USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=6 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+ 156:sc= 0.0125 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -146:sc= 0 (180deg=-0.0286) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 152:sc= -0.426 (180deg=-1.7!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 46:sc= 0.129 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.950 20.686 0.173 1.00 0.00 N ATOM 2 CA MET A 1 -11.712 20.156 -0.988 1.00 0.00 C ATOM 3 C MET A 1 -11.189 18.787 -1.412 1.00 0.00 C ATOM 4 O MET A 1 -10.066 18.665 -1.902 1.00 0.00 O ATOM 5 CB MET A 1 -11.590 21.149 -2.146 1.00 0.00 C ATOM 6 CG MET A 1 -12.700 22.187 -2.176 1.00 0.00 C ATOM 7 SD MET A 1 -12.278 23.682 -1.260 1.00 0.00 S ATOM 8 CE MET A 1 -12.728 24.945 -2.448 1.00 0.00 C ATOM 0 H1 MET A 1 -11.022 21.723 0.191 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.343 20.296 1.053 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.951 20.410 0.088 1.00 0.00 H new ATOM 0 HA MET A 1 -12.758 20.035 -0.705 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.629 21.659 -2.077 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.592 20.599 -3.087 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.919 22.449 -3.211 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.609 21.754 -1.758 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.525 25.930 -2.027 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.144 24.812 -3.359 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.789 24.863 -2.682 1.00 0.00 H new ATOM 20 N LYS A 2 -12.011 17.760 -1.222 1.00 0.00 N ATOM 21 CA LYS A 2 -11.632 16.399 -1.587 1.00 0.00 C ATOM 22 C LYS A 2 -12.452 15.882 -2.752 1.00 0.00 C ATOM 23 O LYS A 2 -12.460 14.680 -3.012 1.00 0.00 O ATOM 24 CB LYS A 2 -11.796 15.446 -0.409 1.00 0.00 C ATOM 25 CG LYS A 2 -13.057 15.692 0.408 1.00 0.00 C ATOM 26 CD LYS A 2 -14.313 15.335 -0.372 1.00 0.00 C ATOM 27 CE LYS A 2 -14.280 13.895 -0.855 1.00 0.00 C ATOM 28 NZ LYS A 2 -15.449 13.570 -1.717 1.00 0.00 N ATOM 0 H LYS A 2 -12.944 17.844 -0.818 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.583 16.438 -1.881 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.809 14.422 -0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.928 15.537 0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.018 15.102 1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.099 16.740 0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.189 15.488 0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.414 16.004 -1.227 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.359 13.720 -1.412 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.265 13.224 0.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.388 12.579 -2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.327 13.712 -1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.449 14.192 -2.550 1.00 0.00 H new ATOM 42 N ASP A 3 -13.147 16.784 -3.448 1.00 0.00 N ATOM 43 CA ASP A 3 -13.978 16.400 -4.588 1.00 0.00 C ATOM 44 C ASP A 3 -13.486 15.090 -5.190 1.00 0.00 C ATOM 45 O ASP A 3 -14.252 14.143 -5.363 1.00 0.00 O ATOM 46 CB ASP A 3 -13.969 17.502 -5.649 1.00 0.00 C ATOM 47 CG ASP A 3 -14.882 17.187 -6.818 1.00 0.00 C ATOM 48 OD1 ASP A 3 -15.963 16.605 -6.586 1.00 0.00 O ATOM 49 OD2 ASP A 3 -14.516 17.521 -7.964 1.00 0.00 O ATOM 0 H ASP A 3 -13.150 17.783 -3.242 1.00 0.00 H new ATOM 0 HA ASP A 3 -15.000 16.260 -4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -14.278 18.443 -5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.952 17.643 -6.014 1.00 0.00 H new ATOM 54 N LEU A 4 -12.190 15.042 -5.477 1.00 0.00 N ATOM 55 CA LEU A 4 -11.576 13.842 -6.026 1.00 0.00 C ATOM 56 C LEU A 4 -10.513 13.275 -5.088 1.00 0.00 C ATOM 57 O LEU A 4 -10.172 12.095 -5.169 1.00 0.00 O ATOM 58 CB LEU A 4 -10.971 14.127 -7.402 1.00 0.00 C ATOM 59 CG LEU A 4 -11.984 14.452 -8.501 1.00 0.00 C ATOM 60 CD1 LEU A 4 -12.280 15.943 -8.530 1.00 0.00 C ATOM 61 CD2 LEU A 4 -11.470 13.982 -9.853 1.00 0.00 C ATOM 0 H LEU A 4 -11.546 15.820 -5.338 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.361 13.093 -6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.277 14.962 -7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.388 13.260 -7.712 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.912 13.923 -8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.003 16.155 -9.318 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.691 16.251 -7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.359 16.493 -8.724 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.203 14.221 -10.624 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.529 14.484 -10.079 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.309 12.904 -9.827 1.00 0.00 H new ATOM 73 N MET A 5 -9.987 14.116 -4.200 1.00 0.00 N ATOM 74 CA MET A 5 -8.961 13.685 -3.255 1.00 0.00 C ATOM 75 C MET A 5 -9.375 12.404 -2.537 1.00 0.00 C ATOM 76 O MET A 5 -8.597 11.454 -2.447 1.00 0.00 O ATOM 77 CB MET A 5 -8.681 14.790 -2.236 1.00 0.00 C ATOM 78 CG MET A 5 -7.238 14.828 -1.762 1.00 0.00 C ATOM 79 SD MET A 5 -7.076 15.444 -0.075 1.00 0.00 S ATOM 80 CE MET A 5 -7.589 14.005 0.861 1.00 0.00 C ATOM 0 H MET A 5 -10.254 15.097 -4.116 1.00 0.00 H new ATOM 0 HA MET A 5 -8.051 13.480 -3.819 1.00 0.00 H new ATOM 0 HB2 MET A 5 -8.935 15.753 -2.678 1.00 0.00 H new ATOM 0 HB3 MET A 5 -9.334 14.652 -1.374 1.00 0.00 H new ATOM 0 HG2 MET A 5 -6.814 13.826 -1.821 1.00 0.00 H new ATOM 0 HG3 MET A 5 -6.656 15.460 -2.433 1.00 0.00 H new ATOM 0 HE1 MET A 5 -8.113 14.325 1.762 1.00 0.00 H new ATOM 0 HE2 MET A 5 -8.255 13.393 0.252 1.00 0.00 H new ATOM 0 HE3 MET A 5 -6.712 13.420 1.139 1.00 0.00 H new ATOM 90 N SER A 6 -10.604 12.382 -2.035 1.00 0.00 N ATOM 91 CA SER A 6 -11.116 11.210 -1.335 1.00 0.00 C ATOM 92 C SER A 6 -11.276 10.036 -2.296 1.00 0.00 C ATOM 93 O SER A 6 -11.305 8.879 -1.877 1.00 0.00 O ATOM 94 CB SER A 6 -12.455 11.530 -0.669 1.00 0.00 C ATOM 95 OG SER A 6 -12.835 10.504 0.232 1.00 0.00 O ATOM 0 H SER A 6 -11.262 13.159 -2.099 1.00 0.00 H new ATOM 0 HA SER A 6 -10.397 10.932 -0.564 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.382 12.478 -0.136 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.224 11.652 -1.432 1.00 0.00 H new ATOM 0 HG SER A 6 -13.693 10.733 0.646 1.00 0.00 H new ATOM 101 N LEU A 7 -11.371 10.342 -3.587 1.00 0.00 N ATOM 102 CA LEU A 7 -11.516 9.312 -4.609 1.00 0.00 C ATOM 103 C LEU A 7 -10.150 8.835 -5.092 1.00 0.00 C ATOM 104 O LEU A 7 -10.041 7.798 -5.742 1.00 0.00 O ATOM 105 CB LEU A 7 -12.333 9.842 -5.788 1.00 0.00 C ATOM 106 CG LEU A 7 -13.012 8.765 -6.637 1.00 0.00 C ATOM 107 CD1 LEU A 7 -14.382 9.236 -7.101 1.00 0.00 C ATOM 108 CD2 LEU A 7 -12.140 8.399 -7.828 1.00 0.00 C ATOM 0 H LEU A 7 -11.350 11.295 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.042 8.466 -4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.097 10.519 -5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -11.678 10.431 -6.430 1.00 0.00 H new ATOM 0 HG LEU A 7 -13.146 7.875 -6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.850 8.457 -7.703 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.007 9.448 -6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -14.272 10.141 -7.699 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.638 7.632 -8.421 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.975 9.283 -8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.182 8.019 -7.474 1.00 0.00 H new ATOM 120 N VAL A 8 -9.110 9.598 -4.767 1.00 0.00 N ATOM 121 CA VAL A 8 -7.753 9.248 -5.163 1.00 0.00 C ATOM 122 C VAL A 8 -7.028 8.530 -4.030 1.00 0.00 C ATOM 123 O VAL A 8 -6.651 7.366 -4.161 1.00 0.00 O ATOM 124 CB VAL A 8 -6.943 10.498 -5.563 1.00 0.00 C ATOM 125 CG1 VAL A 8 -5.594 10.101 -6.144 1.00 0.00 C ATOM 126 CG2 VAL A 8 -7.726 11.355 -6.548 1.00 0.00 C ATOM 0 H VAL A 8 -9.183 10.462 -4.230 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.832 8.586 -6.025 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.765 11.091 -4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.039 10.997 -6.420 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.029 9.538 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.747 9.482 -7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.136 12.231 -6.817 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.942 10.774 -7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.662 11.674 -6.089 1.00 0.00 H new ATOM 136 N ILE A 9 -6.838 9.235 -2.919 1.00 0.00 N ATOM 137 CA ILE A 9 -6.160 8.679 -1.755 1.00 0.00 C ATOM 138 C ILE A 9 -6.815 7.382 -1.282 1.00 0.00 C ATOM 139 O ILE A 9 -6.181 6.564 -0.616 1.00 0.00 O ATOM 140 CB ILE A 9 -6.136 9.694 -0.591 1.00 0.00 C ATOM 141 CG1 ILE A 9 -5.083 9.290 0.439 1.00 0.00 C ATOM 142 CG2 ILE A 9 -7.509 9.813 0.058 1.00 0.00 C ATOM 143 CD1 ILE A 9 -3.686 9.222 -0.134 1.00 0.00 C ATOM 0 H ILE A 9 -7.147 10.200 -2.801 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.138 8.458 -2.063 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.872 10.672 -0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.097 10.004 1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.346 8.318 0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.464 10.534 0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.234 10.149 -0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.813 8.841 0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.986 8.930 0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.658 8.487 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.405 10.200 -0.526 1.00 0.00 H new ATOM 155 N ALA A 10 -8.090 7.206 -1.618 1.00 0.00 N ATOM 156 CA ALA A 10 -8.830 6.015 -1.215 1.00 0.00 C ATOM 157 C ALA A 10 -8.354 4.768 -1.960 1.00 0.00 C ATOM 158 O ALA A 10 -7.857 3.824 -1.346 1.00 0.00 O ATOM 159 CB ALA A 10 -10.321 6.224 -1.433 1.00 0.00 C ATOM 0 H ALA A 10 -8.632 7.873 -2.168 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.641 5.854 -0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.862 5.328 -1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.660 7.073 -0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.510 6.421 -2.488 1.00 0.00 H new ATOM 165 N PRO A 11 -8.511 4.738 -3.296 1.00 0.00 N ATOM 166 CA PRO A 11 -8.104 3.590 -4.116 1.00 0.00 C ATOM 167 C PRO A 11 -6.617 3.267 -3.992 1.00 0.00 C ATOM 168 O PRO A 11 -6.226 2.100 -4.006 1.00 0.00 O ATOM 169 CB PRO A 11 -8.441 4.024 -5.548 1.00 0.00 C ATOM 170 CG PRO A 11 -8.572 5.506 -5.485 1.00 0.00 C ATOM 171 CD PRO A 11 -9.102 5.809 -4.115 1.00 0.00 C ATOM 0 HA PRO A 11 -8.613 2.679 -3.802 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.657 3.727 -6.244 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.366 3.561 -5.893 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.610 5.991 -5.649 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.249 5.872 -6.257 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.796 6.797 -3.772 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.191 5.785 -4.088 1.00 0.00 H new ATOM 179 N ILE A 12 -5.789 4.300 -3.874 1.00 0.00 N ATOM 180 CA ILE A 12 -4.349 4.107 -3.753 1.00 0.00 C ATOM 181 C ILE A 12 -3.989 3.490 -2.406 1.00 0.00 C ATOM 182 O ILE A 12 -2.962 2.826 -2.271 1.00 0.00 O ATOM 183 CB ILE A 12 -3.584 5.436 -3.941 1.00 0.00 C ATOM 184 CG1 ILE A 12 -2.066 5.205 -3.876 1.00 0.00 C ATOM 185 CG2 ILE A 12 -4.032 6.467 -2.913 1.00 0.00 C ATOM 186 CD1 ILE A 12 -1.505 5.108 -2.467 1.00 0.00 C ATOM 0 H ILE A 12 -6.089 5.275 -3.860 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.050 3.421 -4.545 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.818 5.830 -4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.827 4.287 -4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.564 6.019 -4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.480 7.395 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.099 6.656 -3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.838 6.089 -1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.428 4.945 -2.514 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.708 6.034 -1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.975 4.275 -1.945 1.00 0.00 H new ATOM 198 N PHE A 13 -4.843 3.708 -1.417 1.00 0.00 N ATOM 199 CA PHE A 13 -4.618 3.168 -0.081 1.00 0.00 C ATOM 200 C PHE A 13 -4.680 1.645 -0.097 1.00 0.00 C ATOM 201 O PHE A 13 -3.690 0.970 0.185 1.00 0.00 O ATOM 202 CB PHE A 13 -5.654 3.721 0.899 1.00 0.00 C ATOM 203 CG PHE A 13 -5.166 3.781 2.318 1.00 0.00 C ATOM 204 CD1 PHE A 13 -4.121 4.620 2.670 1.00 0.00 C ATOM 205 CD2 PHE A 13 -5.752 2.998 3.300 1.00 0.00 C ATOM 206 CE1 PHE A 13 -3.670 4.677 3.975 1.00 0.00 C ATOM 207 CE2 PHE A 13 -5.305 3.051 4.606 1.00 0.00 C ATOM 208 CZ PHE A 13 -4.262 3.891 4.944 1.00 0.00 C ATOM 0 H PHE A 13 -5.699 4.255 -1.513 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.624 3.473 0.245 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.945 4.722 0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.549 3.100 0.857 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.654 5.236 1.916 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.567 2.339 3.041 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.855 5.336 4.237 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.771 2.436 5.362 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.910 3.933 5.964 1.00 0.00 H new ATOM 218 N VAL A 14 -5.852 1.109 -0.430 1.00 0.00 N ATOM 219 CA VAL A 14 -6.050 -0.336 -0.485 1.00 0.00 C ATOM 220 C VAL A 14 -4.944 -1.024 -1.281 1.00 0.00 C ATOM 221 O VAL A 14 -4.631 -2.189 -1.045 1.00 0.00 O ATOM 222 CB VAL A 14 -7.411 -0.692 -1.112 1.00 0.00 C ATOM 223 CG1 VAL A 14 -7.687 -2.182 -0.983 1.00 0.00 C ATOM 224 CG2 VAL A 14 -8.524 0.122 -0.469 1.00 0.00 C ATOM 0 H VAL A 14 -6.680 1.656 -0.666 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.023 -0.692 0.545 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.377 -0.444 -2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.653 -2.413 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.905 -2.743 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.701 -2.460 0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.478 -0.143 -0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.560 -0.091 0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.332 1.184 -0.620 1.00 0.00 H new ATOM 234 N GLY A 15 -4.356 -0.295 -2.224 1.00 0.00 N ATOM 235 CA GLY A 15 -3.293 -0.853 -3.039 1.00 0.00 C ATOM 236 C GLY A 15 -1.956 -0.871 -2.322 1.00 0.00 C ATOM 237 O GLY A 15 -1.158 -1.790 -2.508 1.00 0.00 O ATOM 0 H GLY A 15 -4.597 0.673 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.559 -1.869 -3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.201 -0.272 -3.957 1.00 0.00 H new ATOM 241 N LEU A 16 -1.709 0.147 -1.504 1.00 0.00 N ATOM 242 CA LEU A 16 -0.457 0.242 -0.761 1.00 0.00 C ATOM 243 C LEU A 16 -0.487 -0.651 0.476 1.00 0.00 C ATOM 244 O LEU A 16 0.544 -1.172 0.900 1.00 0.00 O ATOM 245 CB LEU A 16 -0.185 1.693 -0.357 1.00 0.00 C ATOM 246 CG LEU A 16 0.888 2.406 -1.183 1.00 0.00 C ATOM 247 CD1 LEU A 16 0.600 2.265 -2.671 1.00 0.00 C ATOM 248 CD2 LEU A 16 0.972 3.873 -0.791 1.00 0.00 C ATOM 0 H LEU A 16 -2.358 0.917 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 16 0.348 -0.100 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.115 2.256 -0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.113 1.712 0.691 1.00 0.00 H new ATOM 0 HG LEU A 16 1.850 1.938 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.374 2.778 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.590 1.209 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.371 2.706 -2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.740 4.366 -1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.010 4.353 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.227 3.953 0.266 1.00 0.00 H new ATOM 260 N VAL A 17 -1.674 -0.830 1.045 1.00 0.00 N ATOM 261 CA VAL A 17 -1.829 -1.670 2.229 1.00 0.00 C ATOM 262 C VAL A 17 -1.654 -3.130 1.864 1.00 0.00 C ATOM 263 O VAL A 17 -0.921 -3.868 2.522 1.00 0.00 O ATOM 264 CB VAL A 17 -3.216 -1.518 2.885 1.00 0.00 C ATOM 265 CG1 VAL A 17 -3.142 -1.859 4.365 1.00 0.00 C ATOM 266 CG2 VAL A 17 -3.777 -0.116 2.683 1.00 0.00 C ATOM 0 H VAL A 17 -2.539 -0.408 0.708 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.065 -1.344 2.935 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.895 -2.218 2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.129 -1.747 4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.804 -2.888 4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.440 -1.187 4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.755 -0.044 3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.102 0.614 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.876 0.086 1.616 1.00 0.00 H new ATOM 276 N LEU A 18 -2.349 -3.539 0.810 1.00 0.00 N ATOM 277 CA LEU A 18 -2.294 -4.910 0.347 1.00 0.00 C ATOM 278 C LEU A 18 -0.846 -5.367 0.170 1.00 0.00 C ATOM 279 O LEU A 18 -0.523 -6.538 0.365 1.00 0.00 O ATOM 280 CB LEU A 18 -3.079 -5.040 -0.961 1.00 0.00 C ATOM 281 CG LEU A 18 -2.238 -5.193 -2.226 1.00 0.00 C ATOM 282 CD1 LEU A 18 -1.816 -6.641 -2.400 1.00 0.00 C ATOM 283 CD2 LEU A 18 -3.014 -4.701 -3.435 1.00 0.00 C ATOM 0 H LEU A 18 -2.959 -2.933 0.261 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.750 -5.558 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.742 -5.902 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.712 -4.160 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.338 -4.585 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.217 -6.739 -3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.226 -6.954 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.702 -7.271 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.403 -4.815 -4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.929 -5.284 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.268 -3.650 -3.301 1.00 0.00 H new ATOM 295 N GLU A 19 0.019 -4.426 -0.196 1.00 0.00 N ATOM 296 CA GLU A 19 1.433 -4.717 -0.396 1.00 0.00 C ATOM 297 C GLU A 19 2.144 -4.874 0.943 1.00 0.00 C ATOM 298 O GLU A 19 2.986 -5.755 1.113 1.00 0.00 O ATOM 299 CB GLU A 19 2.092 -3.602 -1.210 1.00 0.00 C ATOM 300 CG GLU A 19 2.048 -3.836 -2.711 1.00 0.00 C ATOM 301 CD GLU A 19 2.633 -2.680 -3.499 1.00 0.00 C ATOM 302 OE1 GLU A 19 2.579 -1.536 -3.002 1.00 0.00 O ATOM 303 OE2 GLU A 19 3.146 -2.920 -4.612 1.00 0.00 O ATOM 0 H GLU A 19 -0.237 -3.452 -0.360 1.00 0.00 H new ATOM 0 HA GLU A 19 1.516 -5.655 -0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.597 -2.657 -0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.131 -3.501 -0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.596 -4.747 -2.949 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.015 -3.996 -3.020 1.00 0.00 H new ATOM 310 N MET A 20 1.797 -4.008 1.892 1.00 0.00 N ATOM 311 CA MET A 20 2.391 -4.034 3.217 1.00 0.00 C ATOM 312 C MET A 20 2.323 -5.425 3.839 1.00 0.00 C ATOM 313 O MET A 20 3.131 -5.763 4.703 1.00 0.00 O ATOM 314 CB MET A 20 1.676 -3.034 4.118 1.00 0.00 C ATOM 315 CG MET A 20 2.474 -2.674 5.349 1.00 0.00 C ATOM 316 SD MET A 20 1.504 -1.777 6.576 1.00 0.00 S ATOM 317 CE MET A 20 0.118 -2.892 6.791 1.00 0.00 C ATOM 0 H MET A 20 1.100 -3.275 1.761 1.00 0.00 H new ATOM 0 HA MET A 20 3.442 -3.763 3.118 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.465 -2.128 3.550 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.716 -3.450 4.423 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.868 -3.585 5.800 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.331 -2.067 5.056 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.289 -2.778 7.796 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.654 -2.658 6.058 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.453 -3.920 6.650 1.00 0.00 H new ATOM 327 N ILE A 21 1.355 -6.223 3.403 1.00 0.00 N ATOM 328 CA ILE A 21 1.188 -7.570 3.926 1.00 0.00 C ATOM 329 C ILE A 21 1.474 -8.611 2.850 1.00 0.00 C ATOM 330 O ILE A 21 2.034 -9.670 3.134 1.00 0.00 O ATOM 331 CB ILE A 21 -0.235 -7.771 4.505 1.00 0.00 C ATOM 332 CG1 ILE A 21 -0.527 -9.258 4.751 1.00 0.00 C ATOM 333 CG2 ILE A 21 -1.285 -7.153 3.589 1.00 0.00 C ATOM 334 CD1 ILE A 21 -0.758 -10.052 3.481 1.00 0.00 C ATOM 0 H ILE A 21 0.676 -5.959 2.689 1.00 0.00 H new ATOM 0 HA ILE A 21 1.907 -7.702 4.734 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.281 -7.259 5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.308 -9.698 5.297 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.407 -9.346 5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.276 -7.307 4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.095 -6.084 3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.235 -7.625 2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.958 -11.093 3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.612 -9.639 2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.129 -9.996 2.850 1.00 0.00 H new ATOM 346 N SER A 22 1.080 -8.314 1.618 1.00 0.00 N ATOM 347 CA SER A 22 1.290 -9.237 0.511 1.00 0.00 C ATOM 348 C SER A 22 2.749 -9.672 0.426 1.00 0.00 C ATOM 349 O SER A 22 3.051 -10.776 -0.026 1.00 0.00 O ATOM 350 CB SER A 22 0.851 -8.597 -0.806 1.00 0.00 C ATOM 351 OG SER A 22 1.221 -9.400 -1.913 1.00 0.00 O ATOM 0 H SER A 22 0.615 -7.444 1.361 1.00 0.00 H new ATOM 0 HA SER A 22 0.683 -10.124 0.693 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.230 -8.454 -0.802 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.303 -7.610 -0.902 1.00 0.00 H new ATOM 0 HG SER A 22 0.927 -8.969 -2.743 1.00 0.00 H new ATOM 357 N ARG A 23 3.649 -8.804 0.874 1.00 0.00 N ATOM 358 CA ARG A 23 5.071 -9.113 0.858 1.00 0.00 C ATOM 359 C ARG A 23 5.466 -9.859 2.127 1.00 0.00 C ATOM 360 O ARG A 23 6.386 -10.677 2.119 1.00 0.00 O ATOM 361 CB ARG A 23 5.898 -7.833 0.716 1.00 0.00 C ATOM 362 CG ARG A 23 5.798 -6.905 1.916 1.00 0.00 C ATOM 363 CD ARG A 23 6.778 -7.298 3.009 1.00 0.00 C ATOM 364 NE ARG A 23 7.835 -6.304 3.180 1.00 0.00 N ATOM 365 CZ ARG A 23 8.647 -6.259 4.234 1.00 0.00 C ATOM 366 NH1 ARG A 23 8.528 -7.150 5.211 1.00 0.00 N ATOM 367 NH2 ARG A 23 9.582 -5.322 4.311 1.00 0.00 N ATOM 0 H ARG A 23 3.419 -7.885 1.251 1.00 0.00 H new ATOM 0 HA ARG A 23 5.274 -9.753 -0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.943 -8.101 0.561 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.571 -7.297 -0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.994 -5.880 1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.782 -6.928 2.311 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.241 -7.422 3.950 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.223 -8.263 2.767 1.00 0.00 H new ATOM 0 HE ARG A 23 7.958 -5.603 2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.812 -7.874 5.156 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.153 -7.111 6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.679 -4.636 3.563 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.204 -5.287 5.119 1.00 0.00 H new ATOM 381 N VAL A 24 4.753 -9.582 3.215 1.00 0.00 N ATOM 382 CA VAL A 24 5.019 -10.240 4.489 1.00 0.00 C ATOM 383 C VAL A 24 4.742 -11.732 4.382 1.00 0.00 C ATOM 384 O VAL A 24 5.278 -12.532 5.149 1.00 0.00 O ATOM 385 CB VAL A 24 4.170 -9.652 5.628 1.00 0.00 C ATOM 386 CG1 VAL A 24 4.676 -10.143 6.975 1.00 0.00 C ATOM 387 CG2 VAL A 24 4.174 -8.133 5.569 1.00 0.00 C ATOM 0 H VAL A 24 3.988 -8.908 3.239 1.00 0.00 H new ATOM 0 HA VAL A 24 6.070 -10.071 4.722 1.00 0.00 H new ATOM 0 HB VAL A 24 3.142 -9.992 5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.064 -9.718 7.771 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.615 -11.231 7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.712 -9.833 7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.568 -7.736 6.383 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.196 -7.768 5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.761 -7.805 4.615 1.00 0.00 H new ATOM 397 N LEU A 25 3.909 -12.100 3.413 1.00 0.00 N ATOM 398 CA LEU A 25 3.564 -13.498 3.183 1.00 0.00 C ATOM 399 C LEU A 25 4.726 -14.266 2.567 1.00 0.00 C ATOM 400 O LEU A 25 4.550 -15.380 2.073 1.00 0.00 O ATOM 401 CB LEU A 25 2.338 -13.594 2.275 1.00 0.00 C ATOM 402 CG LEU A 25 0.995 -13.365 2.970 1.00 0.00 C ATOM 403 CD1 LEU A 25 -0.031 -12.829 1.985 1.00 0.00 C ATOM 404 CD2 LEU A 25 0.501 -14.654 3.610 1.00 0.00 C ATOM 0 H LEU A 25 3.459 -11.446 2.772 1.00 0.00 H new ATOM 0 HA LEU A 25 3.337 -13.948 4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.442 -12.865 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.326 -14.580 1.811 1.00 0.00 H new ATOM 0 HG LEU A 25 1.135 -12.623 3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.980 -12.672 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.320 -11.883 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.169 -13.547 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.456 -14.473 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.377 -15.417 2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.228 -14.996 4.347 1.00 0.00 H new ATOM 416 N ASP A 26 5.909 -13.668 2.587 1.00 0.00 N ATOM 417 CA ASP A 26 7.082 -14.298 2.022 1.00 0.00 C ATOM 418 C ASP A 26 8.350 -13.788 2.700 1.00 0.00 C ATOM 419 O ASP A 26 9.186 -14.574 3.146 1.00 0.00 O ATOM 420 CB ASP A 26 7.113 -14.012 0.530 1.00 0.00 C ATOM 421 CG ASP A 26 7.938 -15.022 -0.244 1.00 0.00 C ATOM 422 OD1 ASP A 26 8.049 -16.177 0.219 1.00 0.00 O ATOM 423 OD2 ASP A 26 8.473 -14.659 -1.312 1.00 0.00 O ATOM 0 H ASP A 26 6.076 -12.746 2.990 1.00 0.00 H new ATOM 0 HA ASP A 26 7.036 -15.374 2.187 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.094 -14.010 0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.519 -13.014 0.364 1.00 0.00 H new ATOM 428 N GLU A 27 8.476 -12.464 2.779 1.00 0.00 N ATOM 429 CA GLU A 27 9.633 -11.826 3.409 1.00 0.00 C ATOM 430 C GLU A 27 10.936 -12.531 3.037 1.00 0.00 C ATOM 431 O GLU A 27 11.434 -13.371 3.787 1.00 0.00 O ATOM 432 CB GLU A 27 9.463 -11.803 4.930 1.00 0.00 C ATOM 433 CG GLU A 27 9.060 -13.144 5.517 1.00 0.00 C ATOM 434 CD GLU A 27 9.024 -13.131 7.033 1.00 0.00 C ATOM 435 OE1 GLU A 27 8.903 -12.032 7.614 1.00 0.00 O ATOM 436 OE2 GLU A 27 9.117 -14.219 7.639 1.00 0.00 O ATOM 0 H GLU A 27 7.787 -11.808 2.412 1.00 0.00 H new ATOM 0 HA GLU A 27 9.689 -10.803 3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.399 -11.482 5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.710 -11.060 5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.077 -13.422 5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.760 -13.909 5.181 1.00 0.00 H new ATOM 443 N GLU A 28 11.481 -12.182 1.877 1.00 0.00 N ATOM 444 CA GLU A 28 12.725 -12.781 1.406 1.00 0.00 C ATOM 445 C GLU A 28 13.910 -12.290 2.230 1.00 0.00 C ATOM 446 O GLU A 28 14.244 -11.105 2.211 1.00 0.00 O ATOM 447 CB GLU A 28 12.945 -12.455 -0.072 1.00 0.00 C ATOM 448 CG GLU A 28 12.329 -13.473 -1.018 1.00 0.00 C ATOM 449 CD GLU A 28 12.325 -13.001 -2.459 1.00 0.00 C ATOM 450 OE1 GLU A 28 13.415 -12.927 -3.062 1.00 0.00 O ATOM 451 OE2 GLU A 28 11.230 -12.707 -2.984 1.00 0.00 O ATOM 0 H GLU A 28 11.081 -11.488 1.246 1.00 0.00 H new ATOM 0 HA GLU A 28 12.647 -13.862 1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.524 -11.472 -0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.016 -12.392 -0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.882 -14.410 -0.948 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.306 -13.682 -0.705 1.00 0.00 H new ATOM 458 N ASP A 29 14.544 -13.208 2.952 1.00 0.00 N ATOM 459 CA ASP A 29 15.693 -12.869 3.783 1.00 0.00 C ATOM 460 C ASP A 29 16.974 -13.468 3.211 1.00 0.00 C ATOM 461 O ASP A 29 17.023 -14.652 2.878 1.00 0.00 O ATOM 462 CB ASP A 29 15.479 -13.365 5.214 1.00 0.00 C ATOM 463 CG ASP A 29 14.789 -12.335 6.086 1.00 0.00 C ATOM 464 OD1 ASP A 29 13.671 -11.907 5.729 1.00 0.00 O ATOM 465 OD2 ASP A 29 15.367 -11.956 7.127 1.00 0.00 O ATOM 0 H ASP A 29 14.281 -14.193 2.978 1.00 0.00 H new ATOM 0 HA ASP A 29 15.794 -11.784 3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.883 -14.278 5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.442 -13.623 5.654 1.00 0.00 H new ATOM 470 N ASP A 30 18.009 -12.642 3.101 1.00 0.00 N ATOM 471 CA ASP A 30 19.291 -13.090 2.569 1.00 0.00 C ATOM 472 C ASP A 30 20.449 -12.449 3.329 1.00 0.00 C ATOM 473 O ASP A 30 21.390 -13.130 3.735 1.00 0.00 O ATOM 474 CB ASP A 30 19.395 -12.755 1.080 1.00 0.00 C ATOM 475 CG ASP A 30 18.882 -13.877 0.198 1.00 0.00 C ATOM 476 OD1 ASP A 30 17.823 -14.452 0.525 1.00 0.00 O ATOM 477 OD2 ASP A 30 19.540 -14.180 -0.819 1.00 0.00 O ATOM 0 H ASP A 30 17.985 -11.659 3.373 1.00 0.00 H new ATOM 0 HA ASP A 30 19.351 -14.171 2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.829 -11.847 0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 30 20.435 -12.546 0.829 1.00 0.00 H new ATOM 482 N SER A 31 20.371 -11.136 3.517 1.00 0.00 N ATOM 483 CA SER A 31 21.412 -10.403 4.228 1.00 0.00 C ATOM 484 C SER A 31 20.819 -9.585 5.370 1.00 0.00 C ATOM 485 O SER A 31 20.183 -8.556 5.145 1.00 0.00 O ATOM 486 CB SER A 31 22.165 -9.483 3.265 1.00 0.00 C ATOM 487 OG SER A 31 21.268 -8.775 2.428 1.00 0.00 O ATOM 0 H SER A 31 19.598 -10.558 3.187 1.00 0.00 H new ATOM 0 HA SER A 31 22.109 -11.128 4.648 1.00 0.00 H new ATOM 0 HB2 SER A 31 22.772 -8.777 3.832 1.00 0.00 H new ATOM 0 HB3 SER A 31 22.849 -10.072 2.654 1.00 0.00 H new ATOM 0 HG SER A 31 20.537 -8.409 2.968 1.00 0.00 H new ATOM 493 N ARG A 32 21.031 -10.051 6.597 1.00 0.00 N ATOM 494 CA ARG A 32 20.516 -9.363 7.775 1.00 0.00 C ATOM 495 C ARG A 32 21.245 -8.041 7.994 1.00 0.00 C ATOM 496 O ARG A 32 22.419 -8.021 8.363 1.00 0.00 O ATOM 497 CB ARG A 32 20.662 -10.250 9.013 1.00 0.00 C ATOM 498 CG ARG A 32 19.467 -11.158 9.254 1.00 0.00 C ATOM 499 CD ARG A 32 19.894 -12.495 9.840 1.00 0.00 C ATOM 500 NE ARG A 32 20.290 -12.377 11.241 1.00 0.00 N ATOM 501 CZ ARG A 32 19.428 -12.257 12.248 1.00 0.00 C ATOM 502 NH1 ARG A 32 18.121 -12.238 12.014 1.00 0.00 N ATOM 503 NH2 ARG A 32 19.873 -12.155 13.493 1.00 0.00 N ATOM 0 H ARG A 32 21.556 -10.902 6.801 1.00 0.00 H new ATOM 0 HA ARG A 32 19.459 -9.152 7.610 1.00 0.00 H new ATOM 0 HB2 ARG A 32 21.558 -10.862 8.908 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.809 -9.617 9.888 1.00 0.00 H new ATOM 0 HG2 ARG A 32 18.768 -10.669 9.932 1.00 0.00 H new ATOM 0 HG3 ARG A 32 18.938 -11.323 8.315 1.00 0.00 H new ATOM 0 HD2 ARG A 32 19.073 -13.207 9.754 1.00 0.00 H new ATOM 0 HD3 ARG A 32 20.726 -12.896 9.261 1.00 0.00 H new ATOM 0 HE ARG A 32 21.286 -12.387 11.461 1.00 0.00 H new ATOM 0 HH11 ARG A 32 17.773 -12.316 11.058 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.465 -12.146 12.790 1.00 0.00 H new ATOM 0 HH21 ARG A 32 20.876 -12.168 13.679 1.00 0.00 H new ATOM 0 HH22 ARG A 32 19.212 -12.063 14.265 1.00 0.00 H new ATOM 517 N LYS A 33 20.540 -6.938 7.764 1.00 0.00 N ATOM 518 CA LYS A 33 21.119 -5.611 7.937 1.00 0.00 C ATOM 519 C LYS A 33 21.215 -5.247 9.415 1.00 0.00 C ATOM 520 O LYS A 33 20.185 -5.341 10.115 1.00 0.00 O ATOM 521 CB LYS A 33 20.283 -4.566 7.195 1.00 0.00 C ATOM 522 CG LYS A 33 20.306 -4.730 5.684 1.00 0.00 C ATOM 523 CD LYS A 33 19.125 -5.553 5.196 1.00 0.00 C ATOM 524 CE LYS A 33 19.056 -5.583 3.678 1.00 0.00 C ATOM 525 NZ LYS A 33 17.689 -5.914 3.190 1.00 0.00 N ATOM 526 OXT LYS A 33 22.320 -4.871 9.861 1.00 0.00 O ATOM 0 H LYS A 33 19.567 -6.937 7.457 1.00 0.00 H new ATOM 0 HA LYS A 33 22.126 -5.624 7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 33 19.252 -4.624 7.543 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.650 -3.572 7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 33 20.288 -3.749 5.210 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.236 -5.212 5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 33 19.207 -6.571 5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.200 -5.136 5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.358 -4.613 3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.765 -6.318 3.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.685 -5.924 2.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.410 -6.850 3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.016 -5.199 3.532 1.00 0.00 H new TER 540 LYS A 33