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+ -164:sc= -0.0396 (180deg=-0.305) 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= -0.0993 X(o=-0.099,f=-0.29) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0373 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= -0.181 K(o=-0.18,f=-1.9!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 2.607 25.812 3.291 1.00 0.00 N ATOM 2 CA THR A 1 3.324 24.552 3.385 1.00 0.00 C ATOM 3 C THR A 1 2.763 23.702 4.526 1.00 0.00 C ATOM 4 O THR A 1 2.684 22.479 4.414 1.00 0.00 O ATOM 5 CB THR A 1 4.814 24.866 3.538 1.00 0.00 C ATOM 6 OG1 THR A 1 5.214 25.294 2.239 1.00 0.00 O ATOM 7 CG2 THR A 1 5.654 23.613 3.792 1.00 0.00 C ATOM 0 H1 THR A 1 2.802 26.254 2.370 1.00 0.00 H new ATOM 0 H2 THR A 1 1.586 25.638 3.383 1.00 0.00 H new ATOM 0 H3 THR A 1 2.920 26.447 4.053 1.00 0.00 H new ATOM 0 HA THR A 1 3.193 23.955 2.482 1.00 0.00 H new ATOM 0 HB THR A 1 4.954 25.569 4.359 1.00 0.00 H new ATOM 0 HG1 THR A 1 6.168 25.520 2.248 1.00 0.00 H new ATOM 0 HG21 THR A 1 6.703 23.892 3.893 1.00 0.00 H new ATOM 0 HG22 THR A 1 5.318 23.129 4.709 1.00 0.00 H new ATOM 0 HG23 THR A 1 5.541 22.923 2.955 1.00 0.00 H new ATOM 15 N SER A 2 2.387 24.383 5.599 1.00 0.00 N ATOM 16 CA SER A 2 1.835 23.705 6.760 1.00 0.00 C ATOM 17 C SER A 2 0.488 23.072 6.405 1.00 0.00 C ATOM 18 O SER A 2 -0.046 22.270 7.170 1.00 0.00 O ATOM 19 CB SER A 2 1.674 24.670 7.936 1.00 0.00 C ATOM 20 OG SER A 2 0.919 25.825 7.580 1.00 0.00 O ATOM 0 H SER A 2 2.454 25.397 5.689 1.00 0.00 H new ATOM 0 HA SER A 2 2.530 22.921 7.061 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.182 24.156 8.762 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.658 24.976 8.291 1.00 0.00 H new ATOM 0 HG SER A 2 0.837 26.415 8.358 1.00 0.00 H new ATOM 26 N SER A 3 -0.023 23.457 5.244 1.00 0.00 N ATOM 27 CA SER A 3 -1.298 22.937 4.779 1.00 0.00 C ATOM 28 C SER A 3 -1.107 21.542 4.181 1.00 0.00 C ATOM 29 O SER A 3 -2.059 20.771 4.078 1.00 0.00 O ATOM 30 CB SER A 3 -1.932 23.874 3.749 1.00 0.00 C ATOM 31 OG SER A 3 -3.330 23.640 3.604 1.00 0.00 O ATOM 0 H SER A 3 0.423 24.122 4.612 1.00 0.00 H new ATOM 0 HA SER A 3 -1.972 22.870 5.633 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.767 24.909 4.050 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.440 23.740 2.786 1.00 0.00 H new ATOM 0 HG SER A 3 -3.698 24.259 2.939 1.00 0.00 H new ATOM 37 N ILE A 4 0.131 21.260 3.802 1.00 0.00 N ATOM 38 CA ILE A 4 0.460 19.971 3.216 1.00 0.00 C ATOM 39 C ILE A 4 0.100 18.860 4.205 1.00 0.00 C ATOM 40 O ILE A 4 -0.490 17.851 3.823 1.00 0.00 O ATOM 41 CB ILE A 4 1.922 19.944 2.766 1.00 0.00 C ATOM 42 CG1 ILE A 4 2.134 20.833 1.539 1.00 0.00 C ATOM 43 CG2 ILE A 4 2.394 18.509 2.523 1.00 0.00 C ATOM 44 CD1 ILE A 4 3.565 21.372 1.494 1.00 0.00 C ATOM 0 H ILE A 4 0.919 21.902 3.889 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.129 19.800 2.315 1.00 0.00 H new ATOM 0 HB ILE A 4 2.535 20.353 3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.927 20.264 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.429 21.664 1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.436 18.518 2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.301 17.935 3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.781 18.051 1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.689 22.001 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.760 21.961 2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.266 20.539 1.447 1.00 0.00 H new ATOM 56 N VAL A 5 0.471 19.083 5.457 1.00 0.00 N ATOM 57 CA VAL A 5 0.195 18.114 6.504 1.00 0.00 C ATOM 58 C VAL A 5 -1.300 17.789 6.510 1.00 0.00 C ATOM 59 O VAL A 5 -1.685 16.621 6.561 1.00 0.00 O ATOM 60 CB VAL A 5 0.698 18.639 7.850 1.00 0.00 C ATOM 61 CG1 VAL A 5 -0.384 19.457 8.558 1.00 0.00 C ATOM 62 CG2 VAL A 5 1.188 17.493 8.737 1.00 0.00 C ATOM 0 H VAL A 5 0.961 19.921 5.770 1.00 0.00 H new ATOM 0 HA VAL A 5 0.730 17.183 6.314 1.00 0.00 H new ATOM 0 HB VAL A 5 1.544 19.298 7.658 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.001 19.818 9.512 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.665 20.306 7.935 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.258 18.830 8.732 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.540 17.894 9.688 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.369 16.797 8.918 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.005 16.971 8.239 1.00 0.00 H new ATOM 72 N HIS A 6 -2.103 18.842 6.458 1.00 0.00 N ATOM 73 CA HIS A 6 -3.547 18.683 6.457 1.00 0.00 C ATOM 74 C HIS A 6 -3.941 17.575 5.478 1.00 0.00 C ATOM 75 O HIS A 6 -4.583 16.599 5.865 1.00 0.00 O ATOM 76 CB HIS A 6 -4.240 20.013 6.157 1.00 0.00 C ATOM 77 CG HIS A 6 -5.630 20.126 6.734 1.00 0.00 C ATOM 78 ND1 HIS A 6 -5.911 19.878 8.067 1.00 0.00 N ATOM 79 CD2 HIS A 6 -6.815 20.463 6.147 1.00 0.00 C ATOM 80 CE1 HIS A 6 -7.209 20.060 8.261 1.00 0.00 C ATOM 81 NE2 HIS A 6 -7.767 20.422 7.071 1.00 0.00 N ATOM 0 H HIS A 6 -1.780 19.809 6.416 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.883 18.380 7.449 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.628 20.826 6.548 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.294 20.147 5.077 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.954 20.719 5.107 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.733 19.942 9.198 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.754 20.628 6.916 1.00 0.00 H new ATOM 90 N LEU A 7 -3.540 17.762 4.230 1.00 0.00 N ATOM 91 CA LEU A 7 -3.843 16.791 3.192 1.00 0.00 C ATOM 92 C LEU A 7 -2.821 15.654 3.250 1.00 0.00 C ATOM 93 O LEU A 7 -2.195 15.326 2.244 1.00 0.00 O ATOM 94 CB LEU A 7 -3.925 17.475 1.826 1.00 0.00 C ATOM 95 CG LEU A 7 -2.589 17.850 1.182 1.00 0.00 C ATOM 96 CD1 LEU A 7 -2.457 17.226 -0.209 1.00 0.00 C ATOM 97 CD2 LEU A 7 -2.403 19.368 1.149 1.00 0.00 C ATOM 0 H LEU A 7 -3.007 18.572 3.913 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.824 16.347 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.462 16.816 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.522 18.381 1.931 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.787 17.441 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.499 17.508 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.513 16.140 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.265 17.584 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.446 19.607 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.209 19.821 0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.422 19.759 2.166 1.00 0.00 H new ATOM 109 N CYS A 8 -2.684 15.084 4.439 1.00 0.00 N ATOM 110 CA CYS A 8 -1.749 13.991 4.641 1.00 0.00 C ATOM 111 C CYS A 8 -2.343 13.036 5.678 1.00 0.00 C ATOM 112 O CYS A 8 -2.630 11.880 5.369 1.00 0.00 O ATOM 113 CB CYS A 8 -0.367 14.498 5.059 1.00 0.00 C ATOM 114 SG CYS A 8 0.858 13.143 4.946 1.00 0.00 S ATOM 0 H CYS A 8 -3.205 15.359 5.272 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.600 13.459 3.701 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.065 15.326 4.418 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.404 14.881 6.079 1.00 0.00 H new ATOM 0 HG CYS A 8 2.028 13.585 5.301 1.00 0.00 H new ATOM 120 N ALA A 9 -2.512 13.554 6.885 1.00 0.00 N ATOM 121 CA ALA A 9 -3.067 12.761 7.969 1.00 0.00 C ATOM 122 C ALA A 9 -4.418 12.188 7.535 1.00 0.00 C ATOM 123 O ALA A 9 -4.640 10.981 7.620 1.00 0.00 O ATOM 124 CB ALA A 9 -3.178 13.624 9.228 1.00 0.00 C ATOM 0 H ALA A 9 -2.274 14.513 7.137 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.413 11.922 8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.594 13.029 10.041 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.189 13.984 9.511 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.830 14.475 9.030 1.00 0.00 H new ATOM 130 N ILE A 10 -5.285 13.080 7.080 1.00 0.00 N ATOM 131 CA ILE A 10 -6.608 12.678 6.632 1.00 0.00 C ATOM 132 C ILE A 10 -6.474 11.546 5.612 1.00 0.00 C ATOM 133 O ILE A 10 -7.118 10.506 5.744 1.00 0.00 O ATOM 134 CB ILE A 10 -7.388 13.886 6.112 1.00 0.00 C ATOM 135 CG1 ILE A 10 -7.752 14.837 7.253 1.00 0.00 C ATOM 136 CG2 ILE A 10 -8.620 13.444 5.319 1.00 0.00 C ATOM 137 CD1 ILE A 10 -7.545 16.296 6.839 1.00 0.00 C ATOM 0 H ILE A 10 -5.097 14.080 7.012 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.191 12.288 7.467 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.745 14.438 5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.791 14.682 7.543 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.140 14.613 8.127 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -9.157 14.323 4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.307 12.838 4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.275 12.856 5.962 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.811 16.951 7.669 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.500 16.454 6.573 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.176 16.524 5.980 1.00 0.00 H new ATOM 149 N SER A 11 -5.633 11.786 4.616 1.00 0.00 N ATOM 150 CA SER A 11 -5.406 10.800 3.573 1.00 0.00 C ATOM 151 C SER A 11 -4.232 9.896 3.954 1.00 0.00 C ATOM 152 O SER A 11 -3.365 9.617 3.128 1.00 0.00 O ATOM 153 CB SER A 11 -5.142 11.474 2.226 1.00 0.00 C ATOM 154 OG SER A 11 -5.980 10.957 1.196 1.00 0.00 O ATOM 0 H SER A 11 -5.100 12.649 4.509 1.00 0.00 H new ATOM 0 HA SER A 11 -6.306 10.193 3.474 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.304 12.548 2.320 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.097 11.332 1.949 1.00 0.00 H new ATOM 0 HG SER A 11 -5.781 11.414 0.352 1.00 0.00 H new ATOM 160 N LEU A 12 -4.242 9.463 5.207 1.00 0.00 N ATOM 161 CA LEU A 12 -3.189 8.596 5.707 1.00 0.00 C ATOM 162 C LEU A 12 -3.741 7.181 5.885 1.00 0.00 C ATOM 163 O LEU A 12 -3.238 6.234 5.281 1.00 0.00 O ATOM 164 CB LEU A 12 -2.574 9.181 6.980 1.00 0.00 C ATOM 165 CG LEU A 12 -1.352 8.445 7.534 1.00 0.00 C ATOM 166 CD1 LEU A 12 -0.061 8.984 6.915 1.00 0.00 C ATOM 167 CD2 LEU A 12 -1.323 8.503 9.063 1.00 0.00 C ATOM 0 H LEU A 12 -4.963 9.697 5.890 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.374 8.532 4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.292 10.215 6.781 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.342 9.203 7.754 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.430 7.395 7.254 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.792 8.444 7.326 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.091 8.847 5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.037 10.045 7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.445 7.972 9.431 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.281 9.543 9.387 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.223 8.035 9.462 1.00 0.00 H new ATOM 179 N ILE A 13 -4.767 7.080 6.717 1.00 0.00 N ATOM 180 CA ILE A 13 -5.393 5.796 6.981 1.00 0.00 C ATOM 181 C ILE A 13 -5.642 5.072 5.657 1.00 0.00 C ATOM 182 O ILE A 13 -5.108 3.987 5.428 1.00 0.00 O ATOM 183 CB ILE A 13 -6.654 5.978 7.829 1.00 0.00 C ATOM 184 CG1 ILE A 13 -6.305 6.492 9.227 1.00 0.00 C ATOM 185 CG2 ILE A 13 -7.471 4.686 7.880 1.00 0.00 C ATOM 186 CD1 ILE A 13 -6.822 7.917 9.432 1.00 0.00 C ATOM 0 H ILE A 13 -5.180 7.867 7.217 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.729 5.164 7.570 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.279 6.735 7.355 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.738 5.833 9.979 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.224 6.470 9.367 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.362 4.842 8.489 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -7.767 4.403 6.870 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.867 3.891 8.318 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.561 8.258 10.434 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.369 8.578 8.694 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.906 7.931 9.315 1.00 0.00 H new ATOM 198 N ARG A 14 -6.453 5.700 4.819 1.00 0.00 N ATOM 199 CA ARG A 14 -6.779 5.130 3.523 1.00 0.00 C ATOM 200 C ARG A 14 -5.500 4.760 2.769 1.00 0.00 C ATOM 201 O ARG A 14 -5.530 3.938 1.854 1.00 0.00 O ATOM 202 CB ARG A 14 -7.595 6.111 2.679 1.00 0.00 C ATOM 203 CG ARG A 14 -8.968 5.530 2.337 1.00 0.00 C ATOM 204 CD ARG A 14 -10.004 6.641 2.156 1.00 0.00 C ATOM 205 NE ARG A 14 -11.219 6.333 2.943 1.00 0.00 N ATOM 206 CZ ARG A 14 -12.351 7.049 2.889 1.00 0.00 C ATOM 207 NH1 ARG A 14 -12.429 8.119 2.087 1.00 0.00 N ATOM 208 NH2 ARG A 14 -13.404 6.695 3.639 1.00 0.00 N ATOM 0 H ARG A 14 -6.895 6.599 5.012 1.00 0.00 H new ATOM 0 HA ARG A 14 -7.375 4.234 3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.718 7.048 3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.055 6.343 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.900 4.939 1.423 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.289 4.854 3.130 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.586 7.595 2.476 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -10.260 6.743 1.101 1.00 0.00 H new ATOM 0 HE ARG A 14 -11.193 5.525 3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -11.627 8.389 1.517 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.290 8.664 2.046 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -13.344 5.881 4.251 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -14.265 7.240 3.598 1.00 0.00 H new ATOM 222 N TYR A 15 -4.407 5.384 3.181 1.00 0.00 N ATOM 223 CA TYR A 15 -3.120 5.131 2.556 1.00 0.00 C ATOM 224 C TYR A 15 -2.154 4.465 3.539 1.00 0.00 C ATOM 225 O TYR A 15 -0.941 4.488 3.335 1.00 0.00 O ATOM 226 CB TYR A 15 -2.564 6.501 2.163 1.00 0.00 C ATOM 227 CG TYR A 15 -3.155 7.064 0.868 1.00 0.00 C ATOM 228 CD1 TYR A 15 -2.638 6.678 -0.352 1.00 0.00 C ATOM 229 CD2 TYR A 15 -4.206 7.957 0.921 1.00 0.00 C ATOM 230 CE1 TYR A 15 -3.194 7.208 -1.570 1.00 0.00 C ATOM 231 CE2 TYR A 15 -4.762 8.487 -0.297 1.00 0.00 C ATOM 232 CZ TYR A 15 -4.229 8.086 -1.482 1.00 0.00 C ATOM 233 OH TYR A 15 -4.754 8.586 -2.633 1.00 0.00 O ATOM 0 H TYR A 15 -4.386 6.065 3.940 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.234 4.465 1.700 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.754 7.205 2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.482 6.425 2.054 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.816 5.978 -0.393 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.611 8.258 1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.798 6.915 -2.531 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.584 9.187 -0.270 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.487 9.200 -2.419 1.00 0.00 H new ATOM 243 N TRP A 16 -2.728 3.888 4.584 1.00 0.00 N ATOM 244 CA TRP A 16 -1.934 3.218 5.599 1.00 0.00 C ATOM 245 C TRP A 16 -1.339 1.954 4.975 1.00 0.00 C ATOM 246 O TRP A 16 -0.184 1.615 5.232 1.00 0.00 O ATOM 247 CB TRP A 16 -2.769 2.931 6.848 1.00 0.00 C ATOM 248 CG TRP A 16 -3.437 1.555 6.848 1.00 0.00 C ATOM 249 CD1 TRP A 16 -4.501 1.154 6.140 1.00 0.00 C ATOM 250 CD2 TRP A 16 -3.039 0.406 7.626 1.00 0.00 C ATOM 251 NE1 TRP A 16 -4.817 -0.163 6.403 1.00 0.00 N ATOM 252 CE2 TRP A 16 -3.900 -0.633 7.335 1.00 0.00 C ATOM 253 CE3 TRP A 16 -1.986 0.250 8.545 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -3.797 -1.900 7.920 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -1.897 -1.023 9.121 1.00 0.00 C ATOM 256 CH2 TRP A 16 -2.755 -2.079 8.839 1.00 0.00 C ATOM 0 H TRP A 16 -3.734 3.871 4.750 1.00 0.00 H new ATOM 0 HA TRP A 16 -1.118 3.858 5.935 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.129 3.013 7.727 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.539 3.697 6.942 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -5.044 1.783 5.450 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -5.583 -0.694 5.989 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -1.301 1.049 8.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.484 -2.697 7.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -1.105 -1.196 9.835 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.619 -3.033 9.326 1.00 0.00 H new ATOM 267 N SER A 17 -2.154 1.291 4.168 1.00 0.00 N ATOM 268 CA SER A 17 -1.722 0.072 3.505 1.00 0.00 C ATOM 269 C SER A 17 -0.628 0.390 2.484 1.00 0.00 C ATOM 270 O SER A 17 -0.857 0.309 1.278 1.00 0.00 O ATOM 271 CB SER A 17 -2.898 -0.630 2.822 1.00 0.00 C ATOM 272 OG SER A 17 -2.596 -1.984 2.497 1.00 0.00 O ATOM 0 H SER A 17 -3.111 1.575 3.958 1.00 0.00 H new ATOM 0 HA SER A 17 -1.319 -0.603 4.260 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.768 -0.600 3.478 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.164 -0.090 1.913 1.00 0.00 H new ATOM 0 HG SER A 17 -3.372 -2.397 2.064 1.00 0.00 H new ATOM 278 N ILE A 18 0.537 0.746 3.004 1.00 0.00 N ATOM 279 CA ILE A 18 1.667 1.078 2.153 1.00 0.00 C ATOM 280 C ILE A 18 2.949 1.070 2.988 1.00 0.00 C ATOM 281 O ILE A 18 3.973 0.543 2.555 1.00 0.00 O ATOM 282 CB ILE A 18 1.417 2.398 1.421 1.00 0.00 C ATOM 283 CG1 ILE A 18 1.970 2.347 -0.005 1.00 0.00 C ATOM 284 CG2 ILE A 18 1.982 3.579 2.213 1.00 0.00 C ATOM 285 CD1 ILE A 18 1.052 3.093 -0.976 1.00 0.00 C ATOM 0 H ILE A 18 0.723 0.812 4.005 1.00 0.00 H new ATOM 0 HA ILE A 18 1.790 0.327 1.373 1.00 0.00 H new ATOM 0 HB ILE A 18 0.340 2.548 1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.966 2.789 -0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.074 1.309 -0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.791 4.505 1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.502 3.625 3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.056 3.449 2.343 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.468 3.042 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.064 2.634 -0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.970 4.136 -0.670 1.00 0.00 H new ATOM 297 N THR A 19 2.851 1.662 4.169 1.00 0.00 N ATOM 298 CA THR A 19 3.990 1.730 5.069 1.00 0.00 C ATOM 299 C THR A 19 4.662 0.360 5.183 1.00 0.00 C ATOM 300 O THR A 19 5.871 0.274 5.390 1.00 0.00 O ATOM 301 CB THR A 19 3.501 2.280 6.410 1.00 0.00 C ATOM 302 OG1 THR A 19 3.236 3.655 6.146 1.00 0.00 O ATOM 303 CG2 THR A 19 4.605 2.310 7.469 1.00 0.00 C ATOM 0 H THR A 19 2.000 2.099 4.524 1.00 0.00 H new ATOM 0 HA THR A 19 4.757 2.403 4.686 1.00 0.00 H new ATOM 0 HB THR A 19 2.670 1.673 6.769 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.912 4.088 6.963 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.204 2.709 8.401 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.976 1.299 7.637 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.422 2.944 7.125 1.00 0.00 H new ATOM 311 N GLN A 20 3.849 -0.676 5.043 1.00 0.00 N ATOM 312 CA GLN A 20 4.349 -2.038 5.128 1.00 0.00 C ATOM 313 C GLN A 20 5.634 -2.182 4.309 1.00 0.00 C ATOM 314 O GLN A 20 6.466 -3.041 4.599 1.00 0.00 O ATOM 315 CB GLN A 20 3.290 -3.041 4.668 1.00 0.00 C ATOM 316 CG GLN A 20 2.410 -3.485 5.838 1.00 0.00 C ATOM 317 CD GLN A 20 2.096 -4.980 5.752 1.00 0.00 C ATOM 318 OE1 GLN A 20 2.374 -5.643 4.766 1.00 0.00 O ATOM 319 NE2 GLN A 20 1.504 -5.472 6.836 1.00 0.00 N ATOM 0 H GLN A 20 2.846 -0.600 4.871 1.00 0.00 H new ATOM 0 HA GLN A 20 4.579 -2.256 6.171 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.670 -2.591 3.893 1.00 0.00 H new ATOM 0 HB3 GLN A 20 3.776 -3.910 4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.915 -3.270 6.780 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.481 -2.914 5.836 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.299 -4.861 7.627 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.254 -6.460 6.877 1.00 0.00 H new ATOM 328 N ALA A 21 5.755 -1.330 3.302 1.00 0.00 N ATOM 329 CA ALA A 21 6.924 -1.352 2.439 1.00 0.00 C ATOM 330 C ALA A 21 7.574 0.033 2.432 1.00 0.00 C ATOM 331 O ALA A 21 7.556 0.726 1.417 1.00 0.00 O ATOM 332 CB ALA A 21 6.517 -1.812 1.038 1.00 0.00 C ATOM 0 H ALA A 21 5.063 -0.620 3.064 1.00 0.00 H new ATOM 0 HA ALA A 21 7.663 -2.061 2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.394 -1.828 0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.089 -2.813 1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.778 -1.123 0.629 1.00 0.00 H new ATOM 338 N ILE A 22 8.134 0.395 3.578 1.00 0.00 N ATOM 339 CA ILE A 22 8.788 1.684 3.716 1.00 0.00 C ATOM 340 C ILE A 22 9.897 1.579 4.765 1.00 0.00 C ATOM 341 O ILE A 22 11.080 1.614 4.429 1.00 0.00 O ATOM 342 CB ILE A 22 7.760 2.777 4.017 1.00 0.00 C ATOM 343 CG1 ILE A 22 6.821 2.988 2.827 1.00 0.00 C ATOM 344 CG2 ILE A 22 8.449 4.076 4.440 1.00 0.00 C ATOM 345 CD1 ILE A 22 5.862 4.152 3.086 1.00 0.00 C ATOM 0 H ILE A 22 8.148 -0.183 4.419 1.00 0.00 H new ATOM 0 HA ILE A 22 9.262 1.973 2.778 1.00 0.00 H new ATOM 0 HB ILE A 22 7.148 2.449 4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.405 3.186 1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.252 2.077 2.642 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.696 4.836 4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.042 3.898 5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.100 4.421 3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.206 4.281 2.225 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.262 3.939 3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.434 5.066 3.246 1.00 0.00 H new ATOM 357 N GLU A 23 9.476 1.451 6.015 1.00 0.00 N ATOM 358 CA GLU A 23 10.419 1.340 7.114 1.00 0.00 C ATOM 359 C GLU A 23 10.959 -0.089 7.208 1.00 0.00 C ATOM 360 O GLU A 23 12.098 -0.299 7.623 1.00 0.00 O ATOM 361 CB GLU A 23 9.775 1.770 8.434 1.00 0.00 C ATOM 362 CG GLU A 23 8.467 1.015 8.678 1.00 0.00 C ATOM 363 CD GLU A 23 8.378 0.526 10.125 1.00 0.00 C ATOM 364 OE1 GLU A 23 8.071 1.372 10.992 1.00 0.00 O ATOM 365 OE2 GLU A 23 8.618 -0.683 10.331 1.00 0.00 O ATOM 0 H GLU A 23 8.494 1.422 6.291 1.00 0.00 H new ATOM 0 HA GLU A 23 11.255 2.012 6.919 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.465 1.584 9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.582 2.843 8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.621 1.666 8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.401 0.165 7.998 1.00 0.00 H new ATOM 372 N TYR A 24 10.117 -1.033 6.816 1.00 0.00 N ATOM 373 CA TYR A 24 10.496 -2.435 6.850 1.00 0.00 C ATOM 374 C TYR A 24 11.600 -2.730 5.833 1.00 0.00 C ATOM 375 O TYR A 24 12.630 -3.305 6.179 1.00 0.00 O ATOM 376 CB TYR A 24 9.240 -3.221 6.465 1.00 0.00 C ATOM 377 CG TYR A 24 8.402 -3.680 7.660 1.00 0.00 C ATOM 378 CD1 TYR A 24 9.000 -4.360 8.701 1.00 0.00 C ATOM 379 CD2 TYR A 24 7.049 -3.413 7.696 1.00 0.00 C ATOM 380 CE1 TYR A 24 8.211 -4.792 9.826 1.00 0.00 C ATOM 381 CE2 TYR A 24 6.260 -3.845 8.821 1.00 0.00 C ATOM 382 CZ TYR A 24 6.880 -4.513 9.830 1.00 0.00 C ATOM 383 OH TYR A 24 6.135 -4.921 10.892 1.00 0.00 O ATOM 0 H TYR A 24 9.173 -0.855 6.473 1.00 0.00 H new ATOM 0 HA TYR A 24 10.873 -2.707 7.836 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.621 -2.601 5.817 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.535 -4.095 5.884 1.00 0.00 H new ATOM 0 HD1 TYR A 24 10.059 -4.568 8.672 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.582 -2.880 6.881 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.666 -5.325 10.648 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.200 -3.643 8.862 1.00 0.00 H new ATOM 0 HH TYR A 24 5.202 -4.652 10.760 1.00 0.00 H new ATOM 393 N ASN A 25 11.346 -2.323 4.598 1.00 0.00 N ATOM 394 CA ASN A 25 12.306 -2.536 3.528 1.00 0.00 C ATOM 395 C ASN A 25 13.688 -2.069 3.987 1.00 0.00 C ATOM 396 O ASN A 25 14.669 -2.801 3.860 1.00 0.00 O ATOM 397 CB ASN A 25 11.927 -1.736 2.280 1.00 0.00 C ATOM 398 CG ASN A 25 12.616 -2.300 1.036 1.00 0.00 C ATOM 399 OD1 ASN A 25 13.777 -2.041 0.767 1.00 0.00 O ATOM 400 ND2 ASN A 25 11.837 -3.084 0.295 1.00 0.00 N ATOM 0 H ASN A 25 10.490 -1.847 4.314 1.00 0.00 H new ATOM 0 HA ASN A 25 12.311 -3.599 3.287 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.846 -1.760 2.143 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.209 -0.692 2.414 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.204 -3.510 -0.556 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.873 -3.259 0.578 1.00 0.00 H new ATOM 407 N LEU A 26 13.722 -0.853 4.512 1.00 0.00 N ATOM 408 CA LEU A 26 14.968 -0.279 4.992 1.00 0.00 C ATOM 409 C LEU A 26 15.747 -1.341 5.771 1.00 0.00 C ATOM 410 O LEU A 26 16.897 -1.635 5.447 1.00 0.00 O ATOM 411 CB LEU A 26 14.698 0.996 5.793 1.00 0.00 C ATOM 412 CG LEU A 26 15.813 2.044 5.782 1.00 0.00 C ATOM 413 CD1 LEU A 26 15.363 3.330 6.478 1.00 0.00 C ATOM 414 CD2 LEU A 26 17.099 1.482 6.392 1.00 0.00 C ATOM 0 H LEU A 26 12.907 -0.249 4.616 1.00 0.00 H new ATOM 0 HA LEU A 26 15.594 0.026 4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.789 1.458 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.500 0.716 6.828 1.00 0.00 H new ATOM 0 HG LEU A 26 16.033 2.299 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.174 4.058 6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.494 3.738 5.961 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.100 3.111 7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.876 2.247 6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.912 1.182 7.423 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.427 0.617 5.816 1.00 0.00 H new ATOM 426 N LYS A 27 15.089 -1.888 6.783 1.00 0.00 N ATOM 427 CA LYS A 27 15.705 -2.911 7.611 1.00 0.00 C ATOM 428 C LYS A 27 14.688 -4.020 7.885 1.00 0.00 C ATOM 429 O LYS A 27 13.898 -3.924 8.823 1.00 0.00 O ATOM 430 CB LYS A 27 16.296 -2.290 8.878 1.00 0.00 C ATOM 431 CG LYS A 27 16.833 -3.371 9.819 1.00 0.00 C ATOM 432 CD LYS A 27 16.479 -3.057 11.273 1.00 0.00 C ATOM 433 CE LYS A 27 17.729 -3.065 12.156 1.00 0.00 C ATOM 434 NZ LYS A 27 17.379 -3.435 13.546 1.00 0.00 N ATOM 0 H LYS A 27 14.135 -1.642 7.048 1.00 0.00 H new ATOM 0 HA LYS A 27 16.544 -3.371 7.088 1.00 0.00 H new ATOM 0 HB2 LYS A 27 17.100 -1.604 8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.533 -1.703 9.390 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.417 -4.339 9.541 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.915 -3.446 9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.995 -2.082 11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.763 -3.791 11.643 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.458 -3.771 11.758 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.198 -2.081 12.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.238 -3.436 14.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.700 -2.746 13.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.953 -4.383 13.556 1.00 0.00 H new ATOM 448 N ARG A 28 14.740 -5.047 7.050 1.00 0.00 N ATOM 449 CA ARG A 28 13.833 -6.173 7.192 1.00 0.00 C ATOM 450 C ARG A 28 14.527 -7.327 7.918 1.00 0.00 C ATOM 451 O ARG A 28 15.755 -7.382 7.971 1.00 0.00 O ATOM 452 CB ARG A 28 13.342 -6.660 5.827 1.00 0.00 C ATOM 453 CG ARG A 28 12.054 -7.474 5.965 1.00 0.00 C ATOM 454 CD ARG A 28 11.457 -7.793 4.593 1.00 0.00 C ATOM 455 NE ARG A 28 12.078 -9.019 4.044 1.00 0.00 N ATOM 456 CZ ARG A 28 13.228 -9.036 3.358 1.00 0.00 C ATOM 457 NH1 ARG A 28 13.891 -7.893 3.132 1.00 0.00 N ATOM 458 NH2 ARG A 28 13.717 -10.195 2.897 1.00 0.00 N ATOM 0 H ARG A 28 15.396 -5.123 6.273 1.00 0.00 H new ATOM 0 HA ARG A 28 12.976 -5.836 7.775 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.168 -5.805 5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.113 -7.270 5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.261 -8.401 6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.330 -6.918 6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.379 -7.929 4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.620 -6.957 3.913 1.00 0.00 H new ATOM 0 HE ARG A 28 11.600 -9.907 4.198 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.520 -7.010 3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.767 -7.906 2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.213 -11.065 3.068 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.593 -10.207 2.375 1.00 0.00 H new ATOM 472 N THR A 29 13.712 -8.220 8.459 1.00 0.00 N ATOM 473 CA THR A 29 14.233 -9.369 9.180 1.00 0.00 C ATOM 474 C THR A 29 15.021 -8.915 10.410 1.00 0.00 C ATOM 475 O THR A 29 16.244 -9.046 10.451 1.00 0.00 O ATOM 476 CB THR A 29 15.061 -10.205 8.202 1.00 0.00 C ATOM 477 OG1 THR A 29 14.091 -10.782 7.331 1.00 0.00 O ATOM 478 CG2 THR A 29 15.721 -11.410 8.875 1.00 0.00 C ATOM 0 H THR A 29 12.694 -8.171 8.413 1.00 0.00 H new ATOM 0 HA THR A 29 13.427 -9.994 9.563 1.00 0.00 H new ATOM 0 HB THR A 29 15.828 -9.578 7.748 1.00 0.00 H new ATOM 0 HG1 THR A 29 14.542 -11.340 6.663 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.296 -11.969 8.137 1.00 0.00 H new ATOM 0 HG22 THR A 29 16.385 -11.065 9.668 1.00 0.00 H new ATOM 0 HG23 THR A 29 14.952 -12.055 9.301 1.00 0.00 H new ATOM 486 N PRO A 30 14.270 -8.376 11.407 1.00 0.00 N ATOM 487 CA PRO A 30 14.886 -7.902 12.635 1.00 0.00 C ATOM 488 C PRO A 30 15.297 -9.072 13.530 1.00 0.00 C ATOM 489 O PRO A 30 14.812 -10.190 13.359 1.00 0.00 O ATOM 490 CB PRO A 30 13.842 -7.002 13.276 1.00 0.00 C ATOM 491 CG PRO A 30 12.518 -7.371 12.628 1.00 0.00 C ATOM 492 CD PRO A 30 12.820 -8.205 11.393 1.00 0.00 C ATOM 0 HA PRO A 30 15.811 -7.354 12.457 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.805 -7.154 14.355 1.00 0.00 H new ATOM 0 HB3 PRO A 30 14.078 -5.951 13.111 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.895 -7.932 13.325 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.963 -6.473 12.356 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.307 -9.166 11.429 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.489 -7.702 10.485 1.00 0.00 H new ATOM 500 N ARG A 31 16.188 -8.776 14.465 1.00 0.00 N ATOM 501 CA ARG A 31 16.670 -9.790 15.388 1.00 0.00 C ATOM 502 C ARG A 31 17.159 -11.018 14.618 1.00 0.00 C ATOM 503 O ARG A 31 16.356 -11.839 14.176 1.00 0.00 O ATOM 504 CB ARG A 31 15.571 -10.213 16.365 1.00 0.00 C ATOM 505 CG ARG A 31 16.124 -11.153 17.438 1.00 0.00 C ATOM 506 CD ARG A 31 15.264 -11.108 18.702 1.00 0.00 C ATOM 507 NE ARG A 31 15.347 -9.766 19.323 1.00 0.00 N ATOM 508 CZ ARG A 31 14.437 -9.276 20.176 1.00 0.00 C ATOM 509 NH1 ARG A 31 13.371 -10.013 20.515 1.00 0.00 N ATOM 510 NH2 ARG A 31 14.594 -8.048 20.690 1.00 0.00 N ATOM 0 H ARG A 31 16.589 -7.848 14.603 1.00 0.00 H new ATOM 0 HA ARG A 31 17.496 -9.358 15.953 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.139 -9.330 16.837 1.00 0.00 H new ATOM 0 HB3 ARG A 31 14.767 -10.709 15.821 1.00 0.00 H new ATOM 0 HG2 ARG A 31 16.157 -12.172 17.052 1.00 0.00 H new ATOM 0 HG3 ARG A 31 17.149 -10.871 17.681 1.00 0.00 H new ATOM 0 HD2 ARG A 31 14.228 -11.340 18.455 1.00 0.00 H new ATOM 0 HD3 ARG A 31 15.601 -11.866 19.409 1.00 0.00 H new ATOM 0 HE ARG A 31 16.146 -9.178 19.087 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.252 -10.947 20.124 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.679 -9.640 21.164 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.406 -7.487 20.432 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.902 -7.675 21.339 1.00 0.00 H new ATOM 524 N ARG A 32 18.474 -11.106 14.480 1.00 0.00 N ATOM 525 CA ARG A 32 19.079 -12.221 13.771 1.00 0.00 C ATOM 526 C ARG A 32 20.604 -12.101 13.797 1.00 0.00 C ATOM 527 O ARG A 32 21.206 -12.025 14.867 1.00 0.00 O ATOM 528 CB ARG A 32 18.603 -12.273 12.317 1.00 0.00 C ATOM 529 CG ARG A 32 19.148 -13.513 11.606 1.00 0.00 C ATOM 530 CD ARG A 32 19.927 -13.125 10.347 1.00 0.00 C ATOM 531 NE ARG A 32 19.947 -14.258 9.396 1.00 0.00 N ATOM 532 CZ ARG A 32 18.863 -14.730 8.766 1.00 0.00 C ATOM 533 NH1 ARG A 32 17.665 -14.169 8.982 1.00 0.00 N ATOM 534 NH2 ARG A 32 18.976 -15.762 7.919 1.00 0.00 N ATOM 0 H ARG A 32 19.137 -10.424 14.847 1.00 0.00 H new ATOM 0 HA ARG A 32 18.774 -13.139 14.274 1.00 0.00 H new ATOM 0 HB2 ARG A 32 17.513 -12.282 12.287 1.00 0.00 H new ATOM 0 HB3 ARG A 32 18.929 -11.375 11.792 1.00 0.00 H new ATOM 0 HG2 ARG A 32 19.797 -14.069 12.283 1.00 0.00 H new ATOM 0 HG3 ARG A 32 18.324 -14.175 11.339 1.00 0.00 H new ATOM 0 HD2 ARG A 32 19.468 -12.254 9.879 1.00 0.00 H new ATOM 0 HD3 ARG A 32 20.946 -12.844 10.612 1.00 0.00 H new ATOM 0 HE ARG A 32 20.843 -14.708 9.208 1.00 0.00 H new ATOM 0 HH11 ARG A 32 17.579 -13.383 9.626 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.840 -14.528 8.502 1.00 0.00 H new ATOM 0 HH21 ARG A 32 19.888 -16.189 7.754 1.00 0.00 H new ATOM 0 HH22 ARG A 32 18.150 -16.121 7.440 1.00 0.00 H new TER 548 ARG A 32