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 Set 1.1: A 3 GLN : amide:sc= 0 K(o=-0.9,f=-1.9) USER MOD Set 1.2: A 28 MET CE :methyl 167:sc= -0.904 (180deg=-1.39) USER MOD Single : A 2 LYS NZ :NH3+ 165:sc= -0.0202 (180deg=-0.229) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.177) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= 0.0174 X(o=0.017,f=-0.18) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= -0.0157 (180deg=-0.205) 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 -58:sc= -0.0421 USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= -0.0012 (180deg=-0.0906) USER MOD Single : A 35 LYS NZ :NH3+ -152:sc= 1.03 (180deg=-0.413!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 2 31.149 -43.744 11.217 1.00 0.00 N ATOM 25 CA LYS A 2 32.174 -42.702 11.358 1.00 0.00 C ATOM 26 C LYS A 2 33.547 -43.308 11.670 1.00 0.00 C ATOM 27 O LYS A 2 34.519 -43.067 10.954 1.00 0.00 O ATOM 28 CB LYS A 2 31.761 -41.721 12.464 1.00 0.00 C ATOM 29 CG LYS A 2 30.484 -40.938 12.138 1.00 0.00 C ATOM 30 CD LYS A 2 30.689 -39.980 10.961 1.00 0.00 C ATOM 31 CE LYS A 2 29.437 -39.147 10.678 1.00 0.00 C ATOM 32 NZ LYS A 2 29.166 -38.226 11.795 1.00 0.00 N ATOM 0 HA LYS A 2 32.256 -42.169 10.411 1.00 0.00 H new ATOM 0 HB2 LYS A 2 31.613 -42.273 13.392 1.00 0.00 H new ATOM 0 HB3 LYS A 2 32.575 -41.017 12.638 1.00 0.00 H new ATOM 0 HG2 LYS A 2 29.680 -41.635 11.903 1.00 0.00 H new ATOM 0 HG3 LYS A 2 30.170 -40.373 13.016 1.00 0.00 H new ATOM 0 HD2 LYS A 2 31.526 -39.316 11.175 1.00 0.00 H new ATOM 0 HD3 LYS A 2 30.954 -40.550 10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 2 29.571 -38.581 9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 2 28.582 -39.805 10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 28.483 -37.503 11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 28.772 -38.759 12.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 30.051 -37.765 12.087 1.00 0.00 H new ATOM 46 N GLN A 3 33.648 -44.079 12.746 1.00 0.00 N ATOM 47 CA GLN A 3 34.965 -44.576 13.165 1.00 0.00 C ATOM 48 C GLN A 3 35.455 -45.742 12.300 1.00 0.00 C ATOM 49 O GLN A 3 36.602 -45.753 11.856 1.00 0.00 O ATOM 50 CB GLN A 3 34.897 -44.978 14.641 1.00 0.00 C ATOM 51 CG GLN A 3 36.289 -45.268 15.206 1.00 0.00 C ATOM 52 CD GLN A 3 36.208 -45.695 16.666 1.00 0.00 C ATOM 53 OE1 GLN A 3 35.630 -46.724 17.008 1.00 0.00 O ATOM 54 NE2 GLN A 3 36.792 -44.907 17.548 1.00 0.00 N ATOM 0 H GLN A 3 32.865 -44.370 13.332 1.00 0.00 H new ATOM 0 HA GLN A 3 35.692 -43.775 13.032 1.00 0.00 H new ATOM 0 HB2 GLN A 3 34.429 -44.179 15.216 1.00 0.00 H new ATOM 0 HB3 GLN A 3 34.267 -45.861 14.750 1.00 0.00 H new ATOM 0 HG2 GLN A 3 36.767 -46.053 14.620 1.00 0.00 H new ATOM 0 HG3 GLN A 3 36.914 -44.379 15.118 1.00 0.00 H new ATOM 0 HE21 GLN A 3 37.266 -44.058 17.239 1.00 0.00 H new ATOM 0 HE22 GLN A 3 36.770 -45.147 18.539 1.00 0.00 H new ATOM 63 N CYS A 4 34.618 -46.750 12.081 1.00 0.00 N ATOM 64 CA CYS A 4 35.111 -47.959 11.408 1.00 0.00 C ATOM 65 C CYS A 4 35.313 -47.775 9.900 1.00 0.00 C ATOM 66 O CYS A 4 36.194 -48.398 9.308 1.00 0.00 O ATOM 67 CB CYS A 4 34.163 -49.127 11.684 1.00 0.00 C ATOM 68 SG CYS A 4 35.017 -50.665 11.291 1.00 0.00 S ATOM 0 H CYS A 4 33.633 -46.764 12.345 1.00 0.00 H new ATOM 0 HA CYS A 4 36.097 -48.174 11.821 1.00 0.00 H new ATOM 0 HB2 CYS A 4 33.852 -49.123 12.729 1.00 0.00 H new ATOM 0 HB3 CYS A 4 33.259 -49.031 11.082 1.00 0.00 H new ATOM 73 N HIS A 5 34.518 -46.926 9.260 1.00 0.00 N ATOM 74 CA HIS A 5 34.714 -46.687 7.823 1.00 0.00 C ATOM 75 C HIS A 5 36.018 -45.931 7.540 1.00 0.00 C ATOM 76 O HIS A 5 36.621 -46.091 6.480 1.00 0.00 O ATOM 77 CB HIS A 5 33.512 -45.911 7.281 1.00 0.00 C ATOM 78 CG HIS A 5 33.488 -45.878 5.768 1.00 0.00 C ATOM 79 ND1 HIS A 5 33.987 -44.848 4.989 1.00 0.00 N ATOM 80 CD2 HIS A 5 32.941 -46.884 4.959 1.00 0.00 C ATOM 81 CE1 HIS A 5 33.692 -45.334 3.741 1.00 0.00 C ATOM 82 NE2 HIS A 5 33.067 -46.547 3.621 1.00 0.00 N ATOM 0 H HIS A 5 33.754 -46.404 9.689 1.00 0.00 H new ATOM 0 HA HIS A 5 34.793 -47.650 7.318 1.00 0.00 H new ATOM 0 HB2 HIS A 5 32.592 -46.367 7.647 1.00 0.00 H new ATOM 0 HB3 HIS A 5 33.537 -44.891 7.665 1.00 0.00 H new ATOM 0 HD2 HIS A 5 32.486 -47.792 5.326 1.00 0.00 H new ATOM 0 HE1 HIS A 5 33.950 -44.765 2.860 1.00 0.00 H new ATOM 0 HE2 HIS A 5 32.777 -47.056 2.786 1.00 0.00 H new ATOM 91 N LYS A 6 36.464 -45.106 8.482 1.00 0.00 N ATOM 92 CA LYS A 6 37.739 -44.402 8.299 1.00 0.00 C ATOM 93 C LYS A 6 38.910 -45.384 8.173 1.00 0.00 C ATOM 94 O LYS A 6 39.805 -45.197 7.349 1.00 0.00 O ATOM 95 CB LYS A 6 37.937 -43.451 9.485 1.00 0.00 C ATOM 96 CG LYS A 6 39.130 -42.508 9.301 1.00 0.00 C ATOM 97 CD LYS A 6 38.899 -41.530 8.146 1.00 0.00 C ATOM 98 CE LYS A 6 40.043 -40.524 8.009 1.00 0.00 C ATOM 99 NZ LYS A 6 40.067 -39.608 9.163 1.00 0.00 N ATOM 0 H LYS A 6 35.981 -44.908 9.358 1.00 0.00 H new ATOM 0 HA LYS A 6 37.711 -43.833 7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 6 37.032 -42.860 9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 6 38.080 -44.036 10.393 1.00 0.00 H new ATOM 0 HG2 LYS A 6 39.300 -41.951 10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 6 40.031 -43.092 9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 6 38.793 -42.087 7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 6 37.963 -40.995 8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 6 40.993 -41.053 7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 6 39.925 -39.954 7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 40.695 -38.805 8.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 39.106 -39.257 9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 40.417 -40.115 10.001 1.00 0.00 H new ATOM 113 N LYS A 7 38.901 -46.451 8.964 1.00 0.00 N ATOM 114 CA LYS A 7 39.886 -47.519 8.754 1.00 0.00 C ATOM 115 C LYS A 7 39.512 -48.356 7.526 1.00 0.00 C ATOM 116 O LYS A 7 40.361 -48.660 6.688 1.00 0.00 O ATOM 117 CB LYS A 7 39.968 -48.405 10.000 1.00 0.00 C ATOM 118 CG LYS A 7 40.497 -47.636 11.213 1.00 0.00 C ATOM 119 CD LYS A 7 40.753 -48.592 12.378 1.00 0.00 C ATOM 120 CE LYS A 7 41.291 -47.844 13.598 1.00 0.00 C ATOM 121 NZ LYS A 7 41.556 -48.793 14.692 1.00 0.00 N ATOM 0 H LYS A 7 38.249 -46.603 9.733 1.00 0.00 H new ATOM 0 HA LYS A 7 40.863 -47.069 8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 7 38.980 -48.805 10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 7 40.618 -49.256 9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 7 41.419 -47.118 10.950 1.00 0.00 H new ATOM 0 HG3 LYS A 7 39.777 -46.874 11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 7 39.828 -49.105 12.641 1.00 0.00 H new ATOM 0 HD3 LYS A 7 41.467 -49.358 12.074 1.00 0.00 H new ATOM 0 HE2 LYS A 7 42.206 -47.314 13.336 1.00 0.00 H new ATOM 0 HE3 LYS A 7 40.570 -47.094 13.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 41.921 -48.277 15.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 40.674 -49.280 14.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 42.260 -49.493 14.382 1.00 0.00 H new ATOM 135 N GLY A 8 38.243 -48.729 7.407 1.00 0.00 N ATOM 136 CA GLY A 8 37.808 -49.497 6.237 1.00 0.00 C ATOM 137 C GLY A 8 37.265 -50.851 6.670 1.00 0.00 C ATOM 138 O GLY A 8 38.005 -51.828 6.785 1.00 0.00 O ATOM 0 H GLY A 8 37.510 -48.521 8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 8 37.040 -48.945 5.696 1.00 0.00 H new ATOM 0 HA3 GLY A 8 38.644 -49.635 5.552 1.00 0.00 H new ATOM 142 N GLY A 9 35.966 -50.925 6.915 1.00 0.00 N ATOM 143 CA GLY A 9 35.402 -52.202 7.355 1.00 0.00 C ATOM 144 C GLY A 9 33.878 -52.211 7.349 1.00 0.00 C ATOM 145 O GLY A 9 33.212 -51.261 6.935 1.00 0.00 O ATOM 0 H GLY A 9 35.303 -50.156 6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 9 35.768 -52.998 6.706 1.00 0.00 H new ATOM 0 HA3 GLY A 9 35.758 -52.423 8.361 1.00 0.00 H new ATOM 149 N HIS A 10 33.328 -53.322 7.815 1.00 0.00 N ATOM 150 CA HIS A 10 31.870 -53.467 7.852 1.00 0.00 C ATOM 151 C HIS A 10 31.496 -54.140 9.174 1.00 0.00 C ATOM 152 O HIS A 10 32.228 -54.980 9.697 1.00 0.00 O ATOM 153 CB HIS A 10 31.439 -54.314 6.649 1.00 0.00 C ATOM 154 CG HIS A 10 29.943 -54.274 6.416 1.00 0.00 C ATOM 155 ND1 HIS A 10 29.013 -55.029 7.108 1.00 0.00 N ATOM 156 CD2 HIS A 10 29.307 -53.483 5.446 1.00 0.00 C ATOM 157 CE1 HIS A 10 27.864 -54.617 6.487 1.00 0.00 C ATOM 158 NE2 HIS A 10 27.939 -53.690 5.479 1.00 0.00 N ATOM 0 H HIS A 10 33.851 -54.124 8.167 1.00 0.00 H new ATOM 0 HA HIS A 10 31.364 -52.503 7.794 1.00 0.00 H new ATOM 0 HB2 HIS A 10 31.952 -53.958 5.756 1.00 0.00 H new ATOM 0 HB3 HIS A 10 31.751 -55.347 6.805 1.00 0.00 H new ATOM 0 HD1 HIS A 10 29.145 -55.700 7.864 1.00 0.00 H new ATOM 0 HD2 HIS A 10 29.813 -52.809 4.771 1.00 0.00 H new ATOM 0 HE1 HIS A 10 26.908 -55.018 6.788 1.00 0.00 H new ATOM 167 N CYS A 11 30.358 -53.761 9.736 1.00 0.00 N ATOM 168 CA CYS A 11 29.991 -54.300 11.049 1.00 0.00 C ATOM 169 C CYS A 11 29.161 -55.575 10.938 1.00 0.00 C ATOM 170 O CYS A 11 28.325 -55.748 10.051 1.00 0.00 O ATOM 171 CB CYS A 11 29.236 -53.237 11.840 1.00 0.00 C ATOM 172 SG CYS A 11 30.387 -51.970 12.391 1.00 0.00 S ATOM 0 H CYS A 11 29.690 -53.107 9.327 1.00 0.00 H new ATOM 0 HA CYS A 11 30.909 -54.566 11.572 1.00 0.00 H new ATOM 0 HB2 CYS A 11 28.458 -52.792 11.220 1.00 0.00 H new ATOM 0 HB3 CYS A 11 28.740 -53.691 12.698 1.00 0.00 H new ATOM 177 N PHE A 12 29.415 -56.474 11.877 1.00 0.00 N ATOM 178 CA PHE A 12 28.703 -57.755 11.899 1.00 0.00 C ATOM 179 C PHE A 12 28.408 -58.119 13.359 1.00 0.00 C ATOM 180 O PHE A 12 29.092 -57.650 14.270 1.00 0.00 O ATOM 181 CB PHE A 12 29.590 -58.848 11.288 1.00 0.00 C ATOM 182 CG PHE A 12 30.033 -58.535 9.872 1.00 0.00 C ATOM 183 CD1 PHE A 12 29.165 -58.641 8.841 1.00 0.00 C ATOM 184 CD2 PHE A 12 31.308 -58.154 9.641 1.00 0.00 C ATOM 185 CE1 PHE A 12 29.574 -58.369 7.583 1.00 0.00 C ATOM 186 CE2 PHE A 12 31.716 -57.879 8.384 1.00 0.00 C ATOM 187 CZ PHE A 12 30.850 -57.990 7.355 1.00 0.00 C ATOM 0 H PHE A 12 30.097 -56.349 12.625 1.00 0.00 H new ATOM 0 HA PHE A 12 27.779 -57.675 11.327 1.00 0.00 H new ATOM 0 HB2 PHE A 12 30.471 -58.985 11.915 1.00 0.00 H new ATOM 0 HB3 PHE A 12 29.046 -59.793 11.291 1.00 0.00 H new ATOM 0 HD1 PHE A 12 28.144 -58.943 9.023 1.00 0.00 H new ATOM 0 HD2 PHE A 12 32.003 -58.069 10.464 1.00 0.00 H new ATOM 0 HE1 PHE A 12 28.881 -58.455 6.759 1.00 0.00 H new ATOM 0 HE2 PHE A 12 32.735 -57.570 8.202 1.00 0.00 H new ATOM 0 HZ PHE A 12 31.178 -57.776 6.348 1.00 0.00 H new ATOM 197 N PRO A 13 27.430 -58.983 13.626 1.00 0.00 N ATOM 198 CA PRO A 13 27.165 -59.453 14.988 1.00 0.00 C ATOM 199 C PRO A 13 28.392 -60.059 15.674 1.00 0.00 C ATOM 200 O PRO A 13 29.388 -60.411 15.042 1.00 0.00 O ATOM 201 CB PRO A 13 26.092 -60.514 14.741 1.00 0.00 C ATOM 202 CG PRO A 13 25.395 -60.068 13.457 1.00 0.00 C ATOM 203 CD PRO A 13 26.522 -59.495 12.602 1.00 0.00 C ATOM 0 HA PRO A 13 26.871 -58.648 15.661 1.00 0.00 H new ATOM 0 HB2 PRO A 13 26.533 -61.505 14.629 1.00 0.00 H new ATOM 0 HB3 PRO A 13 25.391 -60.570 15.574 1.00 0.00 H new ATOM 0 HG2 PRO A 13 24.903 -60.904 12.960 1.00 0.00 H new ATOM 0 HG3 PRO A 13 24.628 -59.320 13.659 1.00 0.00 H new ATOM 0 HD2 PRO A 13 26.993 -60.256 11.979 1.00 0.00 H new ATOM 0 HD3 PRO A 13 26.171 -58.708 11.934 1.00 0.00 H new ATOM 211 N LYS A 14 28.312 -60.199 16.989 1.00 0.00 N ATOM 212 CA LYS A 14 29.435 -60.785 17.735 1.00 0.00 C ATOM 213 C LYS A 14 29.621 -62.287 17.476 1.00 0.00 C ATOM 214 O LYS A 14 30.704 -62.832 17.686 1.00 0.00 O ATOM 215 CB LYS A 14 29.218 -60.511 19.226 1.00 0.00 C ATOM 216 CG LYS A 14 28.008 -61.265 19.781 1.00 0.00 C ATOM 217 CD LYS A 14 27.700 -60.812 21.206 1.00 0.00 C ATOM 218 CE LYS A 14 26.528 -61.593 21.802 1.00 0.00 C ATOM 219 NZ LYS A 14 25.294 -61.352 21.034 1.00 0.00 N ATOM 0 H LYS A 14 27.509 -59.926 17.556 1.00 0.00 H new ATOM 0 HA LYS A 14 30.355 -60.315 17.386 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.110 -60.801 19.781 1.00 0.00 H new ATOM 0 HB3 LYS A 14 29.080 -59.441 19.381 1.00 0.00 H new ATOM 0 HG2 LYS A 14 27.141 -61.092 19.143 1.00 0.00 H new ATOM 0 HG3 LYS A 14 28.204 -62.337 19.769 1.00 0.00 H new ATOM 0 HD2 LYS A 14 28.583 -60.947 21.830 1.00 0.00 H new ATOM 0 HD3 LYS A 14 27.467 -59.747 21.208 1.00 0.00 H new ATOM 0 HE2 LYS A 14 26.758 -62.658 21.804 1.00 0.00 H new ATOM 0 HE3 LYS A 14 26.379 -61.298 22.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 24.476 -61.705 21.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 25.183 -60.332 20.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 25.350 -61.849 20.122 1.00 0.00 H new ATOM 233 N GLU A 15 28.572 -62.973 17.036 1.00 0.00 N ATOM 234 CA GLU A 15 28.668 -64.426 16.840 1.00 0.00 C ATOM 235 C GLU A 15 29.343 -64.819 15.520 1.00 0.00 C ATOM 236 O GLU A 15 29.882 -65.919 15.392 1.00 0.00 O ATOM 237 CB GLU A 15 27.261 -65.029 16.933 1.00 0.00 C ATOM 238 CG GLU A 15 26.301 -64.514 15.854 1.00 0.00 C ATOM 239 CD GLU A 15 24.926 -65.144 15.997 1.00 0.00 C ATOM 240 OE1 GLU A 15 24.181 -64.759 16.925 1.00 0.00 O ATOM 241 OE2 GLU A 15 24.578 -66.022 15.180 1.00 0.00 O ATOM 0 H GLU A 15 27.664 -62.565 16.811 1.00 0.00 H new ATOM 0 HA GLU A 15 29.308 -64.826 17.626 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.334 -66.114 16.855 1.00 0.00 H new ATOM 0 HB3 GLU A 15 26.844 -64.807 17.915 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.217 -63.430 15.926 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.706 -64.737 14.867 1.00 0.00 H new ATOM 248 N LYS A 16 29.312 -63.946 14.522 1.00 0.00 N ATOM 249 CA LYS A 16 29.886 -64.307 13.220 1.00 0.00 C ATOM 250 C LYS A 16 31.414 -64.286 13.275 1.00 0.00 C ATOM 251 O LYS A 16 32.032 -63.442 13.926 1.00 0.00 O ATOM 252 CB LYS A 16 29.389 -63.334 12.144 1.00 0.00 C ATOM 253 CG LYS A 16 27.864 -63.348 11.978 1.00 0.00 C ATOM 254 CD LYS A 16 27.311 -64.713 11.557 1.00 0.00 C ATOM 255 CE LYS A 16 27.804 -65.129 10.170 1.00 0.00 C ATOM 256 NZ LYS A 16 27.180 -66.407 9.788 1.00 0.00 N ATOM 0 H LYS A 16 28.910 -63.010 14.577 1.00 0.00 H new ATOM 0 HA LYS A 16 29.565 -65.318 12.970 1.00 0.00 H new ATOM 0 HB2 LYS A 16 29.711 -62.324 12.399 1.00 0.00 H new ATOM 0 HB3 LYS A 16 29.855 -63.587 11.191 1.00 0.00 H new ATOM 0 HG2 LYS A 16 27.401 -63.051 12.919 1.00 0.00 H new ATOM 0 HG3 LYS A 16 27.580 -62.604 11.234 1.00 0.00 H new ATOM 0 HD2 LYS A 16 27.608 -65.465 12.288 1.00 0.00 H new ATOM 0 HD3 LYS A 16 26.222 -64.679 11.559 1.00 0.00 H new ATOM 0 HE2 LYS A 16 27.557 -64.359 9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 16 28.889 -65.229 10.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 27.516 -66.689 8.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 27.437 -67.139 10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 26.146 -66.296 9.769 1.00 0.00 H new ATOM 270 N ILE A 17 32.033 -65.225 12.574 1.00 0.00 N ATOM 271 CA ILE A 17 33.499 -65.294 12.581 1.00 0.00 C ATOM 272 C ILE A 17 34.066 -64.289 11.580 1.00 0.00 C ATOM 273 O ILE A 17 33.671 -64.237 10.415 1.00 0.00 O ATOM 274 CB ILE A 17 33.952 -66.717 12.222 1.00 0.00 C ATOM 275 CG1 ILE A 17 33.499 -67.703 13.307 1.00 0.00 C ATOM 276 CG2 ILE A 17 35.476 -66.780 12.056 1.00 0.00 C ATOM 277 CD1 ILE A 17 33.769 -69.153 12.907 1.00 0.00 C ATOM 0 H ILE A 17 31.566 -65.933 12.007 1.00 0.00 H new ATOM 0 HA ILE A 17 33.869 -65.047 13.576 1.00 0.00 H new ATOM 0 HB ILE A 17 33.493 -66.994 11.273 1.00 0.00 H new ATOM 0 HG12 ILE A 17 34.018 -67.481 14.239 1.00 0.00 H new ATOM 0 HG13 ILE A 17 32.434 -67.571 13.496 1.00 0.00 H new ATOM 0 HG21 ILE A 17 35.773 -67.798 11.802 1.00 0.00 H new ATOM 0 HG22 ILE A 17 35.783 -66.103 11.259 1.00 0.00 H new ATOM 0 HG23 ILE A 17 35.956 -66.484 12.989 1.00 0.00 H new ATOM 0 HD11 ILE A 17 33.434 -69.818 13.703 1.00 0.00 H new ATOM 0 HD12 ILE A 17 33.229 -69.384 11.989 1.00 0.00 H new ATOM 0 HD13 ILE A 17 34.838 -69.292 12.744 1.00 0.00 H new ATOM 289 N CYS A 18 35.044 -63.519 12.034 1.00 0.00 N ATOM 290 CA CYS A 18 35.801 -62.685 11.099 1.00 0.00 C ATOM 291 C CYS A 18 37.099 -63.414 10.757 1.00 0.00 C ATOM 292 O CYS A 18 38.045 -63.460 11.543 1.00 0.00 O ATOM 293 CB CYS A 18 36.069 -61.318 11.729 1.00 0.00 C ATOM 294 SG CYS A 18 34.515 -60.417 11.865 1.00 0.00 S ATOM 0 H CYS A 18 35.329 -63.451 13.011 1.00 0.00 H new ATOM 0 HA CYS A 18 35.237 -62.515 10.182 1.00 0.00 H new ATOM 0 HB2 CYS A 18 36.521 -61.440 12.714 1.00 0.00 H new ATOM 0 HB3 CYS A 18 36.778 -60.756 11.121 1.00 0.00 H new ATOM 299 N LEU A 19 37.125 -64.007 9.573 1.00 0.00 N ATOM 300 CA LEU A 19 38.319 -64.736 9.131 1.00 0.00 C ATOM 301 C LEU A 19 38.953 -63.929 7.988 1.00 0.00 C ATOM 302 O LEU A 19 38.236 -63.475 7.095 1.00 0.00 O ATOM 303 CB LEU A 19 37.851 -66.118 8.659 1.00 0.00 C ATOM 304 CG LEU A 19 39.006 -67.068 8.334 1.00 0.00 C ATOM 305 CD1 LEU A 19 39.632 -67.588 9.628 1.00 0.00 C ATOM 306 CD2 LEU A 19 38.489 -68.251 7.519 1.00 0.00 C ATOM 0 H LEU A 19 36.352 -64.003 8.907 1.00 0.00 H new ATOM 0 HA LEU A 19 39.061 -64.863 9.919 1.00 0.00 H new ATOM 0 HB2 LEU A 19 37.227 -66.567 9.432 1.00 0.00 H new ATOM 0 HB3 LEU A 19 37.226 -66.000 7.774 1.00 0.00 H new ATOM 0 HG LEU A 19 39.756 -66.526 7.758 1.00 0.00 H new ATOM 0 HD11 LEU A 19 40.453 -68.264 9.389 1.00 0.00 H new ATOM 0 HD12 LEU A 19 40.010 -66.749 10.212 1.00 0.00 H new ATOM 0 HD13 LEU A 19 38.879 -68.123 10.207 1.00 0.00 H new ATOM 0 HD21 LEU A 19 39.315 -68.924 7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 19 37.733 -68.786 8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 19 38.049 -67.888 6.590 1.00 0.00 H new ATOM 318 N PRO A 20 40.266 -63.695 7.967 1.00 0.00 N ATOM 319 CA PRO A 20 41.209 -64.265 8.935 1.00 0.00 C ATOM 320 C PRO A 20 41.064 -63.642 10.327 1.00 0.00 C ATOM 321 O PRO A 20 40.437 -62.596 10.492 1.00 0.00 O ATOM 322 CB PRO A 20 42.555 -63.923 8.287 1.00 0.00 C ATOM 323 CG PRO A 20 42.289 -62.681 7.434 1.00 0.00 C ATOM 324 CD PRO A 20 40.868 -62.881 6.914 1.00 0.00 C ATOM 0 HA PRO A 20 41.062 -65.330 9.117 1.00 0.00 H new ATOM 0 HB2 PRO A 20 43.316 -63.726 9.042 1.00 0.00 H new ATOM 0 HB3 PRO A 20 42.919 -64.749 7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 20 42.373 -61.768 8.023 1.00 0.00 H new ATOM 0 HG3 PRO A 20 43.005 -62.599 6.616 1.00 0.00 H new ATOM 0 HD2 PRO A 20 40.345 -61.934 6.783 1.00 0.00 H new ATOM 0 HD3 PRO A 20 40.855 -63.388 5.949 1.00 0.00 H new ATOM 332 N PRO A 21 41.605 -64.286 11.360 1.00 0.00 N ATOM 333 CA PRO A 21 41.366 -63.861 12.741 1.00 0.00 C ATOM 334 C PRO A 21 42.042 -62.534 13.100 1.00 0.00 C ATOM 335 O PRO A 21 41.588 -61.827 13.999 1.00 0.00 O ATOM 336 CB PRO A 21 41.940 -65.040 13.532 1.00 0.00 C ATOM 337 CG PRO A 21 42.976 -65.676 12.604 1.00 0.00 C ATOM 338 CD PRO A 21 42.382 -65.515 11.209 1.00 0.00 C ATOM 0 HA PRO A 21 40.316 -63.653 12.947 1.00 0.00 H new ATOM 0 HB2 PRO A 21 42.398 -64.705 14.463 1.00 0.00 H new ATOM 0 HB3 PRO A 21 41.160 -65.753 13.799 1.00 0.00 H new ATOM 0 HG2 PRO A 21 43.942 -65.177 12.685 1.00 0.00 H new ATOM 0 HG3 PRO A 21 43.138 -66.726 12.849 1.00 0.00 H new ATOM 0 HD2 PRO A 21 43.153 -65.421 10.444 1.00 0.00 H new ATOM 0 HD3 PRO A 21 41.757 -66.363 10.929 1.00 0.00 H new ATOM 346 N SER A 22 43.109 -62.164 12.400 1.00 0.00 N ATOM 347 CA SER A 22 43.709 -60.844 12.635 1.00 0.00 C ATOM 348 C SER A 22 43.032 -59.783 11.759 1.00 0.00 C ATOM 349 O SER A 22 43.680 -58.982 11.084 1.00 0.00 O ATOM 350 CB SER A 22 45.212 -60.927 12.361 1.00 0.00 C ATOM 351 OG SER A 22 45.449 -61.267 11.001 1.00 0.00 O ATOM 0 H SER A 22 43.568 -62.732 11.688 1.00 0.00 H new ATOM 0 HA SER A 22 43.558 -60.547 13.673 1.00 0.00 H new ATOM 0 HB2 SER A 22 45.684 -59.972 12.591 1.00 0.00 H new ATOM 0 HB3 SER A 22 45.667 -61.672 13.014 1.00 0.00 H new ATOM 0 HG SER A 22 46.414 -61.315 10.839 1.00 0.00 H new ATOM 357 N SER A 23 41.706 -59.768 11.787 1.00 0.00 N ATOM 358 CA SER A 23 40.952 -58.779 11.009 1.00 0.00 C ATOM 359 C SER A 23 39.630 -58.494 11.725 1.00 0.00 C ATOM 360 O SER A 23 38.548 -58.569 11.141 1.00 0.00 O ATOM 361 CB SER A 23 40.711 -59.349 9.609 1.00 0.00 C ATOM 362 OG SER A 23 39.911 -58.457 8.846 1.00 0.00 O ATOM 0 H SER A 23 41.133 -60.415 12.328 1.00 0.00 H new ATOM 0 HA SER A 23 41.504 -57.843 10.918 1.00 0.00 H new ATOM 0 HB2 SER A 23 41.664 -59.514 9.107 1.00 0.00 H new ATOM 0 HB3 SER A 23 40.218 -60.318 9.683 1.00 0.00 H new ATOM 0 HG SER A 23 39.063 -58.299 9.311 1.00 0.00 H new ATOM 368 N ASP A 24 39.715 -58.180 13.012 1.00 0.00 N ATOM 369 CA ASP A 24 38.500 -58.070 13.822 1.00 0.00 C ATOM 370 C ASP A 24 38.638 -56.887 14.782 1.00 0.00 C ATOM 371 O ASP A 24 39.628 -56.751 15.502 1.00 0.00 O ATOM 372 CB ASP A 24 38.322 -59.390 14.580 1.00 0.00 C ATOM 373 CG ASP A 24 36.990 -59.469 15.311 1.00 0.00 C ATOM 374 OD1 ASP A 24 35.941 -59.207 14.685 1.00 0.00 O ATOM 375 OD2 ASP A 24 36.980 -59.812 16.514 1.00 0.00 O ATOM 0 H ASP A 24 40.587 -58.000 13.511 1.00 0.00 H new ATOM 0 HA ASP A 24 37.622 -57.892 13.201 1.00 0.00 H new ATOM 0 HB2 ASP A 24 38.397 -60.221 13.878 1.00 0.00 H new ATOM 0 HB3 ASP A 24 39.134 -59.505 15.298 1.00 0.00 H new ATOM 380 N PHE A 25 37.633 -56.024 14.788 1.00 0.00 N ATOM 381 CA PHE A 25 37.650 -54.871 15.696 1.00 0.00 C ATOM 382 C PHE A 25 36.487 -55.004 16.680 1.00 0.00 C ATOM 383 O PHE A 25 35.538 -55.756 16.460 1.00 0.00 O ATOM 384 CB PHE A 25 37.503 -53.576 14.891 1.00 0.00 C ATOM 385 CG PHE A 25 38.622 -53.365 13.889 1.00 0.00 C ATOM 386 CD1 PHE A 25 39.889 -53.165 14.314 1.00 0.00 C ATOM 387 CD2 PHE A 25 38.347 -53.354 12.566 1.00 0.00 C ATOM 388 CE1 PHE A 25 40.879 -52.961 13.418 1.00 0.00 C ATOM 389 CE2 PHE A 25 39.336 -53.146 11.670 1.00 0.00 C ATOM 390 CZ PHE A 25 40.602 -52.951 12.096 1.00 0.00 C ATOM 0 H PHE A 25 36.809 -56.091 14.191 1.00 0.00 H new ATOM 0 HA PHE A 25 38.594 -54.841 16.240 1.00 0.00 H new ATOM 0 HB2 PHE A 25 36.549 -53.590 14.363 1.00 0.00 H new ATOM 0 HB3 PHE A 25 37.475 -52.730 15.578 1.00 0.00 H new ATOM 0 HD1 PHE A 25 40.110 -53.168 15.371 1.00 0.00 H new ATOM 0 HD2 PHE A 25 37.335 -53.512 12.225 1.00 0.00 H new ATOM 0 HE1 PHE A 25 41.892 -52.806 13.759 1.00 0.00 H new ATOM 0 HE2 PHE A 25 39.114 -53.136 10.613 1.00 0.00 H new ATOM 0 HZ PHE A 25 41.393 -52.787 11.380 1.00 0.00 H new ATOM 400 N GLY A 26 36.549 -54.273 17.784 1.00 0.00 N ATOM 401 CA GLY A 26 35.511 -54.431 18.806 1.00 0.00 C ATOM 402 C GLY A 26 34.271 -53.609 18.476 1.00 0.00 C ATOM 403 O GLY A 26 33.897 -53.438 17.315 1.00 0.00 O ATOM 0 H GLY A 26 37.275 -53.589 17.996 1.00 0.00 H new ATOM 0 HA2 GLY A 26 35.239 -55.483 18.890 1.00 0.00 H new ATOM 0 HA3 GLY A 26 35.904 -54.125 19.775 1.00 0.00 H new ATOM 407 N LYS A 27 33.617 -53.094 19.507 1.00 0.00 N ATOM 408 CA LYS A 27 32.438 -52.258 19.264 1.00 0.00 C ATOM 409 C LYS A 27 32.898 -50.857 18.854 1.00 0.00 C ATOM 410 O LYS A 27 33.336 -50.045 19.668 1.00 0.00 O ATOM 411 CB LYS A 27 31.516 -52.266 20.490 1.00 0.00 C ATOM 412 CG LYS A 27 32.163 -51.719 21.766 1.00 0.00 C ATOM 413 CD LYS A 27 31.200 -51.858 22.946 1.00 0.00 C ATOM 414 CE LYS A 27 31.769 -51.233 24.220 1.00 0.00 C ATOM 415 NZ LYS A 27 32.970 -51.959 24.668 1.00 0.00 N ATOM 0 H LYS A 27 33.865 -53.229 20.487 1.00 0.00 H new ATOM 0 HA LYS A 27 31.844 -52.658 18.442 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.627 -51.677 20.266 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.183 -53.288 20.674 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.086 -52.259 21.975 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.431 -50.672 21.627 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.252 -51.381 22.699 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.990 -52.913 23.121 1.00 0.00 H new ATOM 0 HE2 LYS A 27 32.018 -50.187 24.038 1.00 0.00 H new ATOM 0 HE3 LYS A 27 31.015 -51.249 25.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.261 -51.606 25.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 32.758 -52.975 24.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.741 -51.809 23.986 1.00 0.00 H new ATOM 429 N MET A 28 32.837 -50.592 17.557 1.00 0.00 N ATOM 430 CA MET A 28 33.372 -49.329 17.041 1.00 0.00 C ATOM 431 C MET A 28 32.221 -48.328 16.892 1.00 0.00 C ATOM 432 O MET A 28 31.558 -47.985 17.871 1.00 0.00 O ATOM 433 CB MET A 28 34.097 -49.624 15.722 1.00 0.00 C ATOM 434 CG MET A 28 35.340 -50.493 15.919 1.00 0.00 C ATOM 435 SD MET A 28 36.216 -50.661 14.354 1.00 0.00 S ATOM 436 CE MET A 28 36.891 -48.999 14.221 1.00 0.00 C ATOM 0 H MET A 28 32.435 -51.212 16.854 1.00 0.00 H new ATOM 0 HA MET A 28 34.095 -48.878 17.721 1.00 0.00 H new ATOM 0 HB2 MET A 28 33.412 -50.125 15.039 1.00 0.00 H new ATOM 0 HB3 MET A 28 34.386 -48.684 15.252 1.00 0.00 H new ATOM 0 HG2 MET A 28 35.994 -50.045 16.667 1.00 0.00 H new ATOM 0 HG3 MET A 28 35.053 -51.476 16.294 1.00 0.00 H new ATOM 0 HE1 MET A 28 37.649 -48.976 13.438 1.00 0.00 H new ATOM 0 HE2 MET A 28 36.092 -48.301 13.973 1.00 0.00 H new ATOM 0 HE3 MET A 28 37.341 -48.712 15.171 1.00 0.00 H new ATOM 446 N ASP A 29 31.957 -47.858 15.679 1.00 0.00 N ATOM 447 CA ASP A 29 30.814 -46.959 15.476 1.00 0.00 C ATOM 448 C ASP A 29 29.621 -47.784 14.985 1.00 0.00 C ATOM 449 O ASP A 29 29.128 -47.618 13.869 1.00 0.00 O ATOM 450 CB ASP A 29 31.231 -45.873 14.479 1.00 0.00 C ATOM 451 CG ASP A 29 30.192 -44.768 14.344 1.00 0.00 C ATOM 452 OD1 ASP A 29 30.064 -43.947 15.277 1.00 0.00 O ATOM 453 OD2 ASP A 29 29.512 -44.703 13.298 1.00 0.00 O ATOM 0 H ASP A 29 32.497 -48.072 14.840 1.00 0.00 H new ATOM 0 HA ASP A 29 30.512 -46.468 16.401 1.00 0.00 H new ATOM 0 HB2 ASP A 29 32.178 -45.438 14.797 1.00 0.00 H new ATOM 0 HB3 ASP A 29 31.401 -46.328 13.503 1.00 0.00 H new ATOM 458 N CYS A 30 29.170 -48.708 15.823 1.00 0.00 N ATOM 459 CA CYS A 30 28.107 -49.626 15.402 1.00 0.00 C ATOM 460 C CYS A 30 27.214 -49.988 16.594 1.00 0.00 C ATOM 461 O CYS A 30 27.161 -49.277 17.598 1.00 0.00 O ATOM 462 CB CYS A 30 28.775 -50.851 14.773 1.00 0.00 C ATOM 463 SG CYS A 30 29.343 -50.434 13.119 1.00 0.00 S ATOM 0 H CYS A 30 29.509 -48.845 16.775 1.00 0.00 H new ATOM 0 HA CYS A 30 27.453 -49.162 14.663 1.00 0.00 H new ATOM 0 HB2 CYS A 30 29.615 -51.177 15.387 1.00 0.00 H new ATOM 0 HB3 CYS A 30 28.070 -51.682 14.729 1.00 0.00 H new ATOM 468 N ARG A 31 26.468 -51.080 16.477 1.00 0.00 N ATOM 469 CA ARG A 31 25.501 -51.424 17.522 1.00 0.00 C ATOM 470 C ARG A 31 26.213 -51.895 18.791 1.00 0.00 C ATOM 471 O ARG A 31 27.363 -52.335 18.773 1.00 0.00 O ATOM 472 CB ARG A 31 24.573 -52.497 16.944 1.00 0.00 C ATOM 473 CG ARG A 31 23.355 -52.767 17.828 1.00 0.00 C ATOM 474 CD ARG A 31 22.432 -53.784 17.157 1.00 0.00 C ATOM 475 NE ARG A 31 21.235 -53.997 17.978 1.00 0.00 N ATOM 476 CZ ARG A 31 20.431 -55.025 17.742 1.00 0.00 C ATOM 477 NH1 ARG A 31 20.691 -55.890 16.779 1.00 0.00 N ATOM 478 NH2 ARG A 31 19.352 -55.186 18.481 1.00 0.00 N ATOM 0 H ARG A 31 26.508 -51.730 15.692 1.00 0.00 H new ATOM 0 HA ARG A 31 24.915 -50.553 17.816 1.00 0.00 H new ATOM 0 HB2 ARG A 31 24.236 -52.185 15.955 1.00 0.00 H new ATOM 0 HB3 ARG A 31 25.133 -53.423 16.813 1.00 0.00 H new ATOM 0 HG2 ARG A 31 23.677 -53.143 18.799 1.00 0.00 H new ATOM 0 HG3 ARG A 31 22.814 -51.838 18.009 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.145 -53.429 16.167 1.00 0.00 H new ATOM 0 HD3 ARG A 31 22.959 -54.728 17.017 1.00 0.00 H new ATOM 0 HE ARG A 31 21.019 -53.350 18.736 1.00 0.00 H new ATOM 0 HH11 ARG A 31 21.523 -55.774 16.200 1.00 0.00 H new ATOM 0 HH12 ARG A 31 20.060 -56.674 16.614 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.141 -54.523 19.227 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.728 -55.974 18.307 1.00 0.00 H new ATOM 492 N TRP A 32 25.516 -51.781 19.912 1.00 0.00 N ATOM 493 CA TRP A 32 26.129 -52.090 21.207 1.00 0.00 C ATOM 494 C TRP A 32 26.695 -53.511 21.282 1.00 0.00 C ATOM 495 O TRP A 32 27.841 -53.716 21.683 1.00 0.00 O ATOM 496 CB TRP A 32 25.050 -51.855 22.269 1.00 0.00 C ATOM 497 CG TRP A 32 25.549 -52.060 23.684 1.00 0.00 C ATOM 498 CD1 TRP A 32 25.040 -52.974 24.611 1.00 0.00 C ATOM 499 CD2 TRP A 32 26.546 -51.379 24.335 1.00 0.00 C ATOM 500 NE1 TRP A 32 25.724 -52.875 25.831 1.00 0.00 N ATOM 501 CE2 TRP A 32 26.648 -51.865 25.607 1.00 0.00 C ATOM 502 CE3 TRP A 32 27.331 -50.377 23.898 1.00 0.00 C ATOM 503 CZ2 TRP A 32 27.549 -51.353 26.468 1.00 0.00 C ATOM 504 CZ3 TRP A 32 28.238 -49.862 24.764 1.00 0.00 C ATOM 505 CH2 TRP A 32 28.346 -50.345 26.033 1.00 0.00 C ATOM 0 H TRP A 32 24.542 -51.482 19.958 1.00 0.00 H new ATOM 0 HA TRP A 32 26.992 -51.444 21.369 1.00 0.00 H new ATOM 0 HB2 TRP A 32 24.667 -50.839 22.170 1.00 0.00 H new ATOM 0 HB3 TRP A 32 24.215 -52.530 22.084 1.00 0.00 H new ATOM 0 HD1 TRP A 32 24.231 -53.662 24.415 1.00 0.00 H new ATOM 0 HE1 TRP A 32 25.577 -53.418 26.682 1.00 0.00 H new ATOM 0 HE3 TRP A 32 27.241 -49.996 22.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 27.634 -51.734 27.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 28.884 -49.058 24.443 1.00 0.00 H new ATOM 0 HH2 TRP A 32 29.078 -49.919 26.703 1.00 0.00 H new ATOM 516 N ARG A 33 25.896 -54.498 20.908 1.00 0.00 N ATOM 517 CA ARG A 33 26.361 -55.889 21.008 1.00 0.00 C ATOM 518 C ARG A 33 26.943 -56.420 19.689 1.00 0.00 C ATOM 519 O ARG A 33 27.184 -57.619 19.549 1.00 0.00 O ATOM 520 CB ARG A 33 25.192 -56.766 21.473 1.00 0.00 C ATOM 521 CG ARG A 33 24.714 -56.371 22.874 1.00 0.00 C ATOM 522 CD ARG A 33 23.520 -57.215 23.318 1.00 0.00 C ATOM 523 NE ARG A 33 23.154 -56.848 24.691 1.00 0.00 N ATOM 524 CZ ARG A 33 22.109 -57.409 25.285 1.00 0.00 C ATOM 525 NH1 ARG A 33 21.349 -58.282 24.650 1.00 0.00 N ATOM 526 NH2 ARG A 33 21.825 -57.090 26.531 1.00 0.00 N ATOM 0 H ARG A 33 24.951 -54.379 20.543 1.00 0.00 H new ATOM 0 HA ARG A 33 27.175 -55.922 21.733 1.00 0.00 H new ATOM 0 HB2 ARG A 33 24.366 -56.677 20.767 1.00 0.00 H new ATOM 0 HB3 ARG A 33 25.499 -57.812 21.474 1.00 0.00 H new ATOM 0 HG2 ARG A 33 25.531 -56.492 23.586 1.00 0.00 H new ATOM 0 HG3 ARG A 33 24.438 -55.317 22.881 1.00 0.00 H new ATOM 0 HD2 ARG A 33 22.676 -57.053 22.648 1.00 0.00 H new ATOM 0 HD3 ARG A 33 23.769 -58.275 23.266 1.00 0.00 H new ATOM 0 HE ARG A 33 23.709 -56.155 25.193 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.561 -58.536 23.685 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.550 -58.702 25.124 1.00 0.00 H new ATOM 0 HH21 ARG A 33 22.407 -56.417 27.030 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.024 -57.516 26.996 1.00 0.00 H new ATOM 540 N TRP A 34 27.192 -55.547 18.720 1.00 0.00 N ATOM 541 CA TRP A 34 27.833 -55.984 17.474 1.00 0.00 C ATOM 542 C TRP A 34 29.264 -55.440 17.436 1.00 0.00 C ATOM 543 O TRP A 34 29.677 -54.641 18.278 1.00 0.00 O ATOM 544 CB TRP A 34 27.027 -55.450 16.283 1.00 0.00 C ATOM 545 CG TRP A 34 25.706 -56.170 16.060 1.00 0.00 C ATOM 546 CD1 TRP A 34 25.014 -57.013 16.942 1.00 0.00 C ATOM 547 CD2 TRP A 34 24.958 -56.148 14.908 1.00 0.00 C ATOM 548 NE1 TRP A 34 23.845 -57.503 16.347 1.00 0.00 N ATOM 549 CE2 TRP A 34 23.858 -56.938 15.083 1.00 0.00 C ATOM 550 CE3 TRP A 34 25.192 -55.514 13.742 1.00 0.00 C ATOM 551 CZ2 TRP A 34 22.964 -57.104 14.088 1.00 0.00 C ATOM 552 CZ3 TRP A 34 24.291 -55.679 12.742 1.00 0.00 C ATOM 553 CH2 TRP A 34 23.190 -56.463 12.913 1.00 0.00 C ATOM 0 H TRP A 34 26.968 -54.553 18.764 1.00 0.00 H new ATOM 0 HA TRP A 34 27.863 -57.072 17.422 1.00 0.00 H new ATOM 0 HB2 TRP A 34 26.830 -54.389 16.437 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.632 -55.534 15.380 1.00 0.00 H new ATOM 0 HD1 TRP A 34 25.339 -57.252 17.944 1.00 0.00 H new ATOM 0 HE1 TRP A 34 23.148 -58.129 16.750 1.00 0.00 H new ATOM 0 HE3 TRP A 34 26.067 -54.896 13.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 22.093 -57.729 14.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 24.449 -55.182 11.796 1.00 0.00 H new ATOM 0 HH2 TRP A 34 22.486 -56.576 12.101 1.00 0.00 H new ATOM 564 N LYS A 35 30.040 -55.877 16.454 1.00 0.00 N ATOM 565 CA LYS A 35 31.426 -55.402 16.358 1.00 0.00 C ATOM 566 C LYS A 35 31.804 -55.136 14.899 1.00 0.00 C ATOM 567 O LYS A 35 31.037 -55.415 13.978 1.00 0.00 O ATOM 568 CB LYS A 35 32.362 -56.427 17.008 1.00 0.00 C ATOM 569 CG LYS A 35 32.316 -57.795 16.324 1.00 0.00 C ATOM 570 CD LYS A 35 33.367 -58.729 16.921 1.00 0.00 C ATOM 571 CE LYS A 35 33.368 -60.071 16.190 1.00 0.00 C ATOM 572 NZ LYS A 35 34.489 -60.895 16.669 1.00 0.00 N ATOM 0 H LYS A 35 29.753 -56.537 15.732 1.00 0.00 H new ATOM 0 HA LYS A 35 31.526 -54.458 16.893 1.00 0.00 H new ATOM 0 HB2 LYS A 35 33.383 -56.047 16.981 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.093 -56.542 18.058 1.00 0.00 H new ATOM 0 HG2 LYS A 35 31.324 -58.233 16.440 1.00 0.00 H new ATOM 0 HG3 LYS A 35 32.490 -57.679 15.254 1.00 0.00 H new ATOM 0 HD2 LYS A 35 34.353 -58.269 16.850 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.163 -58.885 17.980 1.00 0.00 H new ATOM 0 HE2 LYS A 35 32.424 -60.589 16.360 1.00 0.00 H new ATOM 0 HE3 LYS A 35 33.455 -59.911 15.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.789 -61.545 15.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 35.285 -60.279 16.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.187 -61.444 17.499 1.00 0.00 H new ATOM 586 N CYS A 36 32.990 -54.581 14.674 1.00 0.00 N ATOM 587 CA CYS A 36 33.382 -54.255 13.299 1.00 0.00 C ATOM 588 C CYS A 36 34.490 -55.193 12.820 1.00 0.00 C ATOM 589 O CYS A 36 35.276 -55.719 13.605 1.00 0.00 O ATOM 590 CB CYS A 36 33.822 -52.792 13.236 1.00 0.00 C ATOM 591 SG CYS A 36 33.787 -52.227 11.525 1.00 0.00 S ATOM 0 H CYS A 36 33.677 -54.353 15.392 1.00 0.00 H new ATOM 0 HA CYS A 36 32.530 -54.393 12.633 1.00 0.00 H new ATOM 0 HB2 CYS A 36 33.162 -52.176 13.847 1.00 0.00 H new ATOM 0 HB3 CYS A 36 34.827 -52.685 13.645 1.00 0.00 H new ATOM 596 N CYS A 37 34.562 -55.402 11.515 1.00 0.00 N ATOM 597 CA CYS A 37 35.657 -56.206 10.960 1.00 0.00 C ATOM 598 C CYS A 37 36.145 -55.556 9.668 1.00 0.00 C ATOM 599 O CYS A 37 35.428 -54.795 9.018 1.00 0.00 O ATOM 600 CB CYS A 37 35.173 -57.631 10.686 1.00 0.00 C ATOM 601 SG CYS A 37 34.893 -58.490 12.241 1.00 0.00 S ATOM 0 H CYS A 37 33.898 -55.040 10.830 1.00 0.00 H new ATOM 0 HA CYS A 37 36.478 -56.253 11.675 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.252 -57.606 10.103 1.00 0.00 H new ATOM 0 HB3 CYS A 37 35.912 -58.168 10.092 1.00 0.00 H new ATOM 606 N LYS A 38 37.376 -55.858 9.280 1.00 0.00 N ATOM 607 CA LYS A 38 37.910 -55.265 8.049 1.00 0.00 C ATOM 608 C LYS A 38 37.395 -56.037 6.829 1.00 0.00 C ATOM 609 O LYS A 38 38.087 -56.880 6.257 1.00 0.00 O ATOM 610 CB LYS A 38 39.439 -55.265 8.121 1.00 0.00 C ATOM 611 CG LYS A 38 40.058 -54.500 6.948 1.00 0.00 C ATOM 612 CD LYS A 38 41.586 -54.511 7.007 1.00 0.00 C ATOM 613 CE LYS A 38 42.144 -55.914 6.759 1.00 0.00 C ATOM 614 NZ LYS A 38 43.615 -55.879 6.785 1.00 0.00 N ATOM 0 H LYS A 38 38.009 -56.486 9.775 1.00 0.00 H new ATOM 0 HA LYS A 38 37.571 -54.234 7.947 1.00 0.00 H new ATOM 0 HB2 LYS A 38 39.760 -54.814 9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 38 39.804 -56.292 8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 38 39.727 -54.944 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 38 39.701 -53.470 6.957 1.00 0.00 H new ATOM 0 HD2 LYS A 38 41.985 -53.822 6.263 1.00 0.00 H new ATOM 0 HD3 LYS A 38 41.917 -54.153 7.982 1.00 0.00 H new ATOM 0 HE2 LYS A 38 41.774 -56.602 7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 38 41.797 -56.288 5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 43.988 -56.835 6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 43.960 -55.237 6.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 43.938 -55.541 7.714 1.00 0.00 H new