY A 26 35.724 -55.103 18.588 1.00 0.00 H new ATOM 0 HA3 GLY A 26 36.490 -53.722 19.347 1.00 0.00 H new ATOM 407 N LYS A 27 34.244 -52.610 19.382 1.00 0.00 N ATOM 408 CA LYS A 27 33.045 -51.764 19.297 1.00 0.00 C ATOM 409 C LYS A 27 33.431 -50.407 18.708 1.00 0.00 C ATOM 410 O LYS A 27 33.711 -49.442 19.420 1.00 0.00 O ATOM 411 CB LYS A 27 32.404 -51.590 20.679 1.00 0.00 C ATOM 412 CG LYS A 27 31.832 -52.903 21.220 1.00 0.00 C ATOM 413 CD LYS A 27 31.015 -52.646 22.487 1.00 0.00 C ATOM 414 CE LYS A 27 30.474 -53.953 23.063 1.00 0.00 C ATOM 415 NZ LYS A 27 29.653 -53.671 24.253 1.00 0.00 N ATOM 0 H LYS A 27 34.685 -52.653 20.301 1.00 0.00 H new ATOM 0 HA LYS A 27 32.311 -52.244 18.649 1.00 0.00 H new ATOM 0 HB2 LYS A 27 33.148 -51.205 21.377 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.609 -50.847 20.618 1.00 0.00 H new ATOM 0 HG2 LYS A 27 31.204 -53.373 20.463 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.643 -53.598 21.437 1.00 0.00 H new ATOM 0 HD2 LYS A 27 31.637 -52.147 23.230 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.187 -51.974 22.260 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.878 -54.472 22.313 1.00 0.00 H new ATOM 0 HE3 LYS A 27 31.299 -54.614 23.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 29.287 -54.563 24.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.235 -53.194 24.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 28.857 -53.057 23.988 1.00 0.00 H new ATOM 429 N MET A 28 33.449 -50.345 17.384 1.00 0.00 N ATOM 430 CA MET A 28 33.848 -49.109 16.706 1.00 0.00 C ATOM 431 C MET A 28 32.619 -48.194 16.598 1.00 0.00 C ATOM 432 O MET A 28 32.137 -47.666 17.600 1.00 0.00 O ATOM 433 CB MET A 28 34.448 -49.490 15.344 1.00 0.00 C ATOM 434 CG MET A 28 35.756 -50.276 15.454 1.00 0.00 C ATOM 435 SD MET A 28 36.447 -50.504 13.807 1.00 0.00 S ATOM 436 CE MET A 28 37.258 -48.911 13.603 1.00 0.00 C ATOM 0 H MET A 28 33.199 -51.116 16.764 1.00 0.00 H new ATOM 0 HA MET A 28 34.609 -48.556 17.257 1.00 0.00 H new ATOM 0 HB2 MET A 28 33.722 -50.084 14.789 1.00 0.00 H new ATOM 0 HB3 MET A 28 34.626 -48.582 14.767 1.00 0.00 H new ATOM 0 HG2 MET A 28 36.464 -49.742 16.088 1.00 0.00 H new ATOM 0 HG3 MET A 28 35.575 -51.243 15.923 1.00 0.00 H new ATOM 0 HE1 MET A 28 37.744 -48.873 12.628 1.00 0.00 H new ATOM 0 HE2 MET A 28 36.517 -48.114 13.670 1.00 0.00 H new ATOM 0 HE3 MET A 28 38.004 -48.780 14.386 1.00 0.00 H new ATOM 446 N ASP A 29 32.082 -48.026 15.395 1.00 0.00 N ATOM 447 CA ASP A 29 30.802 -47.324 15.248 1.00 0.00 C ATOM 448 C ASP A 29 29.739 -48.368 14.882 1.00 0.00 C ATOM 449 O ASP A 29 29.206 -48.399 13.771 1.00 0.00 O ATOM 450 CB ASP A 29 30.984 -46.233 14.188 1.00 0.00 C ATOM 451 CG ASP A 29 29.744 -45.366 14.013 1.00 0.00 C ATOM 452 OD1 ASP A 29 29.379 -44.639 14.960 1.00 0.00 O ATOM 453 OD2 ASP A 29 29.137 -45.394 12.920 1.00 0.00 O ATOM 0 H ASP A 29 32.497 -48.355 14.523 1.00 0.00 H new ATOM 0 HA ASP A 29 30.473 -46.832 16.163 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.827 -45.601 14.465 1.00 0.00 H new ATOM 0 HB3 ASP A 29 31.234 -46.698 13.234 1.00 0.00 H new ATOM 458 N CYS A 30 29.462 -49.256 15.831 1.00 0.00 N ATOM 459 CA CYS A 30 28.553 -50.377 15.565 1.00 0.00 C ATOM 460 C CYS A 30 27.461 -50.469 16.643 1.00 0.00 C ATOM 461 O CYS A 30 27.349 -49.629 17.537 1.00 0.00 O ATOM 462 CB CYS A 30 29.398 -51.655 15.527 1.00 0.00 C ATOM 463 SG CYS A 30 30.510 -51.638 14.111 1.00 0.00 S ATOM 0 H CYS A 30 29.843 -49.228 16.777 1.00 0.00 H new ATOM 0 HA CYS A 30 28.042 -50.233 14.613 1.00 0.00 H new ATOM 0 HB2 CYS A 30 29.974 -51.744 16.448 1.00 0.00 H new ATOM 0 HB3 CYS A 30 28.746 -52.527 15.474 1.00 0.00 H new ATOM 468 N ARG A 31 26.634 -51.505 16.550 1.00 0.00 N ATOM 469 CA ARG A 31 25.552 -51.696 17.523 1.00 0.00 C ATOM 470 C ARG A 31 26.100 -52.279 18.837 1.00 0.00 C ATOM 471 O ARG A 31 27.263 -52.671 18.935 1.00 0.00 O ATOM 472 CB ARG A 31 24.529 -52.613 16.833 1.00 0.00 C ATOM 473 CG ARG A 31 23.204 -52.740 17.586 1.00 0.00 C ATOM 474 CD ARG A 31 22.195 -53.555 16.777 1.00 0.00 C ATOM 475 NE ARG A 31 20.926 -53.637 17.512 1.00 0.00 N ATOM 476 CZ ARG A 31 19.880 -54.277 17.003 1.00 0.00 C ATOM 477 NH1 ARG A 31 19.938 -54.864 15.822 1.00 0.00 N ATOM 478 NH2 ARG A 31 18.758 -54.325 17.692 1.00 0.00 N ATOM 0 H ARG A 31 26.686 -52.219 15.823 1.00 0.00 H new ATOM 0 HA ARG A 31 25.077 -50.758 17.809 1.00 0.00 H new ATOM 0 HB2 ARG A 31 24.331 -52.231 15.831 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.966 -53.605 16.716 1.00 0.00 H new ATOM 0 HG2 ARG A 31 23.373 -53.218 18.551 1.00 0.00 H new ATOM 0 HG3 ARG A 31 22.799 -51.748 17.788 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.034 -53.091 15.804 1.00 0.00 H new ATOM 0 HD3 ARG A 31 22.585 -54.556 16.592 1.00 0.00 H new ATOM 0 HE ARG A 31 20.847 -53.195 18.428 1.00 0.00 H new ATOM 0 HH11 ARG A 31 20.801 -54.832 15.278 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.120 -55.349 15.453 1.00 0.00 H new ATOM 0 HH21 ARG A 31 18.700 -53.874 18.605 1.00 0.00 H new ATOM 0 HH22 ARG A 31 17.947 -54.813 17.312 1.00 0.00 H new ATOM 492 N TRP A 32 25.260 -52.320 19.865 1.00 0.00 N ATOM 493 CA TRP A 32 25.708 -52.764 21.195 1.00 0.00 C ATOM 494 C TRP A 32 26.395 -54.137 21.190 1.00 0.00 C ATOM 495 O TRP A 32 27.529 -54.268 21.651 1.00 0.00 O ATOM 496 CB TRP A 32 24.485 -52.729 22.121 1.00 0.00 C ATOM 497 CG TRP A 32 24.772 -53.240 23.521 1.00 0.00 C ATOM 498 CD1 TRP A 32 24.198 -54.369 24.114 1.00 0.00 C ATOM 499 CD2 TRP A 32 25.628 -52.718 24.458 1.00 0.00 C ATOM 500 NE1 TRP A 32 24.694 -54.557 25.412 1.00 0.00 N ATOM 501 CE2 TRP A 32 25.576 -53.500 25.581 1.00 0.00 C ATOM 502 CE3 TRP A 32 26.428 -51.631 24.390 1.00 0.00 C ATOM 503 CZ2 TRP A 32 26.327 -53.199 26.665 1.00 0.00 C ATOM 504 CZ3 TRP A 32 27.184 -51.331 25.479 1.00 0.00 C ATOM 505 CH2 TRP A 32 27.132 -52.104 26.604 1.00 0.00 C ATOM 0 H TRP A 32 24.276 -52.056 19.813 1.00 0.00 H new ATOM 0 HA TRP A 32 26.484 -52.088 21.555 1.00 0.00 H new ATOM 0 HB2 TRP A 32 24.116 -51.705 22.185 1.00 0.00 H new ATOM 0 HB3 TRP A 32 23.688 -53.328 21.680 1.00 0.00 H new ATOM 0 HD1 TRP A 32 23.471 -55.009 23.637 1.00 0.00 H new ATOM 0 HE1 TRP A 32 24.461 -55.296 26.075 1.00 0.00 H new ATOM 0 HE3 TRP A 32 26.465 -51.021 23.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 26.289 -53.811 27.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 27.835 -50.469 25.454 1.00 0.00 H new ATOM 0 HH2 TRP A 32 27.739 -51.842 27.458 1.00 0.00 H new ATOM 516 N ARG A 33 25.729 -55.163 20.677 1.00 0.00 N ATOM 517 CA ARG A 33 26.376 -56.485 20.605 1.00 0.00 C ATOM 518 C ARG A 33 27.045 -56.741 19.246 1.00 0.00 C ATOM 519 O ARG A 33 27.246 -57.893 18.862 1.00 0.00 O ATOM 520 CB ARG A 33 25.360 -57.602 20.876 1.00 0.00 C ATOM 521 CG ARG A 33 24.704 -57.497 22.257 1.00 0.00 C ATOM 522 CD ARG A 33 23.947 -58.772 22.649 1.00 0.00 C ATOM 523 NE ARG A 33 22.932 -59.147 21.650 1.00 0.00 N ATOM 524 CZ ARG A 33 23.127 -60.159 20.808 1.00 0.00 C ATOM 525 NH1 ARG A 33 24.247 -60.858 20.805 1.00 0.00 N ATOM 526 NH2 ARG A 33 22.180 -60.477 19.951 1.00 0.00 N ATOM 0 H ARG A 33 24.776 -55.121 20.315 1.00 0.00 H new ATOM 0 HA ARG A 33 27.151 -56.488 21.372 1.00 0.00 H new ATOM 0 HB2 ARG A 33 24.585 -57.574 20.110 1.00 0.00 H new ATOM 0 HB3 ARG A 33 25.859 -58.567 20.790 1.00 0.00 H new ATOM 0 HG2 ARG A 33 25.470 -57.290 23.004 1.00 0.00 H new ATOM 0 HG3 ARG A 33 24.015 -56.653 22.264 1.00 0.00 H new ATOM 0 HD2 ARG A 33 24.656 -59.591 22.769 1.00 0.00 H new ATOM 0 HD3 ARG A 33 23.465 -58.624 23.615 1.00 0.00 H new ATOM 0 HE ARG A 33 22.060 -58.619 21.602 1.00 0.00 H new ATOM 0 HH11 ARG A 33 24.994 -60.628 21.461 1.00 0.00 H new ATOM 0 HH12 ARG A 33 24.366 -61.628 20.147 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.307 -59.950 19.937 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.319 -61.251 19.301 1.00 0.00 H new ATOM 540 N TRP A 34 27.394 -55.699 18.498 1.00 0.00 N ATOM 541 CA TRP A 34 28.059 -55.907 17.206 1.00 0.00 C ATOM 542 C TRP A 34 29.460 -55.296 17.253 1.00 0.00 C ATOM 543 O TRP A 34 29.777 -54.427 18.067 1.00 0.00 O ATOM 544 CB TRP A 34 27.254 -55.262 16.069 1.00 0.00 C ATOM 545 CG TRP A 34 25.981 -55.999 15.684 1.00 0.00 C ATOM 546 CD1 TRP A 34 25.159 -56.801 16.488 1.00 0.00 C ATOM 547 CD2 TRP A 34 25.396 -56.005 14.440 1.00 0.00 C ATOM 548 NE1 TRP A 34 24.076 -57.302 15.755 1.00 0.00 N ATOM 549 CE2 TRP A 34 24.267 -56.776 14.487 1.00 0.00 C ATOM 550 CE3 TRP A 34 25.790 -55.400 13.296 1.00 0.00 C ATOM 551 CZ2 TRP A 34 23.506 -56.955 13.382 1.00 0.00 C ATOM 552 CZ3 TRP A 34 25.027 -55.582 12.187 1.00 0.00 C ATOM 553 CH2 TRP A 34 23.899 -56.349 12.229 1.00 0.00 C ATOM 0 H TRP A 34 27.235 -54.724 18.751 1.00 0.00 H new ATOM 0 HA TRP A 34 28.127 -56.978 17.016 1.00 0.00 H new ATOM 0 HB2 TRP A 34 26.993 -54.245 16.361 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.893 -55.187 15.189 1.00 0.00 H new ATOM 0 HD1 TRP A 34 25.337 -57.005 17.533 1.00 0.00 H new ATOM 0 HE1 TRP A 34 23.324 -57.911 16.078 1.00 0.00 H new ATOM 0 HE3 TRP A 34 26.682 -54.792 13.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 22.613 -57.561 13.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 25.317 -55.113 11.259 1.00 0.00 H new ATOM 0 HH2 TRP A 34 23.309 -56.477 11.333 1.00 0.00 H new ATOM 564 N LYS A 35 30.304 -55.762 16.348 1.00 0.00 N ATOM 565 CA LYS A 35 31.657 -55.208 16.235 1.00 0.00 C ATOM 566 C LYS A 35 31.962 -54.950 14.757 1.00 0.00 C ATOM 567 O LYS A 35 31.187 -55.316 13.873 1.00 0.00 O ATOM 568 CB LYS A 35 32.651 -56.190 16.868 1.00 0.00 C ATOM 569 CG LYS A 35 32.671 -57.556 16.172 1.00 0.00 C ATOM 570 CD LYS A 35 33.709 -58.476 16.819 1.00 0.00 C ATOM 571 CE LYS A 35 33.686 -59.891 16.234 1.00 0.00 C ATOM 572 NZ LYS A 35 33.936 -59.862 14.783 1.00 0.00 N ATOM 0 H LYS A 35 30.089 -56.509 15.688 1.00 0.00 H new ATOM 0 HA LYS A 35 31.741 -54.260 16.766 1.00 0.00 H new ATOM 0 HB2 LYS A 35 33.651 -55.757 16.835 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.397 -56.328 17.919 1.00 0.00 H new ATOM 0 HG2 LYS A 35 31.684 -58.015 16.231 1.00 0.00 H new ATOM 0 HG3 LYS A 35 32.900 -57.428 15.114 1.00 0.00 H new ATOM 0 HD2 LYS A 35 34.702 -58.048 16.686 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.525 -58.527 17.892 1.00 0.00 H new ATOM 0 HE2 LYS A 35 34.441 -60.505 16.725 1.00 0.00 H new ATOM 0 HE3 LYS A 35 32.720 -60.355 16.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.362 -60.763 14.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 33.038 -59.721 14.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.586 -59.082 14.558 1.00 0.00 H new ATOM 586 N CYS A 36 33.090 -54.316 14.462 1.00 0.00 N ATOM 587 CA CYS A 36 33.429 -54.074 13.055 1.00 0.00 C ATOM 588 C CYS A 36 34.439 -55.119 12.575 1.00 0.00 C ATOM 589 O CYS A 36 35.177 -55.709 13.363 1.00 0.00 O ATOM 590 CB CYS A 36 33.942 -52.641 12.903 1.00 0.00 C ATOM 591 SG CYS A 36 33.782 -52.137 11.183 1.00 0.00 S ATOM 0 H CYS A 36 33.765 -53.970 15.143 1.00 0.00 H new ATOM 0 HA CYS A 36 32.546 -54.177 12.424 1.00 0.00 H new ATOM 0 HB2 CYS A 36 33.375 -51.968 13.546 1.00 0.00 H new ATOM 0 HB3 CYS A 36 34.984 -52.579 13.217 1.00 0.00 H new ATOM 596 N CYS A 37 34.469 -55.375 11.274 1.00 0.00 N ATOM 597 CA CYS A 37 35.413 -56.372 10.754 1.00 0.00 C ATOM 598 C CYS A 37 35.842 -55.981 9.340 1.00 0.00 C ATOM 599 O CYS A 37 35.101 -55.334 8.600 1.00 0.00 O ATOM 600 CB CYS A 37 34.744 -57.748 10.770 1.00 0.00 C ATOM 601 SG CYS A 37 35.975 -59.032 10.492 1.00 0.00 S ATOM 0 H CYS A 37 33.876 -54.928 10.575 1.00 0.00 H new ATOM 0 HA CYS A 37 36.305 -56.412 11.379 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.247 -57.909 11.727 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.975 -57.797 9.999 1.00 0.00 H new ATOM 606 N LYS A 38 37.053 -56.367 8.957 1.00 0.00 N ATOM 607 CA LYS A 38 37.537 -56.019 7.615 1.00 0.00 C ATOM 608 C LYS A 38 38.170 -57.240 6.953 1.00 0.00 C ATOM 609 O LYS A 38 39.191 -57.766 7.398 1.00 0.00 O ATOM 610 CB LYS A 38 38.542 -54.865 7.710 1.00 0.00 C ATOM 611 CG LYS A 38 39.052 -54.444 6.327 1.00 0.00 C ATOM 612 CD LYS A 38 39.937 -53.200 6.409 1.00 0.00 C ATOM 613 CE LYS A 38 40.344 -52.747 5.005 1.00 0.00 C ATOM 614 NZ LYS A 38 41.178 -51.535 5.084 1.00 0.00 N ATOM 0 H LYS A 38 37.704 -56.904 9.530 1.00 0.00 H new ATOM 0 HA LYS A 38 36.697 -55.697 7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 38 38.072 -54.012 8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 38 39.384 -55.166 8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 38 39.616 -55.264 5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 38 38.205 -54.246 5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 38 39.402 -52.397 6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 38 40.826 -53.416 7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 38 40.893 -53.543 4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 38 39.455 -52.547 4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 41.490 -51.266 4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 40.624 -50.759 5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 42.009 -51.724 5.680 1.00 0.00 H new