USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 278 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0 (180deg=-0.115) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.569 15.664 -0.144 1.00 0.00 N ATOM 2 CA MET A 1 -17.367 16.527 -0.002 1.00 0.00 C ATOM 3 C MET A 1 -16.089 15.746 -0.289 1.00 0.00 C ATOM 4 O MET A 1 -15.063 15.955 0.358 1.00 0.00 O ATOM 5 CB MET A 1 -17.335 17.087 1.422 1.00 0.00 C ATOM 6 CG MET A 1 -16.817 18.514 1.503 1.00 0.00 C ATOM 7 SD MET A 1 -16.466 19.030 3.194 1.00 0.00 S ATOM 8 CE MET A 1 -14.675 19.027 3.184 1.00 0.00 C ATOM 0 H1 MET A 1 -19.403 16.168 0.218 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.713 15.432 -1.147 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.433 14.787 0.398 1.00 0.00 H new ATOM 0 HA MET A 1 -17.423 17.340 -0.726 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.341 17.050 1.841 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.708 16.446 2.042 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.910 18.602 0.905 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.553 19.189 1.067 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.305 19.326 4.165 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.314 18.025 2.950 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.314 19.728 2.431 1.00 0.00 H new ATOM 20 N LYS A 2 -16.159 14.845 -1.264 1.00 0.00 N ATOM 21 CA LYS A 2 -15.006 14.032 -1.638 1.00 0.00 C ATOM 22 C LYS A 2 -14.490 14.393 -3.017 1.00 0.00 C ATOM 23 O LYS A 2 -13.714 13.637 -3.599 1.00 0.00 O ATOM 24 CB LYS A 2 -15.349 12.548 -1.619 1.00 0.00 C ATOM 25 CG LYS A 2 -16.728 12.231 -2.180 1.00 0.00 C ATOM 26 CD LYS A 2 -16.810 12.516 -3.672 1.00 0.00 C ATOM 27 CE LYS A 2 -15.756 11.743 -4.447 1.00 0.00 C ATOM 28 NZ LYS A 2 -15.714 12.144 -5.881 1.00 0.00 N ATOM 0 H LYS A 2 -17.001 14.659 -1.809 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.230 14.238 -0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.599 12.004 -2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.291 12.184 -0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.963 11.182 -1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -17.479 12.822 -1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -17.801 12.250 -4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.681 13.584 -3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.778 11.910 -3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.963 10.675 -4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.982 11.594 -6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.639 11.961 -6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.491 13.157 -5.952 1.00 0.00 H new ATOM 42 N ASP A 3 -14.926 15.538 -3.542 1.00 0.00 N ATOM 43 CA ASP A 3 -14.505 15.985 -4.867 1.00 0.00 C ATOM 44 C ASP A 3 -13.168 15.361 -5.246 1.00 0.00 C ATOM 45 O ASP A 3 -13.021 14.778 -6.320 1.00 0.00 O ATOM 46 CB ASP A 3 -14.403 17.511 -4.906 1.00 0.00 C ATOM 47 CG ASP A 3 -14.844 18.086 -6.237 1.00 0.00 C ATOM 48 OD1 ASP A 3 -15.766 17.513 -6.856 1.00 0.00 O ATOM 49 OD2 ASP A 3 -14.270 19.111 -6.661 1.00 0.00 O ATOM 0 H ASP A 3 -15.570 16.172 -3.069 1.00 0.00 H new ATOM 0 HA ASP A 3 -15.254 15.663 -5.590 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -15.016 17.934 -4.110 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.373 17.809 -4.708 1.00 0.00 H new ATOM 54 N LEU A 4 -12.204 15.468 -4.337 1.00 0.00 N ATOM 55 CA LEU A 4 -10.885 14.892 -4.557 1.00 0.00 C ATOM 56 C LEU A 4 -10.557 13.816 -3.524 1.00 0.00 C ATOM 57 O LEU A 4 -9.710 12.955 -3.765 1.00 0.00 O ATOM 58 CB LEU A 4 -9.812 15.982 -4.544 1.00 0.00 C ATOM 59 CG LEU A 4 -10.019 17.108 -5.559 1.00 0.00 C ATOM 60 CD1 LEU A 4 -10.874 18.215 -4.961 1.00 0.00 C ATOM 61 CD2 LEU A 4 -8.680 17.658 -6.025 1.00 0.00 C ATOM 0 H LEU A 4 -12.312 15.948 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.897 14.418 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.770 16.417 -3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.843 15.519 -4.731 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.542 16.700 -6.424 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.011 19.007 -5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.846 17.811 -4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.379 18.621 -4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.846 18.458 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.130 18.050 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.103 16.861 -6.494 1.00 0.00 H new ATOM 73 N MET A 5 -11.222 13.865 -2.372 1.00 0.00 N ATOM 74 CA MET A 5 -10.983 12.889 -1.311 1.00 0.00 C ATOM 75 C MET A 5 -11.044 11.463 -1.850 1.00 0.00 C ATOM 76 O MET A 5 -10.171 10.643 -1.565 1.00 0.00 O ATOM 77 CB MET A 5 -12.003 13.061 -0.184 1.00 0.00 C ATOM 78 CG MET A 5 -12.100 14.485 0.340 1.00 0.00 C ATOM 79 SD MET A 5 -10.506 15.145 0.864 1.00 0.00 S ATOM 80 CE MET A 5 -10.946 15.888 2.433 1.00 0.00 C ATOM 0 H MET A 5 -11.928 14.567 -2.150 1.00 0.00 H new ATOM 0 HA MET A 5 -9.982 13.066 -0.917 1.00 0.00 H new ATOM 0 HB2 MET A 5 -12.984 12.747 -0.542 1.00 0.00 H new ATOM 0 HB3 MET A 5 -11.737 12.398 0.639 1.00 0.00 H new ATOM 0 HG2 MET A 5 -12.516 15.126 -0.437 1.00 0.00 H new ATOM 0 HG3 MET A 5 -12.794 14.512 1.180 1.00 0.00 H new ATOM 0 HE1 MET A 5 -10.062 16.340 2.882 1.00 0.00 H new ATOM 0 HE2 MET A 5 -11.704 16.655 2.273 1.00 0.00 H new ATOM 0 HE3 MET A 5 -11.341 15.122 3.100 1.00 0.00 H new ATOM 90 N SER A 6 -12.078 11.175 -2.632 1.00 0.00 N ATOM 91 CA SER A 6 -12.248 9.848 -3.212 1.00 0.00 C ATOM 92 C SER A 6 -11.161 9.561 -4.245 1.00 0.00 C ATOM 93 O SER A 6 -10.894 8.406 -4.573 1.00 0.00 O ATOM 94 CB SER A 6 -13.629 9.724 -3.857 1.00 0.00 C ATOM 95 OG SER A 6 -13.928 8.375 -4.168 1.00 0.00 O ATOM 0 H SER A 6 -12.810 11.841 -2.879 1.00 0.00 H new ATOM 0 HA SER A 6 -12.163 9.114 -2.410 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.386 10.121 -3.181 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.665 10.326 -4.765 1.00 0.00 H new ATOM 0 HG SER A 6 -14.817 8.323 -4.578 1.00 0.00 H new ATOM 101 N LEU A 7 -10.533 10.620 -4.750 1.00 0.00 N ATOM 102 CA LEU A 7 -9.472 10.479 -5.740 1.00 0.00 C ATOM 103 C LEU A 7 -8.106 10.376 -5.066 1.00 0.00 C ATOM 104 O LEU A 7 -7.126 9.974 -5.691 1.00 0.00 O ATOM 105 CB LEU A 7 -9.488 11.664 -6.708 1.00 0.00 C ATOM 106 CG LEU A 7 -8.868 11.387 -8.079 1.00 0.00 C ATOM 107 CD1 LEU A 7 -9.611 12.148 -9.165 1.00 0.00 C ATOM 108 CD2 LEU A 7 -7.392 11.757 -8.079 1.00 0.00 C ATOM 0 H LEU A 7 -10.741 11.584 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.651 9.560 -6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.520 11.983 -6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.957 12.497 -6.248 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.956 10.321 -8.288 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.156 11.938 -10.133 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.655 11.835 -9.180 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.556 13.218 -8.962 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.966 11.554 -9.062 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.283 12.817 -7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.869 11.166 -7.327 1.00 0.00 H new ATOM 120 N VAL A 8 -8.047 10.740 -3.787 1.00 0.00 N ATOM 121 CA VAL A 8 -6.802 10.685 -3.034 1.00 0.00 C ATOM 122 C VAL A 8 -6.694 9.378 -2.255 1.00 0.00 C ATOM 123 O VAL A 8 -5.764 8.597 -2.459 1.00 0.00 O ATOM 124 CB VAL A 8 -6.686 11.865 -2.049 1.00 0.00 C ATOM 125 CG1 VAL A 8 -5.310 11.892 -1.400 1.00 0.00 C ATOM 126 CG2 VAL A 8 -6.979 13.184 -2.751 1.00 0.00 C ATOM 0 H VAL A 8 -8.848 11.076 -3.253 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.990 10.746 -3.758 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.429 11.727 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.250 12.733 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.146 10.962 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.546 12.001 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.892 14.003 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.265 13.331 -3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.990 13.163 -3.157 1.00 0.00 H new ATOM 136 N ILE A 9 -7.650 9.148 -1.361 1.00 0.00 N ATOM 137 CA ILE A 9 -7.668 7.941 -0.546 1.00 0.00 C ATOM 138 C ILE A 9 -7.782 6.681 -1.406 1.00 0.00 C ATOM 139 O ILE A 9 -7.408 5.590 -0.976 1.00 0.00 O ATOM 140 CB ILE A 9 -8.830 7.977 0.472 1.00 0.00 C ATOM 141 CG1 ILE A 9 -8.549 7.016 1.627 1.00 0.00 C ATOM 142 CG2 ILE A 9 -10.157 7.643 -0.197 1.00 0.00 C ATOM 143 CD1 ILE A 9 -7.405 7.463 2.508 1.00 0.00 C ATOM 0 H ILE A 9 -8.426 9.786 -1.183 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.721 7.908 -0.007 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.905 8.989 0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.449 6.915 2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.324 6.029 1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.956 7.676 0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.361 8.369 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.105 6.644 -0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.257 6.738 3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.495 7.537 1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.637 8.437 2.939 1.00 0.00 H new ATOM 155 N ALA A 10 -8.306 6.838 -2.619 1.00 0.00 N ATOM 156 CA ALA A 10 -8.475 5.711 -3.531 1.00 0.00 C ATOM 157 C ALA A 10 -7.129 5.156 -3.997 1.00 0.00 C ATOM 158 O ALA A 10 -6.805 3.998 -3.733 1.00 0.00 O ATOM 159 CB ALA A 10 -9.319 6.124 -4.727 1.00 0.00 C ATOM 0 H ALA A 10 -8.620 7.734 -2.992 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.989 4.918 -2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.437 5.274 -5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.299 6.455 -4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.826 6.939 -5.256 1.00 0.00 H new ATOM 165 N PRO A 11 -6.326 5.971 -4.704 1.00 0.00 N ATOM 166 CA PRO A 11 -5.015 5.545 -5.209 1.00 0.00 C ATOM 167 C PRO A 11 -4.051 5.172 -4.087 1.00 0.00 C ATOM 168 O PRO A 11 -3.401 4.127 -4.137 1.00 0.00 O ATOM 169 CB PRO A 11 -4.501 6.772 -5.971 1.00 0.00 C ATOM 170 CG PRO A 11 -5.280 7.919 -5.428 1.00 0.00 C ATOM 171 CD PRO A 11 -6.629 7.365 -5.071 1.00 0.00 C ATOM 0 HA PRO A 11 -5.093 4.650 -5.825 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.431 6.913 -5.816 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.656 6.663 -7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.789 8.346 -4.554 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.368 8.716 -6.166 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.084 7.911 -4.244 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.323 7.420 -5.910 1.00 0.00 H new ATOM 179 N ILE A 12 -3.963 6.031 -3.077 1.00 0.00 N ATOM 180 CA ILE A 12 -3.079 5.791 -1.941 1.00 0.00 C ATOM 181 C ILE A 12 -3.360 4.441 -1.291 1.00 0.00 C ATOM 182 O ILE A 12 -2.494 3.865 -0.633 1.00 0.00 O ATOM 183 CB ILE A 12 -3.218 6.898 -0.880 1.00 0.00 C ATOM 184 CG1 ILE A 12 -4.679 7.059 -0.475 1.00 0.00 C ATOM 185 CG2 ILE A 12 -2.659 8.211 -1.406 1.00 0.00 C ATOM 186 CD1 ILE A 12 -5.071 6.243 0.740 1.00 0.00 C ATOM 0 H ILE A 12 -4.493 6.901 -3.021 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.061 5.793 -2.331 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.645 6.612 0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.876 8.112 -0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.313 6.771 -1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.765 8.983 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.604 8.085 -1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.206 8.507 -2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.124 6.410 0.966 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.907 5.185 0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.464 6.546 1.593 1.00 0.00 H new ATOM 198 N PHE A 13 -4.575 3.944 -1.481 1.00 0.00 N ATOM 199 CA PHE A 13 -4.972 2.662 -0.913 1.00 0.00 C ATOM 200 C PHE A 13 -4.154 1.524 -1.515 1.00 0.00 C ATOM 201 O PHE A 13 -3.373 0.874 -0.821 1.00 0.00 O ATOM 202 CB PHE A 13 -6.463 2.415 -1.150 1.00 0.00 C ATOM 203 CG PHE A 13 -7.150 1.736 0.001 1.00 0.00 C ATOM 204 CD1 PHE A 13 -7.264 2.370 1.228 1.00 0.00 C ATOM 205 CD2 PHE A 13 -7.680 0.465 -0.145 1.00 0.00 C ATOM 206 CE1 PHE A 13 -7.895 1.748 2.288 1.00 0.00 C ATOM 207 CE2 PHE A 13 -8.312 -0.163 0.912 1.00 0.00 C ATOM 208 CZ PHE A 13 -8.420 0.480 2.130 1.00 0.00 C ATOM 0 H PHE A 13 -5.303 4.409 -2.024 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.782 2.694 0.160 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.954 3.368 -1.344 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.584 1.805 -2.045 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.855 3.361 1.357 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.599 -0.041 -1.095 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.978 2.253 3.239 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -8.721 -1.155 0.786 1.00 0.00 H new ATOM 0 HZ PHE A 13 -8.914 -0.008 2.957 1.00 0.00 H new ATOM 218 N VAL A 14 -4.339 1.290 -2.811 1.00 0.00 N ATOM 219 CA VAL A 14 -3.619 0.230 -3.511 1.00 0.00 C ATOM 220 C VAL A 14 -2.120 0.298 -3.234 1.00 0.00 C ATOM 221 O VAL A 14 -1.424 -0.717 -3.281 1.00 0.00 O ATOM 222 CB VAL A 14 -3.850 0.304 -5.032 1.00 0.00 C ATOM 223 CG1 VAL A 14 -3.263 -0.916 -5.723 1.00 0.00 C ATOM 224 CG2 VAL A 14 -5.334 0.438 -5.341 1.00 0.00 C ATOM 0 H VAL A 14 -4.982 1.821 -3.399 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.011 -0.715 -3.134 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.341 1.189 -5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.437 -0.845 -6.797 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.191 -0.962 -5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.740 -1.817 -5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.478 0.489 -6.420 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.868 -0.426 -4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.721 1.347 -4.880 1.00 0.00 H new ATOM 234 N GLY A 15 -1.629 1.499 -2.946 1.00 0.00 N ATOM 235 CA GLY A 15 -0.217 1.675 -2.666 1.00 0.00 C ATOM 236 C GLY A 15 0.161 1.208 -1.273 1.00 0.00 C ATOM 237 O GLY A 15 1.263 0.701 -1.060 1.00 0.00 O ATOM 0 H GLY A 15 -2.184 2.353 -2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.368 1.123 -3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.044 2.728 -2.776 1.00 0.00 H new ATOM 241 N LEU A 16 -0.753 1.380 -0.324 1.00 0.00 N ATOM 242 CA LEU A 16 -0.507 0.973 1.055 1.00 0.00 C ATOM 243 C LEU A 16 -0.788 -0.515 1.244 1.00 0.00 C ATOM 244 O LEU A 16 -0.163 -1.171 2.078 1.00 0.00 O ATOM 245 CB LEU A 16 -1.370 1.792 2.016 1.00 0.00 C ATOM 246 CG LEU A 16 -0.738 3.097 2.503 1.00 0.00 C ATOM 247 CD1 LEU A 16 0.626 2.832 3.121 1.00 0.00 C ATOM 248 CD2 LEU A 16 -0.622 4.093 1.359 1.00 0.00 C ATOM 0 H LEU A 16 -1.670 1.798 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 16 0.544 1.157 1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.314 2.025 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.607 1.175 2.883 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.384 3.527 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.060 3.772 3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.516 2.155 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.281 2.379 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.170 5.015 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.001 3.671 0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.614 4.307 0.961 1.00 0.00 H new ATOM 260 N VAL A 17 -1.724 -1.044 0.463 1.00 0.00 N ATOM 261 CA VAL A 17 -2.074 -2.459 0.547 1.00 0.00 C ATOM 262 C VAL A 17 -0.991 -3.308 -0.089 1.00 0.00 C ATOM 263 O VAL A 17 -0.426 -4.200 0.544 1.00 0.00 O ATOM 264 CB VAL A 17 -3.404 -2.782 -0.164 1.00 0.00 C ATOM 265 CG1 VAL A 17 -4.056 -4.004 0.465 1.00 0.00 C ATOM 266 CG2 VAL A 17 -4.354 -1.591 -0.135 1.00 0.00 C ATOM 0 H VAL A 17 -2.252 -0.518 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.178 -2.685 1.608 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.182 -3.001 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.994 -4.220 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.387 -4.860 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.255 -3.809 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.281 -1.853 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.571 -1.324 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.890 -0.743 -0.639 1.00 0.00 H new ATOM 276 N LEU A 18 -0.712 -3.021 -1.355 1.00 0.00 N ATOM 277 CA LEU A 18 0.297 -3.752 -2.102 1.00 0.00 C ATOM 278 C LEU A 18 1.584 -3.887 -1.291 1.00 0.00 C ATOM 279 O LEU A 18 2.325 -4.859 -1.436 1.00 0.00 O ATOM 280 CB LEU A 18 0.585 -3.046 -3.429 1.00 0.00 C ATOM 281 CG LEU A 18 -0.267 -3.515 -4.609 1.00 0.00 C ATOM 282 CD1 LEU A 18 -0.313 -2.447 -5.691 1.00 0.00 C ATOM 283 CD2 LEU A 18 0.273 -4.822 -5.170 1.00 0.00 C ATOM 0 H LEU A 18 -1.175 -2.283 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.087 -4.752 -2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.433 -1.975 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.636 -3.190 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.283 -3.688 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.924 -2.798 -6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.746 -1.534 -5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.698 -2.243 -6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.345 -5.141 -6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.298 -4.676 -5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.254 -5.587 -4.394 1.00 0.00 H new ATOM 295 N GLU A 19 1.835 -2.902 -0.432 1.00 0.00 N ATOM 296 CA GLU A 19 3.023 -2.903 0.411 1.00 0.00 C ATOM 297 C GLU A 19 2.812 -3.783 1.639 1.00 0.00 C ATOM 298 O GLU A 19 3.678 -4.578 2.004 1.00 0.00 O ATOM 299 CB GLU A 19 3.364 -1.476 0.846 1.00 0.00 C ATOM 300 CG GLU A 19 4.201 -0.715 -0.169 1.00 0.00 C ATOM 301 CD GLU A 19 4.283 0.768 0.138 1.00 0.00 C ATOM 302 OE1 GLU A 19 3.229 1.374 0.426 1.00 0.00 O ATOM 303 OE2 GLU A 19 5.401 1.323 0.091 1.00 0.00 O ATOM 0 H GLU A 19 1.229 -2.092 -0.303 1.00 0.00 H new ATOM 0 HA GLU A 19 3.853 -3.307 -0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.439 -0.929 1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.901 -1.512 1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.207 -1.134 -0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.775 -0.854 -1.163 1.00 0.00 H new ATOM 310 N MET A 20 1.653 -3.631 2.273 1.00 0.00 N ATOM 311 CA MET A 20 1.315 -4.402 3.460 1.00 0.00 C ATOM 312 C MET A 20 1.537 -5.894 3.241 1.00 0.00 C ATOM 313 O MET A 20 1.997 -6.601 4.138 1.00 0.00 O ATOM 314 CB MET A 20 -0.141 -4.150 3.843 1.00 0.00 C ATOM 315 CG MET A 20 -0.424 -4.408 5.306 1.00 0.00 C ATOM 316 SD MET A 20 -2.177 -4.279 5.711 1.00 0.00 S ATOM 317 CE MET A 20 -2.299 -2.545 6.139 1.00 0.00 C ATOM 0 H MET A 20 0.929 -2.975 1.980 1.00 0.00 H new ATOM 0 HA MET A 20 1.972 -4.078 4.268 1.00 0.00 H new ATOM 0 HB2 MET A 20 -0.399 -3.118 3.606 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.785 -4.787 3.237 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.067 -5.403 5.571 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.138 -3.696 5.911 1.00 0.00 H new ATOM 0 HE1 MET A 20 -3.327 -2.309 6.414 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.640 -2.331 6.981 1.00 0.00 H new ATOM 0 HE3 MET A 20 -2.004 -1.937 5.284 1.00 0.00 H new ATOM 327 N ILE A 21 1.209 -6.369 2.045 1.00 0.00 N ATOM 328 CA ILE A 21 1.375 -7.772 1.715 1.00 0.00 C ATOM 329 C ILE A 21 2.784 -8.032 1.197 1.00 0.00 C ATOM 330 O ILE A 21 3.364 -9.087 1.453 1.00 0.00 O ATOM 331 CB ILE A 21 0.317 -8.236 0.681 1.00 0.00 C ATOM 332 CG1 ILE A 21 0.693 -9.596 0.081 1.00 0.00 C ATOM 333 CG2 ILE A 21 0.133 -7.193 -0.415 1.00 0.00 C ATOM 334 CD1 ILE A 21 1.852 -9.526 -0.890 1.00 0.00 C ATOM 0 H ILE A 21 0.827 -5.800 1.290 1.00 0.00 H new ATOM 0 HA ILE A 21 1.226 -8.353 2.625 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.633 -8.350 1.203 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.946 -10.283 0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.175 -10.011 -0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.614 -7.542 -1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.199 -6.254 0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.080 -7.036 -0.930 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.064 -10.523 -1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.594 -8.864 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.733 -9.140 -0.377 1.00 0.00 H new ATOM 346 N SER A 22 3.329 -7.065 0.469 1.00 0.00 N ATOM 347 CA SER A 22 4.671 -7.196 -0.081 1.00 0.00 C ATOM 348 C SER A 22 5.684 -7.468 1.025 1.00 0.00 C ATOM 349 O SER A 22 6.707 -8.114 0.798 1.00 0.00 O ATOM 350 CB SER A 22 5.056 -5.934 -0.853 1.00 0.00 C ATOM 351 OG SER A 22 6.422 -5.961 -1.227 1.00 0.00 O ATOM 0 H SER A 22 2.864 -6.185 0.247 1.00 0.00 H new ATOM 0 HA SER A 22 4.677 -8.042 -0.768 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.434 -5.845 -1.744 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.861 -5.055 -0.239 1.00 0.00 H new ATOM 0 HG SER A 22 6.642 -5.144 -1.721 1.00 0.00 H new ATOM 357 N ARG A 23 5.388 -6.981 2.225 1.00 0.00 N ATOM 358 CA ARG A 23 6.270 -7.185 3.365 1.00 0.00 C ATOM 359 C ARG A 23 6.133 -8.608 3.888 1.00 0.00 C ATOM 360 O ARG A 23 7.125 -9.259 4.211 1.00 0.00 O ATOM 361 CB ARG A 23 5.955 -6.178 4.475 1.00 0.00 C ATOM 362 CG ARG A 23 6.996 -5.078 4.611 1.00 0.00 C ATOM 363 CD ARG A 23 7.288 -4.418 3.273 1.00 0.00 C ATOM 364 NE ARG A 23 8.078 -3.198 3.424 1.00 0.00 N ATOM 365 CZ ARG A 23 7.567 -2.026 3.796 1.00 0.00 C ATOM 366 NH1 ARG A 23 6.271 -1.911 4.056 1.00 0.00 N ATOM 367 NH2 ARG A 23 8.356 -0.966 3.909 1.00 0.00 N ATOM 0 H ARG A 23 4.546 -6.444 2.432 1.00 0.00 H new ATOM 0 HA ARG A 23 7.298 -7.029 3.040 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.983 -5.725 4.278 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.873 -6.709 5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.643 -4.328 5.319 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.916 -5.495 5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.823 -5.119 2.632 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.349 -4.182 2.773 1.00 0.00 H new ATOM 0 HE ARG A 23 9.079 -3.247 3.233 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.660 -2.723 3.971 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.886 -1.010 4.341 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.353 -1.049 3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.966 -0.068 4.194 1.00 0.00 H new ATOM 381 N VAL A 24 4.896 -9.092 3.950 1.00 0.00 N ATOM 382 CA VAL A 24 4.629 -10.448 4.413 1.00 0.00 C ATOM 383 C VAL A 24 5.396 -11.449 3.567 1.00 0.00 C ATOM 384 O VAL A 24 5.825 -12.496 4.052 1.00 0.00 O ATOM 385 CB VAL A 24 3.128 -10.787 4.356 1.00 0.00 C ATOM 386 CG1 VAL A 24 2.836 -12.052 5.146 1.00 0.00 C ATOM 387 CG2 VAL A 24 2.294 -9.624 4.871 1.00 0.00 C ATOM 0 H VAL A 24 4.064 -8.565 3.685 1.00 0.00 H new ATOM 0 HA VAL A 24 4.955 -10.506 5.451 1.00 0.00 H new ATOM 0 HB VAL A 24 2.856 -10.964 3.316 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.770 -12.276 5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.402 -12.883 4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.126 -11.906 6.187 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.237 -9.885 4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.567 -9.410 5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.479 -8.743 4.256 1.00 0.00 H new ATOM 397 N LEU A 25 5.574 -11.107 2.299 1.00 0.00 N ATOM 398 CA LEU A 25 6.300 -11.959 1.374 1.00 0.00 C ATOM 399 C LEU A 25 7.728 -12.187 1.843 1.00 0.00 C ATOM 400 O LEU A 25 8.391 -13.127 1.405 1.00 0.00 O ATOM 401 CB LEU A 25 6.302 -11.337 -0.023 1.00 0.00 C ATOM 402 CG LEU A 25 5.058 -11.627 -0.864 1.00 0.00 C ATOM 403 CD1 LEU A 25 4.945 -10.634 -2.010 1.00 0.00 C ATOM 404 CD2 LEU A 25 5.094 -13.053 -1.393 1.00 0.00 C ATOM 0 H LEU A 25 5.223 -10.242 1.888 1.00 0.00 H new ATOM 0 HA LEU A 25 5.796 -12.925 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.410 -10.257 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.178 -11.696 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 25 4.179 -11.518 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.054 -10.856 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.873 -9.623 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.827 -10.710 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.201 -13.243 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.980 -13.189 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.126 -13.751 -0.556 1.00 0.00 H new ATOM 416 N ASP A 26 8.205 -11.320 2.725 1.00 0.00 N ATOM 417 CA ASP A 26 9.559 -11.435 3.229 1.00 0.00 C ATOM 418 C ASP A 26 9.689 -10.816 4.617 1.00 0.00 C ATOM 419 O ASP A 26 10.731 -10.259 4.965 1.00 0.00 O ATOM 420 CB ASP A 26 10.508 -10.765 2.245 1.00 0.00 C ATOM 421 CG ASP A 26 11.942 -11.232 2.405 1.00 0.00 C ATOM 422 OD1 ASP A 26 12.149 -12.339 2.945 1.00 0.00 O ATOM 423 OD2 ASP A 26 12.857 -10.491 1.989 1.00 0.00 O ATOM 0 H ASP A 26 7.675 -10.535 3.102 1.00 0.00 H new ATOM 0 HA ASP A 26 9.816 -12.490 3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.175 -10.970 1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.464 -9.685 2.383 1.00 0.00 H new ATOM 428 N GLU A 27 8.624 -10.916 5.406 1.00 0.00 N ATOM 429 CA GLU A 27 8.617 -10.366 6.756 1.00 0.00 C ATOM 430 C GLU A 27 9.666 -11.049 7.627 1.00 0.00 C ATOM 431 O GLU A 27 10.257 -10.424 8.509 1.00 0.00 O ATOM 432 CB GLU A 27 7.232 -10.525 7.385 1.00 0.00 C ATOM 433 CG GLU A 27 6.722 -11.955 7.369 1.00 0.00 C ATOM 434 CD GLU A 27 5.747 -12.240 8.494 1.00 0.00 C ATOM 435 OE1 GLU A 27 5.177 -11.275 9.044 1.00 0.00 O ATOM 436 OE2 GLU A 27 5.553 -13.429 8.825 1.00 0.00 O ATOM 0 H GLU A 27 7.754 -11.373 5.133 1.00 0.00 H new ATOM 0 HA GLU A 27 8.860 -9.305 6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.266 -10.171 8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.525 -9.889 6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.236 -12.153 6.414 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.567 -12.639 7.444 1.00 0.00 H new ATOM 443 N GLU A 28 9.892 -12.334 7.375 1.00 0.00 N ATOM 444 CA GLU A 28 10.871 -13.102 8.137 1.00 0.00 C ATOM 445 C GLU A 28 12.266 -12.502 7.992 1.00 0.00 C ATOM 446 O GLU A 28 13.088 -12.592 8.904 1.00 0.00 O ATOM 447 CB GLU A 28 10.879 -14.559 7.673 1.00 0.00 C ATOM 448 CG GLU A 28 11.107 -15.554 8.799 1.00 0.00 C ATOM 449 CD GLU A 28 9.877 -15.750 9.662 1.00 0.00 C ATOM 450 OE1 GLU A 28 8.800 -16.048 9.103 1.00 0.00 O ATOM 451 OE2 GLU A 28 9.989 -15.605 10.898 1.00 0.00 O ATOM 0 H GLU A 28 9.411 -12.866 6.649 1.00 0.00 H new ATOM 0 HA GLU A 28 10.587 -13.064 9.189 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.929 -14.783 7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.658 -14.688 6.922 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.406 -16.513 8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.932 -15.209 9.422 1.00 0.00 H new ATOM 458 N ASP A 29 12.526 -11.890 6.841 1.00 0.00 N ATOM 459 CA ASP A 29 13.822 -11.276 6.578 1.00 0.00 C ATOM 460 C ASP A 29 14.935 -12.318 6.613 1.00 0.00 C ATOM 461 O ASP A 29 16.039 -12.046 7.086 1.00 0.00 O ATOM 462 CB ASP A 29 14.105 -10.174 7.600 1.00 0.00 C ATOM 463 CG ASP A 29 13.544 -8.832 7.174 1.00 0.00 C ATOM 464 OD1 ASP A 29 13.506 -8.564 5.955 1.00 0.00 O ATOM 465 OD2 ASP A 29 13.142 -8.048 8.060 1.00 0.00 O ATOM 0 H ASP A 29 11.856 -11.806 6.076 1.00 0.00 H new ATOM 0 HA ASP A 29 13.792 -10.837 5.581 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.676 -10.455 8.562 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.182 -10.085 7.745 1.00 0.00 H new ATOM 470 N ASP A 30 14.638 -13.512 6.111 1.00 0.00 N ATOM 471 CA ASP A 30 15.614 -14.595 6.085 1.00 0.00 C ATOM 472 C ASP A 30 16.270 -14.703 4.712 1.00 0.00 C ATOM 473 O ASP A 30 16.645 -15.792 4.277 1.00 0.00 O ATOM 474 CB ASP A 30 14.945 -15.921 6.449 1.00 0.00 C ATOM 475 CG ASP A 30 14.966 -16.189 7.941 1.00 0.00 C ATOM 476 OD1 ASP A 30 16.059 -16.463 8.480 1.00 0.00 O ATOM 477 OD2 ASP A 30 13.890 -16.124 8.571 1.00 0.00 O ATOM 0 H ASP A 30 13.729 -13.754 5.717 1.00 0.00 H new ATOM 0 HA ASP A 30 16.387 -14.372 6.821 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.913 -15.912 6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.451 -16.735 5.929 1.00 0.00 H new ATOM 482 N SER A 31 16.406 -13.567 4.035 1.00 0.00 N ATOM 483 CA SER A 31 17.018 -13.534 2.712 1.00 0.00 C ATOM 484 C SER A 31 18.283 -12.681 2.719 1.00 0.00 C ATOM 485 O SER A 31 18.502 -11.869 1.819 1.00 0.00 O ATOM 486 CB SER A 31 16.024 -12.990 1.683 1.00 0.00 C ATOM 487 OG SER A 31 15.078 -13.978 1.314 1.00 0.00 O ATOM 0 H SER A 31 16.101 -12.657 4.381 1.00 0.00 H new ATOM 0 HA SER A 31 17.292 -14.553 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.507 -12.123 2.095 1.00 0.00 H new ATOM 0 HB3 SER A 31 16.562 -12.649 0.798 1.00 0.00 H new ATOM 0 HG SER A 31 14.454 -13.604 0.657 1.00 0.00 H new ATOM 493 N ARG A 32 19.112 -12.871 3.739 1.00 0.00 N ATOM 494 CA ARG A 32 20.356 -12.120 3.864 1.00 0.00 C ATOM 495 C ARG A 32 21.258 -12.354 2.656 1.00 0.00 C ATOM 496 O ARG A 32 21.757 -13.459 2.447 1.00 0.00 O ATOM 497 CB ARG A 32 21.089 -12.517 5.147 1.00 0.00 C ATOM 498 CG ARG A 32 21.818 -11.361 5.813 1.00 0.00 C ATOM 499 CD ARG A 32 22.692 -11.842 6.961 1.00 0.00 C ATOM 500 NE ARG A 32 23.716 -10.863 7.316 1.00 0.00 N ATOM 501 CZ ARG A 32 23.483 -9.780 8.055 1.00 0.00 C ATOM 502 NH1 ARG A 32 22.264 -9.535 8.518 1.00 0.00 N ATOM 503 NH2 ARG A 32 24.472 -8.942 8.331 1.00 0.00 N ATOM 0 H ARG A 32 18.945 -13.539 4.492 1.00 0.00 H new ATOM 0 HA ARG A 32 20.108 -11.060 3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 32 20.371 -12.937 5.851 1.00 0.00 H new ATOM 0 HB3 ARG A 32 21.807 -13.304 4.917 1.00 0.00 H new ATOM 0 HG2 ARG A 32 22.434 -10.845 5.077 1.00 0.00 H new ATOM 0 HG3 ARG A 32 21.092 -10.637 6.185 1.00 0.00 H new ATOM 0 HD2 ARG A 32 22.068 -12.046 7.831 1.00 0.00 H new ATOM 0 HD3 ARG A 32 23.169 -12.782 6.684 1.00 0.00 H new ATOM 0 HE ARG A 32 24.666 -11.018 6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 32 21.500 -10.178 8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 32 22.091 -8.704 9.084 1.00 0.00 H new ATOM 0 HH21 ARG A 32 25.411 -9.127 7.977 1.00 0.00 H new ATOM 0 HH22 ARG A 32 24.294 -8.112 8.897 1.00 0.00 H new ATOM 517 N LYS A 33 21.461 -11.306 1.864 1.00 0.00 N ATOM 518 CA LYS A 33 22.302 -11.397 0.677 1.00 0.00 C ATOM 519 C LYS A 33 23.770 -11.184 1.032 1.00 0.00 C ATOM 520 O LYS A 33 24.616 -11.958 0.537 1.00 0.00 O ATOM 521 CB LYS A 33 21.864 -10.366 -0.365 1.00 0.00 C ATOM 522 CG LYS A 33 22.360 -10.671 -1.769 1.00 0.00 C ATOM 523 CD LYS A 33 21.911 -9.611 -2.761 1.00 0.00 C ATOM 524 CE LYS A 33 22.982 -9.335 -3.804 1.00 0.00 C ATOM 525 NZ LYS A 33 23.117 -10.458 -4.772 1.00 0.00 N ATOM 526 OXT LYS A 33 24.062 -10.245 1.803 1.00 0.00 O ATOM 0 H LYS A 33 21.054 -10.384 2.023 1.00 0.00 H new ATOM 0 HA LYS A 33 22.189 -12.397 0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.775 -10.314 -0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.227 -9.383 -0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.448 -10.731 -1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.988 -11.646 -2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.996 -9.938 -3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 33 21.674 -8.690 -2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 33 22.737 -8.419 -4.342 1.00 0.00 H new ATOM 0 HE3 LYS A 33 23.938 -9.167 -3.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.857 -10.231 -5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.376 -11.327 -4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.213 -10.602 -5.265 1.00 0.00 H new TER 540 LYS A 33