USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 255 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 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 172:sc= -4.91! (180deg=-5.2!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS :FLIP no HE2:sc= -5.02! C(o=-8.8!,f=-5!) USER MOD Single : A 15 SER OG : rot 180:sc= -0.109 USER MOD Single : A 16 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.022) USER MOD Single : A 22 SER OG : rot 180:sc= -0.11 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -2.55 K(o=-2.5,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.489 7.946 -4.940 1.00 0.00 N ATOM 2 CA LEU A 1 2.644 6.758 -5.201 1.00 0.00 C ATOM 3 C LEU A 1 1.169 7.068 -4.949 1.00 0.00 C ATOM 4 O LEU A 1 0.833 8.040 -4.264 1.00 0.00 O ATOM 5 CB LEU A 1 3.127 5.576 -4.344 1.00 0.00 C ATOM 6 CG LEU A 1 3.482 5.882 -2.884 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.775 6.679 -2.792 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.349 6.626 -2.202 1.00 0.00 C ATOM 0 H1 LEU A 1 4.492 7.675 -4.986 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.294 8.675 -5.656 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.275 8.323 -3.995 1.00 0.00 H new ATOM 0 HA LEU A 1 2.738 6.482 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.351 4.811 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.005 5.144 -4.824 1.00 0.00 H new ATOM 0 HG LEU A 1 3.632 4.933 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 1 5.003 6.882 -1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.588 6.105 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.661 7.621 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.621 6.833 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.164 7.565 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.447 6.015 -2.224 1.00 0.00 H new ATOM 22 N PHE A 2 0.297 6.255 -5.534 1.00 0.00 N ATOM 23 CA PHE A 2 -1.147 6.437 -5.417 1.00 0.00 C ATOM 24 C PHE A 2 -1.620 6.429 -3.964 1.00 0.00 C ATOM 25 O PHE A 2 -0.969 5.861 -3.082 1.00 0.00 O ATOM 26 CB PHE A 2 -1.890 5.356 -6.206 1.00 0.00 C ATOM 27 CG PHE A 2 -1.781 5.498 -7.703 1.00 0.00 C ATOM 28 CD1 PHE A 2 -0.545 5.620 -8.325 1.00 0.00 C ATOM 29 CD2 PHE A 2 -2.922 5.506 -8.491 1.00 0.00 C ATOM 30 CE1 PHE A 2 -0.453 5.748 -9.697 1.00 0.00 C ATOM 31 CE2 PHE A 2 -2.835 5.634 -9.864 1.00 0.00 C ATOM 32 CZ PHE A 2 -1.599 5.755 -10.468 1.00 0.00 C ATOM 0 H PHE A 2 0.569 5.453 -6.102 1.00 0.00 H new ATOM 0 HA PHE A 2 -1.375 7.418 -5.834 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -1.503 4.379 -5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -2.943 5.377 -5.926 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.355 5.615 -7.728 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -3.892 5.411 -8.025 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.515 5.843 -10.167 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -3.733 5.639 -10.464 1.00 0.00 H new ATOM 0 HZ PHE A 2 -1.529 5.855 -11.541 1.00 0.00 H new ATOM 42 N CYS A 3 -2.765 7.070 -3.741 1.00 0.00 N ATOM 43 CA CYS A 3 -3.381 7.164 -2.421 1.00 0.00 C ATOM 44 C CYS A 3 -2.359 7.516 -1.352 1.00 0.00 C ATOM 45 O CYS A 3 -2.450 7.058 -0.212 1.00 0.00 O ATOM 46 CB CYS A 3 -4.103 5.857 -2.066 1.00 0.00 C ATOM 47 SG CYS A 3 -3.059 4.362 -2.137 1.00 0.00 S ATOM 0 H CYS A 3 -3.294 7.541 -4.475 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.115 7.969 -2.456 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.515 5.948 -1.061 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.945 5.727 -2.746 1.00 0.00 H new ATOM 52 N LYS A 4 -1.390 8.342 -1.723 1.00 0.00 N ATOM 53 CA LYS A 4 -0.350 8.763 -0.796 1.00 0.00 C ATOM 54 C LYS A 4 0.115 7.586 0.046 1.00 0.00 C ATOM 55 O LYS A 4 0.406 7.732 1.233 1.00 0.00 O ATOM 56 CB LYS A 4 -0.853 9.888 0.113 1.00 0.00 C ATOM 57 CG LYS A 4 -1.228 11.156 -0.633 1.00 0.00 C ATOM 58 CD LYS A 4 -1.662 12.262 0.317 1.00 0.00 C ATOM 59 CE LYS A 4 -0.561 12.625 1.304 1.00 0.00 C ATOM 60 NZ LYS A 4 -0.873 13.871 2.048 1.00 0.00 N ATOM 0 H LYS A 4 -1.303 8.734 -2.661 1.00 0.00 H new ATOM 0 HA LYS A 4 0.491 9.138 -1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.722 9.533 0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.081 10.123 0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.377 11.496 -1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.035 10.941 -1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.941 13.145 -0.257 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.550 11.944 0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.422 11.806 2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 4 0.380 12.748 0.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.099 14.083 2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.981 14.658 1.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.758 13.746 2.580 1.00 0.00 H new ATOM 74 N GLY A 5 0.180 6.421 -0.577 1.00 0.00 N ATOM 75 CA GLY A 5 0.609 5.232 0.121 1.00 0.00 C ATOM 76 C GLY A 5 1.184 4.193 -0.816 1.00 0.00 C ATOM 77 O GLY A 5 2.305 3.730 -0.623 1.00 0.00 O ATOM 0 H GLY A 5 -0.058 6.279 -1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.358 5.501 0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.237 4.804 0.659 1.00 0.00 H new ATOM 81 N GLY A 6 0.425 3.829 -1.836 1.00 0.00 N ATOM 82 CA GLY A 6 0.893 2.841 -2.785 1.00 0.00 C ATOM 83 C GLY A 6 -0.218 1.932 -3.251 1.00 0.00 C ATOM 84 O GLY A 6 -1.346 2.379 -3.463 1.00 0.00 O ATOM 0 H GLY A 6 -0.507 4.199 -2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.333 3.345 -3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 6 1.682 2.244 -2.327 1.00 0.00 H new ATOM 88 N SER A 7 0.094 0.657 -3.393 1.00 0.00 N ATOM 89 CA SER A 7 -0.881 -0.327 -3.822 1.00 0.00 C ATOM 90 C SER A 7 -1.925 -0.528 -2.731 1.00 0.00 C ATOM 91 O SER A 7 -1.598 -0.937 -1.618 1.00 0.00 O ATOM 92 CB SER A 7 -0.174 -1.647 -4.131 1.00 0.00 C ATOM 93 OG SER A 7 0.951 -1.434 -4.972 1.00 0.00 O ATOM 0 H SER A 7 1.024 0.277 -3.216 1.00 0.00 H new ATOM 0 HA SER A 7 -1.381 0.026 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.145 -2.119 -3.202 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.870 -2.333 -4.614 1.00 0.00 H new ATOM 0 HG SER A 7 1.389 -2.291 -5.155 1.00 0.00 H new ATOM 99 N CYS A 8 -3.176 -0.239 -3.037 1.00 0.00 N ATOM 100 CA CYS A 8 -4.234 -0.397 -2.057 1.00 0.00 C ATOM 101 C CYS A 8 -4.333 -1.859 -1.637 1.00 0.00 C ATOM 102 O CYS A 8 -4.349 -2.752 -2.486 1.00 0.00 O ATOM 103 CB CYS A 8 -5.568 0.088 -2.619 1.00 0.00 C ATOM 104 SG CYS A 8 -5.479 1.698 -3.475 1.00 0.00 S ATOM 0 H CYS A 8 -3.483 0.103 -3.948 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.996 0.209 -1.183 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.950 -0.660 -3.314 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.288 0.162 -1.804 1.00 0.00 H new ATOM 109 N HIS A 9 -4.373 -2.099 -0.331 1.00 0.00 N ATOM 110 CA HIS A 9 -4.443 -3.456 0.203 1.00 0.00 C ATOM 111 C HIS A 9 -5.664 -4.218 -0.301 1.00 0.00 C ATOM 112 O HIS A 9 -6.628 -4.416 0.434 1.00 0.00 O ATOM 113 CB HIS A 9 -4.446 -3.447 1.736 1.00 0.00 C ATOM 114 CG HIS A 9 -3.107 -3.704 2.352 1.00 0.00 C ATOM 115 ND1 HIS A 9 -1.889 -3.865 1.790 1.00 0.00 N flip ATOM 116 CD2 HIS A 9 -2.920 -3.835 3.710 1.00 0.00 C flip ATOM 117 CE1 HIS A 9 -0.996 -4.091 2.808 1.00 0.00 C flip ATOM 118 NE2 HIS A 9 -1.646 -4.066 3.956 1.00 0.00 N flip ATOM 0 H HIS A 9 -4.358 -1.369 0.381 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.552 -3.971 -0.156 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.814 -2.481 2.082 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.148 -4.201 2.092 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -1.673 -3.826 0.794 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.696 -3.760 4.457 1.00 0.00 H new ATOM 0 HE1 HIS A 9 0.064 -4.261 2.689 1.00 0.00 H new ATOM 127 N PHE A 10 -5.607 -4.672 -1.540 1.00 0.00 N ATOM 128 CA PHE A 10 -6.692 -5.452 -2.112 1.00 0.00 C ATOM 129 C PHE A 10 -6.647 -6.856 -1.519 1.00 0.00 C ATOM 130 O PHE A 10 -6.231 -7.816 -2.174 1.00 0.00 O ATOM 131 CB PHE A 10 -6.587 -5.501 -3.641 1.00 0.00 C ATOM 132 CG PHE A 10 -7.239 -4.335 -4.336 1.00 0.00 C ATOM 133 CD1 PHE A 10 -7.287 -3.082 -3.741 1.00 0.00 C ATOM 134 CD2 PHE A 10 -7.816 -4.499 -5.586 1.00 0.00 C ATOM 135 CE1 PHE A 10 -7.896 -2.019 -4.382 1.00 0.00 C ATOM 136 CE2 PHE A 10 -8.427 -3.439 -6.229 1.00 0.00 C ATOM 137 CZ PHE A 10 -8.467 -2.198 -5.626 1.00 0.00 C ATOM 0 H PHE A 10 -4.821 -4.514 -2.171 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.645 -4.982 -1.870 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.534 -5.536 -3.922 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.043 -6.425 -3.997 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.844 -2.936 -2.767 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.788 -5.467 -6.063 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.925 -1.048 -3.909 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -8.873 -3.582 -7.202 1.00 0.00 H new ATOM 0 HZ PHE A 10 -8.944 -1.368 -6.127 1.00 0.00 H new ATOM 147 N GLY A 11 -7.028 -6.956 -0.252 1.00 0.00 N ATOM 148 CA GLY A 11 -6.990 -8.228 0.441 1.00 0.00 C ATOM 149 C GLY A 11 -5.612 -8.501 1.004 1.00 0.00 C ATOM 150 O GLY A 11 -5.463 -9.188 2.017 1.00 0.00 O ATOM 0 H GLY A 11 -7.364 -6.174 0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.722 -8.228 1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.271 -9.028 -0.244 1.00 0.00 H new ATOM 154 N GLY A 12 -4.608 -7.947 0.341 1.00 0.00 N ATOM 155 CA GLY A 12 -3.233 -8.114 0.763 1.00 0.00 C ATOM 156 C GLY A 12 -2.322 -7.125 0.067 1.00 0.00 C ATOM 157 O GLY A 12 -2.549 -5.917 0.131 1.00 0.00 O ATOM 0 H GLY A 12 -4.725 -7.375 -0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.162 -7.980 1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.904 -9.130 0.546 1.00 0.00 H new ATOM 161 N CYS A 13 -1.305 -7.632 -0.607 1.00 0.00 N ATOM 162 CA CYS A 13 -0.359 -6.795 -1.330 1.00 0.00 C ATOM 163 C CYS A 13 0.414 -7.661 -2.323 1.00 0.00 C ATOM 164 O CYS A 13 0.532 -8.873 -2.136 1.00 0.00 O ATOM 165 CB CYS A 13 0.613 -6.111 -0.359 1.00 0.00 C ATOM 166 SG CYS A 13 1.371 -4.568 -0.972 1.00 0.00 S ATOM 0 H CYS A 13 -1.110 -8.631 -0.670 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.905 -6.018 -1.865 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.082 -5.892 0.567 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.409 -6.814 -0.112 1.00 0.00 H new ATOM 171 N PRO A 14 0.950 -7.052 -3.384 1.00 0.00 N ATOM 172 CA PRO A 14 1.718 -7.760 -4.413 1.00 0.00 C ATOM 173 C PRO A 14 2.867 -8.560 -3.816 1.00 0.00 C ATOM 174 O PRO A 14 3.203 -9.646 -4.292 1.00 0.00 O ATOM 175 CB PRO A 14 2.261 -6.634 -5.297 1.00 0.00 C ATOM 176 CG PRO A 14 1.346 -5.483 -5.066 1.00 0.00 C ATOM 177 CD PRO A 14 0.859 -5.615 -3.651 1.00 0.00 C ATOM 0 HA PRO A 14 1.106 -8.483 -4.952 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.287 -6.382 -5.028 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.269 -6.926 -6.347 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.866 -4.536 -5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.513 -5.501 -5.768 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.476 -5.040 -2.960 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.163 -5.252 -3.544 1.00 0.00 H new ATOM 185 N SER A 15 3.468 -8.009 -2.773 1.00 0.00 N ATOM 186 CA SER A 15 4.586 -8.652 -2.100 1.00 0.00 C ATOM 187 C SER A 15 4.607 -8.256 -0.627 1.00 0.00 C ATOM 188 O SER A 15 5.656 -7.947 -0.065 1.00 0.00 O ATOM 189 CB SER A 15 5.901 -8.258 -2.779 1.00 0.00 C ATOM 190 OG SER A 15 5.839 -8.484 -4.179 1.00 0.00 O ATOM 0 H SER A 15 3.198 -7.111 -2.372 1.00 0.00 H new ATOM 0 HA SER A 15 4.469 -9.734 -2.167 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.113 -7.206 -2.586 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.722 -8.833 -2.350 1.00 0.00 H new ATOM 0 HG SER A 15 6.689 -8.223 -4.590 1.00 0.00 H new ATOM 196 N HIS A 16 3.430 -8.266 -0.011 1.00 0.00 N ATOM 197 CA HIS A 16 3.294 -7.910 1.400 1.00 0.00 C ATOM 198 C HIS A 16 4.041 -6.615 1.707 1.00 0.00 C ATOM 199 O HIS A 16 4.769 -6.522 2.695 1.00 0.00 O ATOM 200 CB HIS A 16 3.809 -9.037 2.301 1.00 0.00 C ATOM 201 CG HIS A 16 3.078 -10.334 2.133 1.00 0.00 C ATOM 202 ND1 HIS A 16 3.325 -11.443 2.910 1.00 0.00 N ATOM 203 CD2 HIS A 16 2.099 -10.695 1.270 1.00 0.00 C ATOM 204 CE1 HIS A 16 2.532 -12.427 2.534 1.00 0.00 C ATOM 205 NE2 HIS A 16 1.775 -12.000 1.541 1.00 0.00 N ATOM 0 H HIS A 16 2.553 -8.517 -0.467 1.00 0.00 H new ATOM 0 HA HIS A 16 2.234 -7.759 1.603 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.867 -9.199 2.094 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.732 -8.721 3.341 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.655 -10.071 0.509 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.506 -13.416 2.966 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.066 -12.550 1.055 1.00 0.00 H new ATOM 214 N LEU A 17 3.853 -5.620 0.855 1.00 0.00 N ATOM 215 CA LEU A 17 4.504 -4.328 1.029 1.00 0.00 C ATOM 216 C LEU A 17 4.009 -3.661 2.312 1.00 0.00 C ATOM 217 O LEU A 17 2.871 -3.876 2.730 1.00 0.00 O ATOM 218 CB LEU A 17 4.224 -3.426 -0.177 1.00 0.00 C ATOM 219 CG LEU A 17 4.342 -4.099 -1.545 1.00 0.00 C ATOM 220 CD1 LEU A 17 3.887 -3.151 -2.643 1.00 0.00 C ATOM 221 CD2 LEU A 17 5.768 -4.570 -1.794 1.00 0.00 C ATOM 0 H LEU A 17 3.253 -5.681 0.033 1.00 0.00 H new ATOM 0 HA LEU A 17 5.580 -4.484 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.218 -3.018 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.914 -2.583 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 17 3.692 -4.974 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.977 -3.645 -3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.847 -2.871 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.510 -2.257 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.828 -5.046 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.444 -3.715 -1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.054 -5.287 -1.024 1.00 0.00 H new ATOM 233 N ILE A 18 4.856 -2.861 2.938 1.00 0.00 N ATOM 234 CA ILE A 18 4.481 -2.180 4.172 1.00 0.00 C ATOM 235 C ILE A 18 3.423 -1.114 3.901 1.00 0.00 C ATOM 236 O ILE A 18 3.466 -0.434 2.874 1.00 0.00 O ATOM 237 CB ILE A 18 5.698 -1.522 4.858 1.00 0.00 C ATOM 238 CG1 ILE A 18 6.280 -0.406 3.982 1.00 0.00 C ATOM 239 CG2 ILE A 18 6.760 -2.571 5.162 1.00 0.00 C ATOM 240 CD1 ILE A 18 7.369 0.395 4.663 1.00 0.00 C ATOM 0 H ILE A 18 5.804 -2.666 2.616 1.00 0.00 H new ATOM 0 HA ILE A 18 4.075 -2.939 4.841 1.00 0.00 H new ATOM 0 HB ILE A 18 5.366 -1.077 5.796 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.681 -0.845 3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.476 0.268 3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.613 -2.095 5.646 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.343 -3.329 5.825 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.084 -3.040 4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.733 1.166 3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.968 0.863 5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.191 -0.267 4.935 1.00 0.00 H new ATOM 252 N LYS A 19 2.475 -0.963 4.817 1.00 0.00 N ATOM 253 CA LYS A 19 1.431 0.035 4.652 1.00 0.00 C ATOM 254 C LYS A 19 2.035 1.431 4.680 1.00 0.00 C ATOM 255 O LYS A 19 2.319 1.977 5.749 1.00 0.00 O ATOM 256 CB LYS A 19 0.366 -0.081 5.741 1.00 0.00 C ATOM 257 CG LYS A 19 -0.672 1.030 5.673 1.00 0.00 C ATOM 258 CD LYS A 19 -1.645 0.961 6.835 1.00 0.00 C ATOM 259 CE LYS A 19 -2.739 2.013 6.718 1.00 0.00 C ATOM 260 NZ LYS A 19 -3.756 1.872 7.791 1.00 0.00 N ATOM 0 H LYS A 19 2.409 -1.514 5.673 1.00 0.00 H new ATOM 0 HA LYS A 19 0.954 -0.142 3.688 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.134 -1.045 5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.849 -0.061 6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.170 1.998 5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.221 0.958 4.734 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.096 -0.030 6.873 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.104 1.101 7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.294 3.007 6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.223 1.928 5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.484 2.606 7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.198 0.933 7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.299 1.979 8.719 1.00 0.00 H new ATOM 274 N VAL A 20 2.229 1.999 3.508 1.00 0.00 N ATOM 275 CA VAL A 20 2.794 3.325 3.384 1.00 0.00 C ATOM 276 C VAL A 20 1.691 4.380 3.408 1.00 0.00 C ATOM 277 O VAL A 20 1.965 5.581 3.430 1.00 0.00 O ATOM 278 CB VAL A 20 3.632 3.428 2.093 1.00 0.00 C ATOM 279 CG1 VAL A 20 4.038 4.862 1.799 1.00 0.00 C ATOM 280 CG2 VAL A 20 4.863 2.540 2.197 1.00 0.00 C ATOM 0 H VAL A 20 2.000 1.556 2.618 1.00 0.00 H new ATOM 0 HA VAL A 20 3.452 3.508 4.233 1.00 0.00 H new ATOM 0 HB VAL A 20 3.011 3.086 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.627 4.893 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.145 5.475 1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.634 5.248 2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.448 2.620 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.471 2.858 3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.554 1.505 2.341 1.00 0.00 H new ATOM 290 N GLY A 21 0.440 3.924 3.426 1.00 0.00 N ATOM 291 CA GLY A 21 -0.686 4.840 3.462 1.00 0.00 C ATOM 292 C GLY A 21 -2.009 4.111 3.570 1.00 0.00 C ATOM 293 O GLY A 21 -2.063 2.999 4.094 1.00 0.00 O ATOM 0 H GLY A 21 0.187 2.936 3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.575 5.517 4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.683 5.453 2.561 1.00 0.00 H new ATOM 297 N SER A 22 -3.078 4.726 3.082 1.00 0.00 N ATOM 298 CA SER A 22 -4.399 4.120 3.148 1.00 0.00 C ATOM 299 C SER A 22 -5.230 4.468 1.920 1.00 0.00 C ATOM 300 O SER A 22 -5.260 5.617 1.477 1.00 0.00 O ATOM 301 CB SER A 22 -5.113 4.585 4.413 1.00 0.00 C ATOM 302 OG SER A 22 -4.206 4.670 5.501 1.00 0.00 O ATOM 0 H SER A 22 -3.055 5.643 2.637 1.00 0.00 H new ATOM 0 HA SER A 22 -4.278 3.037 3.173 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.572 5.558 4.240 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.918 3.892 4.658 1.00 0.00 H new ATOM 0 HG SER A 22 -4.683 4.971 6.302 1.00 0.00 H new ATOM 308 N CYS A 23 -5.894 3.459 1.381 1.00 0.00 N ATOM 309 CA CYS A 23 -6.737 3.618 0.204 1.00 0.00 C ATOM 310 C CYS A 23 -8.194 3.636 0.632 1.00 0.00 C ATOM 311 O CYS A 23 -9.019 4.368 0.085 1.00 0.00 O ATOM 312 CB CYS A 23 -6.505 2.455 -0.757 1.00 0.00 C ATOM 313 SG CYS A 23 -6.861 2.819 -2.503 1.00 0.00 S ATOM 0 H CYS A 23 -5.865 2.507 1.745 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.488 4.553 -0.297 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.466 2.135 -0.672 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.124 1.615 -0.443 1.00 0.00 H new ATOM 318 N PHE A 24 -8.486 2.812 1.623 1.00 0.00 N ATOM 319 CA PHE A 24 -9.819 2.681 2.177 1.00 0.00 C ATOM 320 C PHE A 24 -9.706 1.898 3.476 1.00 0.00 C ATOM 321 O PHE A 24 -8.704 1.212 3.689 1.00 0.00 O ATOM 322 CB PHE A 24 -10.745 1.960 1.191 1.00 0.00 C ATOM 323 CG PHE A 24 -12.209 2.155 1.471 1.00 0.00 C ATOM 324 CD1 PHE A 24 -12.751 3.430 1.540 1.00 0.00 C ATOM 325 CD2 PHE A 24 -13.045 1.066 1.656 1.00 0.00 C ATOM 326 CE1 PHE A 24 -14.097 3.613 1.789 1.00 0.00 C ATOM 327 CE2 PHE A 24 -14.392 1.244 1.906 1.00 0.00 C ATOM 328 CZ PHE A 24 -14.919 2.518 1.972 1.00 0.00 C ATOM 0 H PHE A 24 -7.795 2.209 2.070 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.248 3.665 2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.529 2.312 0.182 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.521 0.894 1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -12.113 4.290 1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -12.639 0.067 1.604 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -14.506 4.611 1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -15.033 0.386 2.050 1.00 0.00 H new ATOM 0 HZ PHE A 24 -15.972 2.658 2.166 1.00 0.00 H new ATOM 338 N GLY A 25 -10.701 2.007 4.343 1.00 0.00 N ATOM 339 CA GLY A 25 -10.654 1.304 5.612 1.00 0.00 C ATOM 340 C GLY A 25 -10.099 -0.102 5.476 1.00 0.00 C ATOM 341 O GLY A 25 -9.217 -0.510 6.237 1.00 0.00 O ATOM 0 H GLY A 25 -11.540 2.568 4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.039 1.868 6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.658 1.256 6.035 1.00 0.00 H new ATOM 345 N PHE A 26 -10.610 -0.840 4.504 1.00 0.00 N ATOM 346 CA PHE A 26 -10.171 -2.206 4.258 1.00 0.00 C ATOM 347 C PHE A 26 -9.283 -2.262 3.018 1.00 0.00 C ATOM 348 O PHE A 26 -9.377 -3.187 2.210 1.00 0.00 O ATOM 349 CB PHE A 26 -11.389 -3.123 4.090 1.00 0.00 C ATOM 350 CG PHE A 26 -11.046 -4.581 3.949 1.00 0.00 C ATOM 351 CD1 PHE A 26 -10.135 -5.180 4.806 1.00 0.00 C ATOM 352 CD2 PHE A 26 -11.637 -5.352 2.960 1.00 0.00 C ATOM 353 CE1 PHE A 26 -9.820 -6.519 4.678 1.00 0.00 C ATOM 354 CE2 PHE A 26 -11.325 -6.692 2.829 1.00 0.00 C ATOM 355 CZ PHE A 26 -10.415 -7.276 3.689 1.00 0.00 C ATOM 0 H PHE A 26 -11.336 -0.513 3.867 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.588 -2.551 5.112 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -12.046 -2.997 4.950 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -11.950 -2.806 3.211 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.667 -4.593 5.582 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -12.349 -4.901 2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.108 -6.973 5.352 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.792 -7.282 2.055 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.170 -8.323 3.588 1.00 0.00 H new ATOM 365 N ARG A 27 -8.419 -1.262 2.871 1.00 0.00 N ATOM 366 CA ARG A 27 -7.513 -1.191 1.730 1.00 0.00 C ATOM 367 C ARG A 27 -6.306 -0.312 2.036 1.00 0.00 C ATOM 368 O ARG A 27 -6.042 0.668 1.335 1.00 0.00 O ATOM 369 CB ARG A 27 -8.215 -0.642 0.486 1.00 0.00 C ATOM 370 CG ARG A 27 -9.393 -1.460 0.012 1.00 0.00 C ATOM 371 CD ARG A 27 -9.802 -1.038 -1.388 1.00 0.00 C ATOM 372 NE ARG A 27 -11.143 -1.482 -1.736 1.00 0.00 N ATOM 373 CZ ARG A 27 -11.540 -2.753 -1.750 1.00 0.00 C ATOM 374 NH1 ARG A 27 -10.700 -3.725 -1.417 1.00 0.00 N ATOM 375 NH2 ARG A 27 -12.782 -3.051 -2.102 1.00 0.00 N ATOM 0 H ARG A 27 -8.327 -0.488 3.529 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.182 -2.211 1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.555 0.372 0.696 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.489 -0.573 -0.324 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -9.135 -2.519 0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.231 -1.332 0.697 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.751 0.048 -1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.091 -1.443 -2.108 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.828 -0.769 -1.987 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.742 -3.501 -1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.012 -4.696 -1.430 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.431 -2.308 -2.361 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.089 -4.024 -2.114 1.00 0.00 H new ATOM 389 N SER A 28 -5.570 -0.663 3.067 1.00 0.00 N ATOM 390 CA SER A 28 -4.387 0.088 3.439 1.00 0.00 C ATOM 391 C SER A 28 -3.364 0.057 2.299 1.00 0.00 C ATOM 392 O SER A 28 -2.954 -1.014 1.855 1.00 0.00 O ATOM 393 CB SER A 28 -3.788 -0.510 4.707 1.00 0.00 C ATOM 394 OG SER A 28 -4.747 -0.538 5.754 1.00 0.00 O ATOM 0 H SER A 28 -5.769 -1.465 3.665 1.00 0.00 H new ATOM 0 HA SER A 28 -4.660 1.126 3.628 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.434 -1.521 4.505 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.922 0.075 5.017 1.00 0.00 H new ATOM 0 HG SER A 28 -4.343 -0.927 6.558 1.00 0.00 H new ATOM 400 N CYS A 29 -2.968 1.227 1.816 1.00 0.00 N ATOM 401 CA CYS A 29 -2.008 1.318 0.727 1.00 0.00 C ATOM 402 C CYS A 29 -0.631 0.846 1.183 1.00 0.00 C ATOM 403 O CYS A 29 -0.047 1.392 2.125 1.00 0.00 O ATOM 404 CB CYS A 29 -1.945 2.752 0.200 1.00 0.00 C ATOM 405 SG CYS A 29 -3.541 3.354 -0.441 1.00 0.00 S ATOM 0 H CYS A 29 -3.298 2.128 2.163 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.335 0.666 -0.083 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.611 3.412 1.001 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.198 2.808 -0.592 1.00 0.00 H new ATOM 410 N CYS A 30 -0.136 -0.180 0.514 1.00 0.00 N ATOM 411 CA CYS A 30 1.152 -0.770 0.821 1.00 0.00 C ATOM 412 C CYS A 30 2.170 -0.461 -0.276 1.00 0.00 C ATOM 413 O CYS A 30 1.840 -0.460 -1.465 1.00 0.00 O ATOM 414 CB CYS A 30 0.979 -2.279 1.000 1.00 0.00 C ATOM 415 SG CYS A 30 0.109 -3.093 -0.383 1.00 0.00 S ATOM 0 H CYS A 30 -0.621 -0.629 -0.263 1.00 0.00 H new ATOM 0 HA CYS A 30 1.534 -0.340 1.747 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.962 -2.736 1.118 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.429 -2.465 1.922 1.00 0.00 H new ATOM 420 N LYS A 31 3.403 -0.199 0.134 1.00 0.00 N ATOM 421 CA LYS A 31 4.483 0.111 -0.791 1.00 0.00 C ATOM 422 C LYS A 31 5.772 -0.521 -0.294 1.00 0.00 C ATOM 423 O LYS A 31 5.920 -0.795 0.899 1.00 0.00 O ATOM 424 CB LYS A 31 4.659 1.627 -0.940 1.00 0.00 C ATOM 425 CG LYS A 31 5.783 2.034 -1.879 1.00 0.00 C ATOM 426 CD LYS A 31 5.491 1.637 -3.311 1.00 0.00 C ATOM 427 CE LYS A 31 4.272 2.368 -3.825 1.00 0.00 C ATOM 428 NZ LYS A 31 3.946 2.000 -5.228 1.00 0.00 N ATOM 0 H LYS A 31 3.682 -0.195 1.115 1.00 0.00 H new ATOM 0 HA LYS A 31 4.233 -0.296 -1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.725 2.056 -1.302 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.848 2.058 0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.930 3.113 -1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.714 1.568 -1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.351 1.865 -3.940 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.329 0.561 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.419 2.143 -3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.442 3.443 -3.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.104 2.525 -5.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.749 2.238 -5.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.757 0.979 -5.284 1.00 0.00 H new ATOM 442 N TRP A 32 6.687 -0.776 -1.210 1.00 0.00 N ATOM 443 CA TRP A 32 7.956 -1.399 -0.866 1.00 0.00 C ATOM 444 C TRP A 32 8.616 -0.671 0.305 1.00 0.00 C ATOM 445 O TRP A 32 8.613 0.561 0.366 1.00 0.00 O ATOM 446 CB TRP A 32 8.894 -1.414 -2.075 1.00 0.00 C ATOM 447 CG TRP A 32 8.283 -2.039 -3.293 1.00 0.00 C ATOM 448 CD1 TRP A 32 7.347 -1.483 -4.116 1.00 0.00 C ATOM 449 CD2 TRP A 32 8.548 -3.347 -3.816 1.00 0.00 C ATOM 450 NE1 TRP A 32 7.022 -2.358 -5.121 1.00 0.00 N ATOM 451 CE2 TRP A 32 7.744 -3.510 -4.959 1.00 0.00 C ATOM 452 CE3 TRP A 32 9.390 -4.395 -3.431 1.00 0.00 C ATOM 453 CZ2 TRP A 32 7.756 -4.676 -5.719 1.00 0.00 C ATOM 454 CZ3 TRP A 32 9.400 -5.552 -4.187 1.00 0.00 C ATOM 455 CH2 TRP A 32 8.588 -5.684 -5.319 1.00 0.00 C ATOM 0 H TRP A 32 6.577 -0.562 -2.201 1.00 0.00 H new ATOM 0 HA TRP A 32 7.758 -2.428 -0.566 1.00 0.00 H new ATOM 0 HB2 TRP A 32 9.189 -0.391 -2.309 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.803 -1.956 -1.814 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.924 -0.497 -3.994 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.351 -2.179 -5.868 1.00 0.00 H new ATOM 0 HE3 TRP A 32 10.021 -4.302 -2.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 7.131 -4.781 -6.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 10.046 -6.368 -3.899 1.00 0.00 H new ATOM 0 HH2 TRP A 32 8.619 -6.601 -5.888 1.00 0.00 H new ATOM 466 N PRO A 33 9.192 -1.427 1.254 1.00 0.00 N ATOM 467 CA PRO A 33 9.855 -0.857 2.428 1.00 0.00 C ATOM 468 C PRO A 33 10.779 0.297 2.062 1.00 0.00 C ATOM 469 O PRO A 33 11.102 1.142 2.900 1.00 0.00 O ATOM 470 CB PRO A 33 10.656 -2.032 2.984 1.00 0.00 C ATOM 471 CG PRO A 33 9.884 -3.238 2.578 1.00 0.00 C ATOM 472 CD PRO A 33 9.241 -2.903 1.257 1.00 0.00 C ATOM 0 HA PRO A 33 9.144 -0.436 3.139 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.666 -2.052 2.575 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.752 -1.969 4.068 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.538 -4.105 2.483 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.131 -3.487 3.325 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.824 -3.286 0.420 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.244 -3.337 1.176 1.00 0.00 H new ATOM 480 N TRP A 34 11.202 0.321 0.807 1.00 0.00 N ATOM 481 CA TRP A 34 12.091 1.362 0.315 1.00 0.00 C ATOM 482 C TRP A 34 11.555 2.728 0.721 1.00 0.00 C ATOM 483 O TRP A 34 12.297 3.589 1.196 1.00 0.00 O ATOM 484 CB TRP A 34 12.216 1.280 -1.209 1.00 0.00 C ATOM 485 CG TRP A 34 12.158 -0.120 -1.749 1.00 0.00 C ATOM 486 CD1 TRP A 34 11.742 -0.499 -2.992 1.00 0.00 C ATOM 487 CD2 TRP A 34 12.532 -1.325 -1.068 1.00 0.00 C ATOM 488 NE1 TRP A 34 11.817 -1.864 -3.120 1.00 0.00 N ATOM 489 CE2 TRP A 34 12.302 -2.393 -1.954 1.00 0.00 C ATOM 490 CE3 TRP A 34 13.035 -1.604 0.204 1.00 0.00 C ATOM 491 CZ2 TRP A 34 12.555 -3.717 -1.606 1.00 0.00 C ATOM 492 CZ3 TRP A 34 13.287 -2.918 0.548 1.00 0.00 C ATOM 493 CH2 TRP A 34 13.046 -3.961 -0.354 1.00 0.00 C ATOM 0 H TRP A 34 10.942 -0.374 0.107 1.00 0.00 H new ATOM 0 HA TRP A 34 13.079 1.219 0.752 1.00 0.00 H new ATOM 0 HB2 TRP A 34 11.417 1.867 -1.662 1.00 0.00 H new ATOM 0 HB3 TRP A 34 13.158 1.737 -1.512 1.00 0.00 H new ATOM 0 HD1 TRP A 34 11.403 0.177 -3.763 1.00 0.00 H new ATOM 0 HE1 TRP A 34 11.554 -2.397 -3.949 1.00 0.00 H new ATOM 0 HE3 TRP A 34 13.224 -0.806 0.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 12.370 -4.523 -2.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 13.677 -3.144 1.530 1.00 0.00 H new ATOM 0 HH2 TRP A 34 13.252 -4.978 -0.055 1.00 0.00 H new ATOM 504 N ASN A 35 10.255 2.908 0.543 1.00 0.00 N ATOM 505 CA ASN A 35 9.594 4.159 0.895 1.00 0.00 C ATOM 506 C ASN A 35 9.617 4.369 2.402 1.00 0.00 C ATOM 507 O ASN A 35 9.931 5.458 2.885 1.00 0.00 O ATOM 508 CB ASN A 35 8.152 4.157 0.385 1.00 0.00 C ATOM 509 CG ASN A 35 8.074 4.106 -1.128 1.00 0.00 C ATOM 510 OD1 ASN A 35 8.625 3.203 -1.763 1.00 0.00 O ATOM 511 ND2 ASN A 35 7.387 5.069 -1.719 1.00 0.00 N ATOM 0 H ASN A 35 9.632 2.200 0.155 1.00 0.00 H new ATOM 0 HA ASN A 35 10.134 4.980 0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.623 3.300 0.802 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.642 5.051 0.742 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.298 5.083 -2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.946 5.798 -1.159 1.00 0.00 H new ATOM 518 N ALA A 36 9.292 3.312 3.136 1.00 0.00 N ATOM 519 CA ALA A 36 9.272 3.353 4.594 1.00 0.00 C ATOM 520 C ALA A 36 8.075 4.147 5.110 1.00 0.00 C ATOM 521 O ALA A 36 7.560 3.801 6.192 1.00 0.00 O ATOM 522 CB ALA A 36 10.572 3.934 5.136 1.00 0.00 C ATOM 523 OXT ALA A 36 7.650 5.111 4.439 1.00 0.00 O ATOM 0 H ALA A 36 9.036 2.407 2.741 1.00 0.00 H new ATOM 0 HA ALA A 36 9.175 2.328 4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.535 3.955 6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.409 3.315 4.813 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.703 4.948 4.758 1.00 0.00 H new TER 529 ALA A 36