USER MOD reduce.3.24.130724 H: found=0, std=0, add=283, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 281 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 1 THR N :NH3+ -165:sc= -0.0563 (180deg=-0.426) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 CYS SG : rot -39:sc= -3.03 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0988 X(o=-0.099,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00567 X(o=-0.0057,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -68:sc= 0.159 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 2.543 24.771 1.807 1.00 0.00 N ATOM 2 CA THR A 1 3.352 23.681 2.328 1.00 0.00 C ATOM 3 C THR A 1 2.756 23.152 3.634 1.00 0.00 C ATOM 4 O THR A 1 2.944 21.987 3.980 1.00 0.00 O ATOM 5 CB THR A 1 4.788 24.187 2.476 1.00 0.00 C ATOM 6 OG1 THR A 1 5.244 24.335 1.134 1.00 0.00 O ATOM 7 CG2 THR A 1 5.722 23.132 3.072 1.00 0.00 C ATOM 0 H1 THR A 1 2.799 24.950 0.815 1.00 0.00 H new ATOM 0 H2 THR A 1 1.537 24.514 1.863 1.00 0.00 H new ATOM 0 H3 THR A 1 2.713 25.629 2.369 1.00 0.00 H new ATOM 0 HA THR A 1 3.360 22.832 1.644 1.00 0.00 H new ATOM 0 HB THR A 1 4.796 25.077 3.106 1.00 0.00 H new ATOM 0 HG1 THR A 1 6.168 24.662 1.137 1.00 0.00 H new ATOM 0 HG21 THR A 1 6.728 23.542 3.156 1.00 0.00 H new ATOM 0 HG22 THR A 1 5.364 22.846 4.061 1.00 0.00 H new ATOM 0 HG23 THR A 1 5.740 22.255 2.425 1.00 0.00 H new ATOM 15 N SER A 2 2.049 24.035 4.325 1.00 0.00 N ATOM 16 CA SER A 2 1.425 23.672 5.586 1.00 0.00 C ATOM 17 C SER A 2 0.170 22.836 5.327 1.00 0.00 C ATOM 18 O SER A 2 -0.415 22.284 6.257 1.00 0.00 O ATOM 19 CB SER A 2 1.074 24.915 6.405 1.00 0.00 C ATOM 20 OG SER A 2 2.170 25.355 7.204 1.00 0.00 O ATOM 0 H SER A 2 1.895 25.001 4.035 1.00 0.00 H new ATOM 0 HA SER A 2 2.137 23.080 6.161 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.770 25.718 5.733 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.221 24.697 7.048 1.00 0.00 H new ATOM 0 HG SER A 2 1.907 26.152 7.710 1.00 0.00 H new ATOM 26 N SER A 3 -0.205 22.768 4.058 1.00 0.00 N ATOM 27 CA SER A 3 -1.380 22.008 3.665 1.00 0.00 C ATOM 28 C SER A 3 -1.029 20.523 3.552 1.00 0.00 C ATOM 29 O SER A 3 -1.914 19.669 3.578 1.00 0.00 O ATOM 30 CB SER A 3 -1.949 22.520 2.340 1.00 0.00 C ATOM 31 OG SER A 3 -3.312 22.919 2.463 1.00 0.00 O ATOM 0 H SER A 3 0.284 23.226 3.289 1.00 0.00 H new ATOM 0 HA SER A 3 -2.143 22.138 4.432 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.354 23.364 1.992 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.867 21.739 1.584 1.00 0.00 H new ATOM 0 HG SER A 3 -3.638 23.241 1.597 1.00 0.00 H new ATOM 37 N ILE A 4 0.264 20.261 3.431 1.00 0.00 N ATOM 38 CA ILE A 4 0.743 18.894 3.315 1.00 0.00 C ATOM 39 C ILE A 4 0.477 18.152 4.626 1.00 0.00 C ATOM 40 O ILE A 4 0.082 16.987 4.616 1.00 0.00 O ATOM 41 CB ILE A 4 2.211 18.875 2.884 1.00 0.00 C ATOM 42 CG1 ILE A 4 2.366 19.367 1.444 1.00 0.00 C ATOM 43 CG2 ILE A 4 2.823 17.487 3.084 1.00 0.00 C ATOM 44 CD1 ILE A 4 3.763 19.944 1.209 1.00 0.00 C ATOM 0 H ILE A 4 0.995 20.972 3.411 1.00 0.00 H new ATOM 0 HA ILE A 4 0.199 18.365 2.533 1.00 0.00 H new ATOM 0 HB ILE A 4 2.763 19.566 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.188 18.543 0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.614 20.128 1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.867 17.501 2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.764 17.212 4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 4 2.274 16.758 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.846 20.286 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.928 20.783 1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.511 19.174 1.397 1.00 0.00 H new ATOM 56 N VAL A 5 0.704 18.857 5.725 1.00 0.00 N ATOM 57 CA VAL A 5 0.494 18.280 7.042 1.00 0.00 C ATOM 58 C VAL A 5 -1.007 18.135 7.297 1.00 0.00 C ATOM 59 O VAL A 5 -1.419 17.436 8.221 1.00 0.00 O ATOM 60 CB VAL A 5 1.201 19.126 8.103 1.00 0.00 C ATOM 61 CG1 VAL A 5 0.830 18.661 9.512 1.00 0.00 C ATOM 62 CG2 VAL A 5 2.718 19.104 7.900 1.00 0.00 C ATOM 0 H VAL A 5 1.031 19.823 5.730 1.00 0.00 H new ATOM 0 HA VAL A 5 0.931 17.283 7.096 1.00 0.00 H new ATOM 0 HB VAL A 5 0.862 20.156 7.990 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.346 19.279 10.247 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.247 18.752 9.653 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.126 17.620 9.641 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.197 19.713 8.667 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.080 18.078 7.973 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.959 19.505 6.916 1.00 0.00 H new ATOM 72 N HIS A 6 -1.785 18.806 6.460 1.00 0.00 N ATOM 73 CA HIS A 6 -3.232 18.760 6.583 1.00 0.00 C ATOM 74 C HIS A 6 -3.786 17.632 5.710 1.00 0.00 C ATOM 75 O HIS A 6 -4.959 17.277 5.819 1.00 0.00 O ATOM 76 CB HIS A 6 -3.849 20.121 6.254 1.00 0.00 C ATOM 77 CG HIS A 6 -5.055 20.468 7.094 1.00 0.00 C ATOM 78 ND1 HIS A 6 -4.959 20.863 8.417 1.00 0.00 N ATOM 79 CD2 HIS A 6 -6.383 20.476 6.785 1.00 0.00 C ATOM 80 CE1 HIS A 6 -6.180 21.095 8.874 1.00 0.00 C ATOM 81 NE2 HIS A 6 -7.062 20.854 7.861 1.00 0.00 N ATOM 0 H HIS A 6 -1.440 19.385 5.694 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.506 18.542 7.615 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.092 20.894 6.387 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.136 20.134 5.202 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.810 20.218 5.827 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.433 21.418 9.873 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.076 20.949 7.921 1.00 0.00 H new ATOM 90 N LEU A 7 -2.916 17.100 4.864 1.00 0.00 N ATOM 91 CA LEU A 7 -3.303 16.019 3.974 1.00 0.00 C ATOM 92 C LEU A 7 -2.675 14.712 4.461 1.00 0.00 C ATOM 93 O LEU A 7 -3.279 13.647 4.344 1.00 0.00 O ATOM 94 CB LEU A 7 -2.954 16.367 2.525 1.00 0.00 C ATOM 95 CG LEU A 7 -3.688 17.569 1.928 1.00 0.00 C ATOM 96 CD1 LEU A 7 -3.101 17.951 0.568 1.00 0.00 C ATOM 97 CD2 LEU A 7 -5.194 17.308 1.850 1.00 0.00 C ATOM 0 H LEU A 7 -1.944 17.398 4.776 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.384 15.879 3.993 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.882 16.555 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.160 15.496 1.903 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.543 18.422 2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.641 18.808 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.048 18.208 0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.195 17.109 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.692 18.178 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.380 16.437 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.583 17.123 2.851 1.00 0.00 H new ATOM 109 N CYS A 8 -1.470 14.836 4.997 1.00 0.00 N ATOM 110 CA CYS A 8 -0.752 13.678 5.503 1.00 0.00 C ATOM 111 C CYS A 8 -1.730 12.823 6.312 1.00 0.00 C ATOM 112 O CYS A 8 -1.762 11.603 6.164 1.00 0.00 O ATOM 113 CB CYS A 8 0.469 14.086 6.330 1.00 0.00 C ATOM 114 SG CYS A 8 -0.062 15.022 7.810 1.00 0.00 S ATOM 0 H CYS A 8 -0.972 15.721 5.092 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.364 13.094 4.668 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.027 13.200 6.631 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.141 14.696 5.726 1.00 0.00 H new ATOM 0 HG CYS A 8 -1.049 15.807 7.496 1.00 0.00 H new ATOM 120 N ALA A 9 -2.503 13.498 7.150 1.00 0.00 N ATOM 121 CA ALA A 9 -3.480 12.816 7.982 1.00 0.00 C ATOM 122 C ALA A 9 -4.655 12.362 7.114 1.00 0.00 C ATOM 123 O ALA A 9 -4.937 11.169 7.018 1.00 0.00 O ATOM 124 CB ALA A 9 -3.917 13.741 9.119 1.00 0.00 C ATOM 0 H ALA A 9 -2.473 14.510 7.271 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.043 11.926 8.436 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.650 13.229 9.743 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.050 14.010 9.723 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.363 14.644 8.702 1.00 0.00 H new ATOM 130 N ILE A 10 -5.310 13.339 6.504 1.00 0.00 N ATOM 131 CA ILE A 10 -6.449 13.055 5.648 1.00 0.00 C ATOM 132 C ILE A 10 -6.149 11.817 4.801 1.00 0.00 C ATOM 133 O ILE A 10 -7.010 10.955 4.629 1.00 0.00 O ATOM 134 CB ILE A 10 -6.820 14.289 4.823 1.00 0.00 C ATOM 135 CG1 ILE A 10 -7.366 15.404 5.718 1.00 0.00 C ATOM 136 CG2 ILE A 10 -7.794 13.926 3.700 1.00 0.00 C ATOM 137 CD1 ILE A 10 -8.683 14.984 6.373 1.00 0.00 C ATOM 0 H ILE A 10 -5.074 14.328 6.586 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.329 12.825 6.249 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.914 14.670 4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.634 15.649 6.488 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.521 16.307 5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.041 14.821 3.129 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.332 13.191 3.041 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.704 13.507 4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.050 15.794 7.004 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -9.420 14.763 5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.519 14.095 6.982 1.00 0.00 H new ATOM 149 N SER A 11 -4.926 11.767 4.295 1.00 0.00 N ATOM 150 CA SER A 11 -4.502 10.648 3.471 1.00 0.00 C ATOM 151 C SER A 11 -3.478 9.799 4.228 1.00 0.00 C ATOM 152 O SER A 11 -2.281 9.874 3.955 1.00 0.00 O ATOM 153 CB SER A 11 -3.912 11.134 2.145 1.00 0.00 C ATOM 154 OG SER A 11 -4.877 11.125 1.097 1.00 0.00 O ATOM 0 H SER A 11 -4.215 12.484 4.440 1.00 0.00 H new ATOM 0 HA SER A 11 -5.376 10.037 3.247 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.522 12.144 2.270 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.070 10.499 1.868 1.00 0.00 H new ATOM 0 HG SER A 11 -4.462 11.443 0.268 1.00 0.00 H new ATOM 160 N LEU A 12 -3.987 9.011 5.163 1.00 0.00 N ATOM 161 CA LEU A 12 -3.133 8.148 5.961 1.00 0.00 C ATOM 162 C LEU A 12 -3.778 6.766 6.080 1.00 0.00 C ATOM 163 O LEU A 12 -3.151 5.755 5.769 1.00 0.00 O ATOM 164 CB LEU A 12 -2.823 8.800 7.310 1.00 0.00 C ATOM 165 CG LEU A 12 -1.549 8.322 8.009 1.00 0.00 C ATOM 166 CD1 LEU A 12 -0.745 9.506 8.552 1.00 0.00 C ATOM 167 CD2 LEU A 12 -1.872 7.300 9.100 1.00 0.00 C ATOM 0 H LEU A 12 -4.981 8.952 5.386 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.169 8.009 5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.750 9.877 7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.667 8.626 7.978 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.923 7.818 7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.156 9.139 9.044 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.466 10.164 7.729 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.351 10.059 9.270 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.949 6.977 9.581 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.528 7.755 9.842 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.370 6.439 8.656 1.00 0.00 H new ATOM 179 N ILE A 13 -5.024 6.767 6.531 1.00 0.00 N ATOM 180 CA ILE A 13 -5.762 5.526 6.694 1.00 0.00 C ATOM 181 C ILE A 13 -5.895 4.834 5.336 1.00 0.00 C ATOM 182 O ILE A 13 -5.272 3.800 5.099 1.00 0.00 O ATOM 183 CB ILE A 13 -7.102 5.786 7.386 1.00 0.00 C ATOM 184 CG1 ILE A 13 -6.894 6.399 8.772 1.00 0.00 C ATOM 185 CG2 ILE A 13 -7.946 4.512 7.443 1.00 0.00 C ATOM 186 CD1 ILE A 13 -7.282 7.879 8.782 1.00 0.00 C ATOM 0 H ILE A 13 -5.541 7.608 6.789 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.219 4.843 7.348 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.657 6.513 6.793 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.491 5.858 9.506 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.851 6.291 9.068 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.893 4.725 7.940 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -8.139 4.158 6.430 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.409 3.744 8.000 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.124 8.290 9.779 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.666 8.421 8.065 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.332 7.982 8.509 1.00 0.00 H new ATOM 198 N ARG A 14 -6.711 5.432 4.481 1.00 0.00 N ATOM 199 CA ARG A 14 -6.933 4.886 3.153 1.00 0.00 C ATOM 200 C ARG A 14 -5.600 4.513 2.501 1.00 0.00 C ATOM 201 O ARG A 14 -5.544 3.618 1.660 1.00 0.00 O ATOM 202 CB ARG A 14 -7.666 5.889 2.260 1.00 0.00 C ATOM 203 CG ARG A 14 -8.252 5.200 1.026 1.00 0.00 C ATOM 204 CD ARG A 14 -7.524 5.641 -0.246 1.00 0.00 C ATOM 205 NE ARG A 14 -8.177 5.049 -1.434 1.00 0.00 N ATOM 206 CZ ARG A 14 -8.029 3.773 -1.816 1.00 0.00 C ATOM 207 NH1 ARG A 14 -7.249 2.948 -1.104 1.00 0.00 N ATOM 208 NH2 ARG A 14 -8.661 3.323 -2.908 1.00 0.00 N ATOM 0 H ARG A 14 -7.226 6.289 4.682 1.00 0.00 H new ATOM 0 HA ARG A 14 -7.550 3.994 3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.464 6.369 2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.978 6.675 1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.174 4.119 1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.313 5.436 0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.532 6.728 -0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.480 5.332 -0.203 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.778 5.650 -1.998 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.769 3.291 -0.272 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.136 1.977 -1.394 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.255 3.952 -3.449 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.548 2.352 -3.199 1.00 0.00 H new ATOM 222 N TYR A 15 -4.558 5.220 2.916 1.00 0.00 N ATOM 223 CA TYR A 15 -3.228 4.975 2.383 1.00 0.00 C ATOM 224 C TYR A 15 -2.293 4.438 3.469 1.00 0.00 C ATOM 225 O TYR A 15 -1.093 4.709 3.449 1.00 0.00 O ATOM 226 CB TYR A 15 -2.709 6.332 1.904 1.00 0.00 C ATOM 227 CG TYR A 15 -3.199 6.729 0.510 1.00 0.00 C ATOM 228 CD1 TYR A 15 -2.500 6.324 -0.608 1.00 0.00 C ATOM 229 CD2 TYR A 15 -4.341 7.492 0.372 1.00 0.00 C ATOM 230 CE1 TYR A 15 -2.961 6.698 -1.920 1.00 0.00 C ATOM 231 CE2 TYR A 15 -4.802 7.866 -0.940 1.00 0.00 C ATOM 232 CZ TYR A 15 -4.089 7.451 -2.021 1.00 0.00 C ATOM 233 OH TYR A 15 -4.525 7.804 -3.260 1.00 0.00 O ATOM 0 H TYR A 15 -4.608 5.962 3.614 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.265 4.236 1.583 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.014 7.098 2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.619 6.313 1.903 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.607 5.726 -0.499 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.888 7.808 1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.423 6.388 -2.804 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.694 8.463 -1.063 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.342 8.340 -3.179 1.00 0.00 H new ATOM 243 N TRP A 16 -2.878 3.687 4.391 1.00 0.00 N ATOM 244 CA TRP A 16 -2.112 3.111 5.482 1.00 0.00 C ATOM 245 C TRP A 16 -1.415 1.853 4.959 1.00 0.00 C ATOM 246 O TRP A 16 -0.270 1.580 5.314 1.00 0.00 O ATOM 247 CB TRP A 16 -3.004 2.839 6.695 1.00 0.00 C ATOM 248 CG TRP A 16 -3.628 1.442 6.707 1.00 0.00 C ATOM 249 CD1 TRP A 16 -4.678 1.000 6.002 1.00 0.00 C ATOM 250 CD2 TRP A 16 -3.194 0.314 7.497 1.00 0.00 C ATOM 251 NE1 TRP A 16 -4.952 -0.324 6.277 1.00 0.00 N ATOM 252 CE2 TRP A 16 -4.021 -0.755 7.215 1.00 0.00 C ATOM 253 CE3 TRP A 16 -2.138 0.200 8.418 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -3.878 -2.013 7.812 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -2.009 -1.064 9.006 1.00 0.00 C ATOM 256 CH2 TRP A 16 -2.833 -2.149 8.734 1.00 0.00 C ATOM 0 H TRP A 16 -3.873 3.465 4.404 1.00 0.00 H new ATOM 0 HA TRP A 16 -1.352 3.811 5.830 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.415 2.971 7.603 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.801 3.582 6.721 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -5.240 1.605 5.305 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -5.700 -0.884 5.867 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -1.479 1.022 8.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.538 -2.834 7.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -1.213 -1.206 9.722 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.668 -3.093 9.232 1.00 0.00 H new ATOM 267 N SER A 17 -2.136 1.121 4.122 1.00 0.00 N ATOM 268 CA SER A 17 -1.601 -0.101 3.546 1.00 0.00 C ATOM 269 C SER A 17 -0.487 0.233 2.552 1.00 0.00 C ATOM 270 O SER A 17 -0.586 -0.093 1.370 1.00 0.00 O ATOM 271 CB SER A 17 -2.701 -0.912 2.857 1.00 0.00 C ATOM 272 OG SER A 17 -2.438 -2.312 2.901 1.00 0.00 O ATOM 0 H SER A 17 -3.086 1.351 3.829 1.00 0.00 H new ATOM 0 HA SER A 17 -1.190 -0.708 4.353 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.658 -0.707 3.338 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.791 -0.592 1.819 1.00 0.00 H new ATOM 0 HG SER A 17 -3.163 -2.795 2.453 1.00 0.00 H new ATOM 278 N ILE A 18 0.549 0.878 3.069 1.00 0.00 N ATOM 279 CA ILE A 18 1.681 1.259 2.242 1.00 0.00 C ATOM 280 C ILE A 18 2.894 1.526 3.136 1.00 0.00 C ATOM 281 O ILE A 18 4.001 1.085 2.835 1.00 0.00 O ATOM 282 CB ILE A 18 1.312 2.437 1.339 1.00 0.00 C ATOM 283 CG1 ILE A 18 0.572 1.959 0.088 1.00 0.00 C ATOM 284 CG2 ILE A 18 2.548 3.270 0.990 1.00 0.00 C ATOM 285 CD1 ILE A 18 -0.932 2.208 0.212 1.00 0.00 C ATOM 0 H ILE A 18 0.628 1.146 4.050 1.00 0.00 H new ATOM 0 HA ILE A 18 1.953 0.445 1.570 1.00 0.00 H new ATOM 0 HB ILE A 18 0.630 3.087 1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.959 2.478 -0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.757 0.896 -0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.257 4.101 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.995 3.658 1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.273 2.645 0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.434 1.859 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.320 1.668 1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.115 3.275 0.340 1.00 0.00 H new ATOM 297 N THR A 19 2.643 2.248 4.219 1.00 0.00 N ATOM 298 CA THR A 19 3.700 2.579 5.159 1.00 0.00 C ATOM 299 C THR A 19 4.274 1.307 5.786 1.00 0.00 C ATOM 300 O THR A 19 5.332 1.342 6.412 1.00 0.00 O ATOM 301 CB THR A 19 3.129 3.558 6.187 1.00 0.00 C ATOM 302 OG1 THR A 19 3.297 4.836 5.580 1.00 0.00 O ATOM 303 CG2 THR A 19 3.977 3.634 7.458 1.00 0.00 C ATOM 0 H THR A 19 1.723 2.613 4.466 1.00 0.00 H new ATOM 0 HA THR A 19 4.538 3.063 4.657 1.00 0.00 H new ATOM 0 HB THR A 19 2.113 3.260 6.446 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.951 5.531 6.179 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.527 4.343 8.154 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.024 2.649 7.923 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.984 3.964 7.204 1.00 0.00 H new ATOM 311 N GLN A 20 3.551 0.213 5.595 1.00 0.00 N ATOM 312 CA GLN A 20 3.975 -1.068 6.134 1.00 0.00 C ATOM 313 C GLN A 20 5.093 -1.661 5.274 1.00 0.00 C ATOM 314 O GLN A 20 5.899 -2.455 5.757 1.00 0.00 O ATOM 315 CB GLN A 20 2.795 -2.035 6.242 1.00 0.00 C ATOM 316 CG GLN A 20 3.093 -3.153 7.243 1.00 0.00 C ATOM 317 CD GLN A 20 1.909 -4.116 7.358 1.00 0.00 C ATOM 318 OE1 GLN A 20 1.348 -4.327 8.420 1.00 0.00 O ATOM 319 NE2 GLN A 20 1.563 -4.686 6.207 1.00 0.00 N ATOM 0 H GLN A 20 2.674 0.187 5.074 1.00 0.00 H new ATOM 0 HA GLN A 20 4.363 -0.907 7.140 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.902 -1.492 6.553 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.582 -2.465 5.263 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.982 -3.700 6.929 1.00 0.00 H new ATOM 0 HG3 GLN A 20 3.312 -2.722 8.220 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.076 -4.464 5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.785 -5.345 6.178 1.00 0.00 H new ATOM 328 N ALA A 21 5.107 -1.252 4.013 1.00 0.00 N ATOM 329 CA ALA A 21 6.113 -1.733 3.081 1.00 0.00 C ATOM 330 C ALA A 21 6.976 -0.558 2.618 1.00 0.00 C ATOM 331 O ALA A 21 7.281 -0.437 1.432 1.00 0.00 O ATOM 332 CB ALA A 21 5.428 -2.449 1.916 1.00 0.00 C ATOM 0 H ALA A 21 4.438 -0.593 3.615 1.00 0.00 H new ATOM 0 HA ALA A 21 6.771 -2.454 3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.182 -2.810 1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.852 -3.293 2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.761 -1.755 1.404 1.00 0.00 H new ATOM 338 N ILE A 22 7.346 0.278 3.577 1.00 0.00 N ATOM 339 CA ILE A 22 8.168 1.439 3.282 1.00 0.00 C ATOM 340 C ILE A 22 9.333 1.498 4.272 1.00 0.00 C ATOM 341 O ILE A 22 10.489 1.331 3.886 1.00 0.00 O ATOM 342 CB ILE A 22 7.314 2.708 3.261 1.00 0.00 C ATOM 343 CG1 ILE A 22 6.560 2.840 1.936 1.00 0.00 C ATOM 344 CG2 ILE A 22 8.163 3.945 3.563 1.00 0.00 C ATOM 345 CD1 ILE A 22 5.425 3.860 2.050 1.00 0.00 C ATOM 0 H ILE A 22 7.091 0.174 4.559 1.00 0.00 H new ATOM 0 HA ILE A 22 8.600 1.357 2.285 1.00 0.00 H new ATOM 0 HB ILE A 22 6.566 2.630 4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.250 3.145 1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.155 1.871 1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.532 4.833 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.615 3.844 4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.948 4.040 2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.905 3.935 1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.724 3.539 2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.836 4.834 2.316 1.00 0.00 H new ATOM 357 N GLU A 23 8.989 1.736 5.529 1.00 0.00 N ATOM 358 CA GLU A 23 9.992 1.819 6.577 1.00 0.00 C ATOM 359 C GLU A 23 10.835 0.543 6.607 1.00 0.00 C ATOM 360 O GLU A 23 12.063 0.604 6.560 1.00 0.00 O ATOM 361 CB GLU A 23 9.343 2.080 7.937 1.00 0.00 C ATOM 362 CG GLU A 23 10.397 2.137 9.045 1.00 0.00 C ATOM 363 CD GLU A 23 10.360 3.484 9.769 1.00 0.00 C ATOM 364 OE1 GLU A 23 10.830 4.469 9.160 1.00 0.00 O ATOM 365 OE2 GLU A 23 9.861 3.499 10.915 1.00 0.00 O ATOM 0 H GLU A 23 8.029 1.874 5.846 1.00 0.00 H new ATOM 0 HA GLU A 23 10.650 2.660 6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.791 3.019 7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.621 1.293 8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.223 1.332 9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.387 1.977 8.618 1.00 0.00 H new ATOM 372 N TYR A 24 10.143 -0.584 6.685 1.00 0.00 N ATOM 373 CA TYR A 24 10.812 -1.873 6.722 1.00 0.00 C ATOM 374 C TYR A 24 11.857 -1.980 5.610 1.00 0.00 C ATOM 375 O TYR A 24 12.904 -2.599 5.794 1.00 0.00 O ATOM 376 CB TYR A 24 9.723 -2.921 6.485 1.00 0.00 C ATOM 377 CG TYR A 24 9.288 -3.663 7.750 1.00 0.00 C ATOM 378 CD1 TYR A 24 8.871 -2.953 8.857 1.00 0.00 C ATOM 379 CD2 TYR A 24 9.311 -5.043 7.783 1.00 0.00 C ATOM 380 CE1 TYR A 24 8.461 -3.652 10.048 1.00 0.00 C ATOM 381 CE2 TYR A 24 8.901 -5.742 8.974 1.00 0.00 C ATOM 382 CZ TYR A 24 8.497 -5.012 10.047 1.00 0.00 C ATOM 383 OH TYR A 24 8.109 -5.671 11.172 1.00 0.00 O ATOM 0 H TYR A 24 9.125 -0.631 6.724 1.00 0.00 H new ATOM 0 HA TYR A 24 11.325 -2.012 7.674 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.853 -2.433 6.045 1.00 0.00 H new ATOM 0 HB3 TYR A 24 10.084 -3.647 5.756 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.852 -1.873 8.831 1.00 0.00 H new ATOM 0 HD2 TYR A 24 9.636 -5.599 6.916 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.133 -3.109 10.922 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.914 -6.821 9.013 1.00 0.00 H new ATOM 0 HH TYR A 24 8.185 -6.637 11.028 1.00 0.00 H new ATOM 393 N ASN A 25 11.537 -1.368 4.479 1.00 0.00 N ATOM 394 CA ASN A 25 12.435 -1.387 3.337 1.00 0.00 C ATOM 395 C ASN A 25 13.070 -0.005 3.171 1.00 0.00 C ATOM 396 O ASN A 25 13.316 0.438 2.050 1.00 0.00 O ATOM 397 CB ASN A 25 11.680 -1.719 2.048 1.00 0.00 C ATOM 398 CG ASN A 25 12.383 -2.835 1.273 1.00 0.00 C ATOM 399 OD1 ASN A 25 13.531 -2.723 0.876 1.00 0.00 O ATOM 400 ND2 ASN A 25 11.631 -3.916 1.081 1.00 0.00 N ATOM 0 H ASN A 25 10.668 -0.856 4.329 1.00 0.00 H new ATOM 0 HA ASN A 25 13.194 -2.149 3.517 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.661 -2.024 2.287 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.608 -0.828 1.425 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.009 -4.717 0.575 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.677 -3.944 1.440 1.00 0.00 H new ATOM 407 N LEU A 26 13.318 0.638 4.302 1.00 0.00 N ATOM 408 CA LEU A 26 13.919 1.960 4.296 1.00 0.00 C ATOM 409 C LEU A 26 15.428 1.830 4.518 1.00 0.00 C ATOM 410 O LEU A 26 15.943 2.233 5.560 1.00 0.00 O ATOM 411 CB LEU A 26 13.225 2.870 5.311 1.00 0.00 C ATOM 412 CG LEU A 26 13.763 4.299 5.410 1.00 0.00 C ATOM 413 CD1 LEU A 26 13.001 5.237 4.473 1.00 0.00 C ATOM 414 CD2 LEU A 26 13.743 4.793 6.858 1.00 0.00 C ATOM 0 H LEU A 26 13.113 0.267 5.230 1.00 0.00 H new ATOM 0 HA LEU A 26 13.778 2.438 3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.165 2.919 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.299 2.406 6.295 1.00 0.00 H new ATOM 0 HG LEU A 26 14.804 4.296 5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.403 6.246 4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.111 4.893 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.945 5.242 4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.130 5.811 6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.720 4.778 7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.365 4.142 7.473 1.00 0.00 H new ATOM 426 N LYS A 27 16.094 1.267 3.521 1.00 0.00 N ATOM 427 CA LYS A 27 17.533 1.079 3.594 1.00 0.00 C ATOM 428 C LYS A 27 17.854 0.045 4.675 1.00 0.00 C ATOM 429 O LYS A 27 18.370 0.392 5.736 1.00 0.00 O ATOM 430 CB LYS A 27 18.239 2.421 3.797 1.00 0.00 C ATOM 431 CG LYS A 27 19.756 2.237 3.868 1.00 0.00 C ATOM 432 CD LYS A 27 20.326 1.846 2.503 1.00 0.00 C ATOM 433 CE LYS A 27 20.475 0.328 2.386 1.00 0.00 C ATOM 434 NZ LYS A 27 21.825 -0.096 2.820 1.00 0.00 N ATOM 0 H LYS A 27 15.664 0.935 2.658 1.00 0.00 H new ATOM 0 HA LYS A 27 17.914 0.684 2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 27 17.989 3.095 2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.882 2.888 4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 27 20.222 3.161 4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 27 19.999 1.468 4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.671 2.213 1.713 1.00 0.00 H new ATOM 0 HD3 LYS A 27 21.296 2.322 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.719 -0.166 2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 27 20.304 0.018 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 21.909 -1.129 2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 22.542 0.361 2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 21.974 0.182 3.811 1.00 0.00 H new ATOM 448 N ARG A 28 17.534 -1.203 4.369 1.00 0.00 N ATOM 449 CA ARG A 28 17.782 -2.290 5.301 1.00 0.00 C ATOM 450 C ARG A 28 17.421 -3.632 4.661 1.00 0.00 C ATOM 451 O ARG A 28 16.731 -3.673 3.644 1.00 0.00 O ATOM 452 CB ARG A 28 16.969 -2.110 6.585 1.00 0.00 C ATOM 453 CG ARG A 28 17.711 -2.690 7.790 1.00 0.00 C ATOM 454 CD ARG A 28 16.880 -3.777 8.475 1.00 0.00 C ATOM 455 NE ARG A 28 16.355 -3.276 9.764 1.00 0.00 N ATOM 456 CZ ARG A 28 17.056 -3.260 10.906 1.00 0.00 C ATOM 457 NH1 ARG A 28 18.315 -3.718 10.926 1.00 0.00 N ATOM 458 NH2 ARG A 28 16.497 -2.787 12.029 1.00 0.00 N ATOM 0 H ARG A 28 17.105 -1.486 3.488 1.00 0.00 H new ATOM 0 HA ARG A 28 18.843 -2.277 5.551 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.773 -1.051 6.750 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.001 -2.601 6.479 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.666 -3.106 7.468 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.934 -1.895 8.502 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.055 -4.077 7.829 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.492 -4.663 8.642 1.00 0.00 H new ATOM 0 HE ARG A 28 15.399 -2.920 9.785 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.740 -4.079 10.072 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.848 -3.706 11.795 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.538 -2.439 12.014 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.031 -2.775 12.898 1.00 0.00 H new ATOM 472 N THR A 29 17.905 -4.697 5.284 1.00 0.00 N ATOM 473 CA THR A 29 17.642 -6.037 4.787 1.00 0.00 C ATOM 474 C THR A 29 16.844 -6.840 5.816 1.00 0.00 C ATOM 475 O THR A 29 17.422 -7.526 6.657 1.00 0.00 O ATOM 476 CB THR A 29 18.983 -6.678 4.424 1.00 0.00 C ATOM 477 OG1 THR A 29 18.709 -8.076 4.418 1.00 0.00 O ATOM 478 CG2 THR A 29 20.031 -6.508 5.526 1.00 0.00 C ATOM 0 H THR A 29 18.477 -4.659 6.128 1.00 0.00 H new ATOM 0 HA THR A 29 17.024 -6.012 3.890 1.00 0.00 H new ATOM 0 HB THR A 29 19.356 -6.240 3.498 1.00 0.00 H new ATOM 0 HG1 THR A 29 18.529 -8.378 5.333 1.00 0.00 H new ATOM 0 HG21 THR A 29 20.963 -6.981 5.217 1.00 0.00 H new ATOM 0 HG22 THR A 29 20.204 -5.446 5.703 1.00 0.00 H new ATOM 0 HG23 THR A 29 19.673 -6.975 6.443 1.00 0.00 H new ATOM 486 N PRO A 30 15.492 -6.724 5.713 1.00 0.00 N ATOM 487 CA PRO A 30 14.609 -7.431 6.625 1.00 0.00 C ATOM 488 C PRO A 30 14.542 -8.920 6.279 1.00 0.00 C ATOM 489 O PRO A 30 15.200 -9.374 5.345 1.00 0.00 O ATOM 490 CB PRO A 30 13.266 -6.730 6.494 1.00 0.00 C ATOM 491 CG PRO A 30 13.323 -5.963 5.183 1.00 0.00 C ATOM 492 CD PRO A 30 14.773 -5.920 4.730 1.00 0.00 C ATOM 0 HA PRO A 30 14.959 -7.403 7.657 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.448 -7.450 6.490 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.093 -6.057 7.333 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.702 -6.448 4.430 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.934 -4.953 5.314 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.886 -6.328 3.726 1.00 0.00 H new ATOM 0 HD3 PRO A 30 15.149 -4.897 4.703 1.00 0.00 H new ATOM 500 N ARG A 31 13.741 -9.639 7.052 1.00 0.00 N ATOM 501 CA ARG A 31 13.580 -11.067 6.840 1.00 0.00 C ATOM 502 C ARG A 31 12.606 -11.649 7.866 1.00 0.00 C ATOM 503 O ARG A 31 12.547 -11.186 9.004 1.00 0.00 O ATOM 504 CB ARG A 31 14.921 -11.795 6.949 1.00 0.00 C ATOM 505 CG ARG A 31 14.779 -13.268 6.561 1.00 0.00 C ATOM 506 CD ARG A 31 14.522 -14.137 7.794 1.00 0.00 C ATOM 507 NE ARG A 31 14.268 -15.536 7.384 1.00 0.00 N ATOM 508 CZ ARG A 31 14.433 -16.596 8.186 1.00 0.00 C ATOM 509 NH1 ARG A 31 14.853 -16.424 9.447 1.00 0.00 N ATOM 510 NH2 ARG A 31 14.178 -17.829 7.728 1.00 0.00 N ATOM 0 H ARG A 31 13.197 -9.259 7.826 1.00 0.00 H new ATOM 0 HA ARG A 31 13.183 -11.210 5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.654 -11.314 6.301 1.00 0.00 H new ATOM 0 HB3 ARG A 31 15.298 -11.719 7.969 1.00 0.00 H new ATOM 0 HG2 ARG A 31 13.959 -13.384 5.853 1.00 0.00 H new ATOM 0 HG3 ARG A 31 15.685 -13.604 6.057 1.00 0.00 H new ATOM 0 HD2 ARG A 31 15.381 -14.096 8.463 1.00 0.00 H new ATOM 0 HD3 ARG A 31 13.667 -13.751 8.349 1.00 0.00 H new ATOM 0 HE ARG A 31 13.947 -15.704 6.430 1.00 0.00 H new ATOM 0 HH11 ARG A 31 15.047 -15.486 9.796 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.978 -17.232 10.057 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.858 -17.961 6.768 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.304 -18.636 8.339 1.00 0.00 H new ATOM 524 N ARG A 32 11.867 -12.657 7.427 1.00 0.00 N ATOM 525 CA ARG A 32 10.899 -13.308 8.293 1.00 0.00 C ATOM 526 C ARG A 32 10.221 -14.465 7.557 1.00 0.00 C ATOM 527 O ARG A 32 10.181 -15.587 8.059 1.00 0.00 O ATOM 528 CB ARG A 32 9.831 -12.319 8.767 1.00 0.00 C ATOM 529 CG ARG A 32 8.835 -12.998 9.710 1.00 0.00 C ATOM 530 CD ARG A 32 7.423 -12.446 9.505 1.00 0.00 C ATOM 531 NE ARG A 32 6.982 -11.721 10.718 1.00 0.00 N ATOM 532 CZ ARG A 32 5.712 -11.371 10.963 1.00 0.00 C ATOM 533 NH1 ARG A 32 4.751 -11.676 10.082 1.00 0.00 N ATOM 534 NH2 ARG A 32 5.404 -10.715 12.091 1.00 0.00 N ATOM 0 H ARG A 32 11.919 -13.039 6.483 1.00 0.00 H new ATOM 0 HA ARG A 32 11.436 -13.690 9.161 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.307 -11.481 9.277 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.302 -11.910 7.907 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.838 -14.074 9.535 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.144 -12.843 10.744 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.407 -11.776 8.645 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.733 -13.261 9.287 1.00 0.00 H new ATOM 0 HE ARG A 32 7.689 -11.472 11.410 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.986 -12.175 9.224 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.784 -11.409 10.269 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.136 -10.483 12.762 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.437 -10.448 12.278 1.00 0.00 H new TER 548 ARG A 32