USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=7 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 150:sc= -0.258 (180deg=-1.08) USER MOD Single : A 1 MET N :NH3+ -102:sc= 0.0671 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 142:sc= -1.31 (180deg=-2.91!) 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 -64:sc= 0.526 USER MOD Single : A 31 SER OG : rot 180:sc= -0.184 USER MOD Single : A 33 LYS NZ :NH3+ -153:sc= -0.0988 (180deg=-0.436) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.284 18.656 -1.795 1.00 0.00 N ATOM 2 CA MET A 1 -16.218 17.663 -2.899 1.00 0.00 C ATOM 3 C MET A 1 -14.988 16.772 -2.766 1.00 0.00 C ATOM 4 O MET A 1 -14.036 17.111 -2.063 1.00 0.00 O ATOM 5 CB MET A 1 -16.183 18.417 -4.230 1.00 0.00 C ATOM 6 CG MET A 1 -17.558 18.648 -4.835 1.00 0.00 C ATOM 7 SD MET A 1 -18.193 20.303 -4.503 1.00 0.00 S ATOM 8 CE MET A 1 -16.975 21.309 -5.348 1.00 0.00 C ATOM 0 H1 MET A 1 -16.979 18.343 -1.087 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.349 18.741 -1.348 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.571 19.580 -2.176 1.00 0.00 H new ATOM 0 HA MET A 1 -17.096 17.019 -2.854 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.695 19.380 -4.080 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.573 17.858 -4.939 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.508 18.492 -5.913 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.254 17.909 -4.438 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.444 22.227 -5.702 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.167 21.556 -4.660 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.573 20.757 -6.197 1.00 0.00 H new ATOM 20 N LYS A 2 -15.014 15.631 -3.448 1.00 0.00 N ATOM 21 CA LYS A 2 -13.900 14.690 -3.408 1.00 0.00 C ATOM 22 C LYS A 2 -13.188 14.611 -4.743 1.00 0.00 C ATOM 23 O LYS A 2 -12.414 13.683 -4.973 1.00 0.00 O ATOM 24 CB LYS A 2 -14.371 13.294 -3.021 1.00 0.00 C ATOM 25 CG LYS A 2 -15.693 12.895 -3.660 1.00 0.00 C ATOM 26 CD LYS A 2 -15.563 12.721 -5.166 1.00 0.00 C ATOM 27 CE LYS A 2 -14.493 11.703 -5.520 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.258 11.630 -6.988 1.00 0.00 N ATOM 0 H LYS A 2 -15.794 15.336 -4.035 1.00 0.00 H new ATOM 0 HA LYS A 2 -13.206 15.062 -2.655 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.607 12.571 -3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.471 13.242 -1.937 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.045 11.964 -3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.444 13.655 -3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.520 12.403 -5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.320 13.680 -5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.562 11.965 -5.016 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.790 10.721 -5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.521 10.924 -7.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.139 11.355 -7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.950 12.560 -7.337 1.00 0.00 H new ATOM 42 N ASP A 3 -13.455 15.574 -5.624 1.00 0.00 N ATOM 43 CA ASP A 3 -12.836 15.599 -6.947 1.00 0.00 C ATOM 44 C ASP A 3 -11.522 14.829 -6.941 1.00 0.00 C ATOM 45 O ASP A 3 -11.301 13.944 -7.768 1.00 0.00 O ATOM 46 CB ASP A 3 -12.598 17.042 -7.396 1.00 0.00 C ATOM 47 CG ASP A 3 -12.251 17.140 -8.868 1.00 0.00 C ATOM 48 OD1 ASP A 3 -11.100 16.816 -9.230 1.00 0.00 O ATOM 49 OD2 ASP A 3 -13.129 17.542 -9.660 1.00 0.00 O ATOM 0 H ASP A 3 -14.096 16.347 -5.445 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.515 15.118 -7.651 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.491 17.634 -7.196 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.790 17.475 -6.806 1.00 0.00 H new ATOM 54 N LEU A 4 -10.664 15.161 -5.982 1.00 0.00 N ATOM 55 CA LEU A 4 -9.382 14.485 -5.845 1.00 0.00 C ATOM 56 C LEU A 4 -9.261 13.756 -4.508 1.00 0.00 C ATOM 57 O LEU A 4 -8.432 12.858 -4.361 1.00 0.00 O ATOM 58 CB LEU A 4 -8.229 15.477 -6.012 1.00 0.00 C ATOM 59 CG LEU A 4 -7.842 15.782 -7.460 1.00 0.00 C ATOM 60 CD1 LEU A 4 -8.652 16.953 -7.993 1.00 0.00 C ATOM 61 CD2 LEU A 4 -6.352 16.070 -7.563 1.00 0.00 C ATOM 0 H LEU A 4 -10.834 15.892 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.326 13.737 -6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.499 16.411 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.354 15.085 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.065 14.906 -8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.363 17.156 -9.024 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.714 16.709 -7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.461 17.836 -7.383 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.094 16.285 -8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.104 16.930 -6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.789 15.201 -7.222 1.00 0.00 H new ATOM 73 N MET A 5 -10.080 14.141 -3.533 1.00 0.00 N ATOM 74 CA MET A 5 -10.040 13.511 -2.216 1.00 0.00 C ATOM 75 C MET A 5 -10.174 11.996 -2.327 1.00 0.00 C ATOM 76 O MET A 5 -9.397 11.249 -1.732 1.00 0.00 O ATOM 77 CB MET A 5 -11.146 14.071 -1.320 1.00 0.00 C ATOM 78 CG MET A 5 -11.164 15.589 -1.252 1.00 0.00 C ATOM 79 SD MET A 5 -12.234 16.212 0.060 1.00 0.00 S ATOM 80 CE MET A 5 -12.163 17.974 -0.252 1.00 0.00 C ATOM 0 H MET A 5 -10.775 14.881 -3.628 1.00 0.00 H new ATOM 0 HA MET A 5 -9.073 13.737 -1.767 1.00 0.00 H new ATOM 0 HB2 MET A 5 -12.111 13.721 -1.686 1.00 0.00 H new ATOM 0 HB3 MET A 5 -11.023 13.672 -0.313 1.00 0.00 H new ATOM 0 HG2 MET A 5 -10.149 15.954 -1.092 1.00 0.00 H new ATOM 0 HG3 MET A 5 -11.499 15.988 -2.209 1.00 0.00 H new ATOM 0 HE1 MET A 5 -13.144 18.415 -0.073 1.00 0.00 H new ATOM 0 HE2 MET A 5 -11.432 18.432 0.414 1.00 0.00 H new ATOM 0 HE3 MET A 5 -11.870 18.149 -1.287 1.00 0.00 H new ATOM 90 N SER A 6 -11.157 11.548 -3.098 1.00 0.00 N ATOM 91 CA SER A 6 -11.381 10.120 -3.291 1.00 0.00 C ATOM 92 C SER A 6 -10.303 9.519 -4.191 1.00 0.00 C ATOM 93 O SER A 6 -10.164 8.299 -4.279 1.00 0.00 O ATOM 94 CB SER A 6 -12.764 9.876 -3.898 1.00 0.00 C ATOM 95 OG SER A 6 -13.221 8.565 -3.615 1.00 0.00 O ATOM 0 H SER A 6 -11.810 12.150 -3.599 1.00 0.00 H new ATOM 0 HA SER A 6 -11.330 9.634 -2.317 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.472 10.605 -3.503 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.723 10.025 -4.977 1.00 0.00 H new ATOM 0 HG SER A 6 -14.107 8.435 -4.012 1.00 0.00 H new ATOM 101 N LEU A 7 -9.543 10.385 -4.858 1.00 0.00 N ATOM 102 CA LEU A 7 -8.480 9.942 -5.750 1.00 0.00 C ATOM 103 C LEU A 7 -7.165 9.758 -5.001 1.00 0.00 C ATOM 104 O LEU A 7 -6.266 9.075 -5.486 1.00 0.00 O ATOM 105 CB LEU A 7 -8.293 10.941 -6.892 1.00 0.00 C ATOM 106 CG LEU A 7 -7.579 10.383 -8.125 1.00 0.00 C ATOM 107 CD1 LEU A 7 -8.240 10.883 -9.399 1.00 0.00 C ATOM 108 CD2 LEU A 7 -6.105 10.761 -8.102 1.00 0.00 C ATOM 0 H LEU A 7 -9.646 11.398 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.774 8.977 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.272 11.313 -7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.729 11.796 -6.519 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.656 9.296 -8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.718 10.475 -10.264 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.281 10.561 -9.419 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.196 11.972 -9.429 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.612 10.356 -8.986 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.008 11.847 -8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.638 10.351 -7.206 1.00 0.00 H new ATOM 120 N VAL A 8 -7.047 10.367 -3.822 1.00 0.00 N ATOM 121 CA VAL A 8 -5.823 10.243 -3.038 1.00 0.00 C ATOM 122 C VAL A 8 -5.955 9.150 -1.975 1.00 0.00 C ATOM 123 O VAL A 8 -5.087 8.287 -1.853 1.00 0.00 O ATOM 124 CB VAL A 8 -5.424 11.586 -2.376 1.00 0.00 C ATOM 125 CG1 VAL A 8 -6.217 11.844 -1.103 1.00 0.00 C ATOM 126 CG2 VAL A 8 -3.930 11.611 -2.091 1.00 0.00 C ATOM 0 H VAL A 8 -7.773 10.942 -3.395 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.031 9.961 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.663 12.386 -3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.908 12.795 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.281 11.881 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.031 11.042 -0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.664 12.560 -1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.674 10.793 -1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.379 11.498 -3.025 1.00 0.00 H new ATOM 136 N ILE A 9 -7.047 9.194 -1.214 1.00 0.00 N ATOM 137 CA ILE A 9 -7.300 8.217 -0.164 1.00 0.00 C ATOM 138 C ILE A 9 -7.440 6.804 -0.728 1.00 0.00 C ATOM 139 O ILE A 9 -7.138 5.823 -0.051 1.00 0.00 O ATOM 140 CB ILE A 9 -8.574 8.580 0.632 1.00 0.00 C ATOM 141 CG1 ILE A 9 -8.568 7.870 1.984 1.00 0.00 C ATOM 142 CG2 ILE A 9 -9.831 8.232 -0.156 1.00 0.00 C ATOM 143 CD1 ILE A 9 -7.378 8.235 2.841 1.00 0.00 C ATOM 0 H ILE A 9 -7.774 9.903 -1.309 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.439 8.239 0.503 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.578 9.657 0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.484 8.117 2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.574 6.792 1.822 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.712 8.498 0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.837 8.786 -1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.844 7.162 -0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.433 7.697 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.459 7.963 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.383 9.308 3.032 1.00 0.00 H new ATOM 155 N ALA A 10 -7.910 6.711 -1.966 1.00 0.00 N ATOM 156 CA ALA A 10 -8.104 5.420 -2.618 1.00 0.00 C ATOM 157 C ALA A 10 -6.777 4.706 -2.878 1.00 0.00 C ATOM 158 O ALA A 10 -6.558 3.596 -2.392 1.00 0.00 O ATOM 159 CB ALA A 10 -8.867 5.602 -3.921 1.00 0.00 C ATOM 0 H ALA A 10 -8.164 7.515 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.686 4.793 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.006 4.633 -4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.840 6.048 -3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.302 6.256 -4.585 1.00 0.00 H new ATOM 165 N PRO A 11 -5.879 5.324 -3.665 1.00 0.00 N ATOM 166 CA PRO A 11 -4.580 4.728 -4.002 1.00 0.00 C ATOM 167 C PRO A 11 -3.658 4.560 -2.796 1.00 0.00 C ATOM 168 O PRO A 11 -2.819 3.659 -2.775 1.00 0.00 O ATOM 169 CB PRO A 11 -3.978 5.723 -4.999 1.00 0.00 C ATOM 170 CG PRO A 11 -4.666 7.010 -4.715 1.00 0.00 C ATOM 171 CD PRO A 11 -6.062 6.640 -4.303 1.00 0.00 C ATOM 0 HA PRO A 11 -4.700 3.718 -4.395 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.900 5.813 -4.866 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.146 5.403 -6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.157 7.560 -3.924 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.675 7.652 -5.596 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.486 7.369 -3.612 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.734 6.584 -5.159 1.00 0.00 H new ATOM 179 N ILE A 12 -3.805 5.424 -1.796 1.00 0.00 N ATOM 180 CA ILE A 12 -2.966 5.346 -0.606 1.00 0.00 C ATOM 181 C ILE A 12 -3.432 4.234 0.321 1.00 0.00 C ATOM 182 O ILE A 12 -2.629 3.618 1.022 1.00 0.00 O ATOM 183 CB ILE A 12 -2.924 6.691 0.155 1.00 0.00 C ATOM 184 CG1 ILE A 12 -1.909 6.632 1.306 1.00 0.00 C ATOM 185 CG2 ILE A 12 -4.309 7.079 0.659 1.00 0.00 C ATOM 186 CD1 ILE A 12 -2.388 5.866 2.527 1.00 0.00 C ATOM 0 H ILE A 12 -4.491 6.179 -1.786 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.955 5.118 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.599 7.465 -0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.991 6.172 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.659 7.650 1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.250 8.029 1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.989 7.178 -0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.680 6.308 1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.610 5.874 3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.288 6.337 2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.610 4.836 2.247 1.00 0.00 H new ATOM 198 N PHE A 13 -4.728 3.969 0.308 1.00 0.00 N ATOM 199 CA PHE A 13 -5.295 2.915 1.137 1.00 0.00 C ATOM 200 C PHE A 13 -4.917 1.553 0.575 1.00 0.00 C ATOM 201 O PHE A 13 -4.165 0.801 1.193 1.00 0.00 O ATOM 202 CB PHE A 13 -6.816 3.049 1.211 1.00 0.00 C ATOM 203 CG PHE A 13 -7.428 2.308 2.364 1.00 0.00 C ATOM 204 CD1 PHE A 13 -7.443 2.865 3.632 1.00 0.00 C ATOM 205 CD2 PHE A 13 -7.989 1.055 2.179 1.00 0.00 C ATOM 206 CE1 PHE A 13 -8.006 2.186 4.696 1.00 0.00 C ATOM 207 CE2 PHE A 13 -8.554 0.370 3.239 1.00 0.00 C ATOM 208 CZ PHE A 13 -8.562 0.936 4.499 1.00 0.00 C ATOM 0 H PHE A 13 -5.408 4.468 -0.266 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.891 3.010 2.145 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.076 4.105 1.289 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.251 2.681 0.282 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.010 3.841 3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.985 0.608 1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -8.012 2.631 5.680 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -8.988 -0.606 3.082 1.00 0.00 H new ATOM 0 HZ PHE A 13 -9.002 0.403 5.329 1.00 0.00 H new ATOM 218 N VAL A 14 -5.431 1.251 -0.612 1.00 0.00 N ATOM 219 CA VAL A 14 -5.140 -0.015 -1.270 1.00 0.00 C ATOM 220 C VAL A 14 -3.637 -0.203 -1.461 1.00 0.00 C ATOM 221 O VAL A 14 -3.163 -1.324 -1.629 1.00 0.00 O ATOM 222 CB VAL A 14 -5.835 -0.108 -2.641 1.00 0.00 C ATOM 223 CG1 VAL A 14 -5.698 -1.509 -3.216 1.00 0.00 C ATOM 224 CG2 VAL A 14 -7.300 0.287 -2.525 1.00 0.00 C ATOM 0 H VAL A 14 -6.052 1.867 -1.138 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.523 -0.803 -0.622 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.347 0.589 -3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.195 -1.555 -4.185 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.642 -1.750 -3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.158 -2.227 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.775 0.215 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.803 -0.383 -1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.373 1.312 -2.161 1.00 0.00 H new ATOM 234 N GLY A 15 -2.891 0.900 -1.436 1.00 0.00 N ATOM 235 CA GLY A 15 -1.453 0.825 -1.608 1.00 0.00 C ATOM 236 C GLY A 15 -0.730 0.491 -0.317 1.00 0.00 C ATOM 237 O GLY A 15 0.364 -0.073 -0.340 1.00 0.00 O ATOM 0 H GLY A 15 -3.258 1.842 -1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.219 0.069 -2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.086 1.777 -1.990 1.00 0.00 H new ATOM 241 N LEU A 16 -1.340 0.840 0.811 1.00 0.00 N ATOM 242 CA LEU A 16 -0.743 0.573 2.115 1.00 0.00 C ATOM 243 C LEU A 16 -1.160 -0.799 2.636 1.00 0.00 C ATOM 244 O LEU A 16 -0.414 -1.447 3.370 1.00 0.00 O ATOM 245 CB LEU A 16 -1.140 1.658 3.117 1.00 0.00 C ATOM 246 CG LEU A 16 0.006 2.562 3.578 1.00 0.00 C ATOM 247 CD1 LEU A 16 0.546 3.376 2.412 1.00 0.00 C ATOM 248 CD2 LEU A 16 -0.457 3.478 4.701 1.00 0.00 C ATOM 0 H LEU A 16 -2.246 1.308 0.849 1.00 0.00 H new ATOM 0 HA LEU A 16 0.341 0.581 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.915 2.279 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.581 1.180 3.992 1.00 0.00 H new ATOM 0 HG LEU A 16 0.810 1.932 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.360 4.013 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.916 2.703 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.251 3.997 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.370 4.114 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.279 4.101 4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.795 2.877 5.545 1.00 0.00 H new ATOM 260 N VAL A 17 -2.352 -1.242 2.246 1.00 0.00 N ATOM 261 CA VAL A 17 -2.855 -2.544 2.671 1.00 0.00 C ATOM 262 C VAL A 17 -2.196 -3.646 1.864 1.00 0.00 C ATOM 263 O VAL A 17 -1.545 -4.536 2.412 1.00 0.00 O ATOM 264 CB VAL A 17 -4.383 -2.677 2.497 1.00 0.00 C ATOM 265 CG1 VAL A 17 -4.951 -3.638 3.529 1.00 0.00 C ATOM 266 CG2 VAL A 17 -5.076 -1.321 2.584 1.00 0.00 C ATOM 0 H VAL A 17 -2.985 -0.721 1.639 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.617 -2.634 3.731 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.573 -3.079 1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.029 -3.721 3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.493 -4.619 3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.739 -3.264 4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.151 -1.453 2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.878 -0.873 3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.696 -0.667 1.799 1.00 0.00 H new ATOM 276 N LEU A 18 -2.375 -3.574 0.551 1.00 0.00 N ATOM 277 CA LEU A 18 -1.806 -4.558 -0.353 1.00 0.00 C ATOM 278 C LEU A 18 -0.323 -4.766 -0.060 1.00 0.00 C ATOM 279 O LEU A 18 0.220 -5.847 -0.281 1.00 0.00 O ATOM 280 CB LEU A 18 -1.994 -4.113 -1.804 1.00 0.00 C ATOM 281 CG LEU A 18 -3.339 -4.491 -2.428 1.00 0.00 C ATOM 282 CD1 LEU A 18 -3.588 -3.680 -3.690 1.00 0.00 C ATOM 283 CD2 LEU A 18 -3.385 -5.981 -2.731 1.00 0.00 C ATOM 0 H LEU A 18 -2.913 -2.840 0.090 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.326 -5.504 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.879 -3.030 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.196 -4.546 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.128 -4.262 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.549 -3.962 -4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.598 -2.618 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.795 -3.878 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.348 -6.233 -3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.587 -6.235 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.252 -6.544 -1.807 1.00 0.00 H new ATOM 295 N GLU A 19 0.321 -3.718 0.447 1.00 0.00 N ATOM 296 CA GLU A 19 1.738 -3.775 0.782 1.00 0.00 C ATOM 297 C GLU A 19 1.949 -4.543 2.082 1.00 0.00 C ATOM 298 O GLU A 19 2.886 -5.332 2.206 1.00 0.00 O ATOM 299 CB GLU A 19 2.306 -2.361 0.914 1.00 0.00 C ATOM 300 CG GLU A 19 2.864 -1.806 -0.387 1.00 0.00 C ATOM 301 CD GLU A 19 3.211 -0.333 -0.290 1.00 0.00 C ATOM 302 OE1 GLU A 19 3.595 0.116 0.810 1.00 0.00 O ATOM 303 OE2 GLU A 19 3.098 0.372 -1.315 1.00 0.00 O ATOM 0 H GLU A 19 -0.119 -2.817 0.635 1.00 0.00 H new ATOM 0 HA GLU A 19 2.261 -4.295 -0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.522 -1.696 1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.095 -2.364 1.666 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.755 -2.368 -0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.134 -1.952 -1.183 1.00 0.00 H new ATOM 310 N MET A 20 1.068 -4.303 3.048 1.00 0.00 N ATOM 311 CA MET A 20 1.141 -4.961 4.343 1.00 0.00 C ATOM 312 C MET A 20 1.246 -6.475 4.196 1.00 0.00 C ATOM 313 O MET A 20 2.000 -7.128 4.917 1.00 0.00 O ATOM 314 CB MET A 20 -0.095 -4.610 5.168 1.00 0.00 C ATOM 315 CG MET A 20 0.127 -4.735 6.659 1.00 0.00 C ATOM 316 SD MET A 20 -1.404 -4.626 7.604 1.00 0.00 S ATOM 317 CE MET A 20 -1.568 -2.851 7.779 1.00 0.00 C ATOM 0 H MET A 20 0.289 -3.651 2.954 1.00 0.00 H new ATOM 0 HA MET A 20 2.039 -4.608 4.850 1.00 0.00 H new ATOM 0 HB2 MET A 20 -0.400 -3.589 4.937 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.917 -5.262 4.874 1.00 0.00 H new ATOM 0 HG2 MET A 20 0.612 -5.688 6.871 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.808 -3.950 6.987 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.472 -2.623 8.344 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.701 -2.456 8.308 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.631 -2.392 6.792 1.00 0.00 H new ATOM 327 N ILE A 21 0.483 -7.027 3.262 1.00 0.00 N ATOM 328 CA ILE A 21 0.489 -8.461 3.024 1.00 0.00 C ATOM 329 C ILE A 21 1.620 -8.846 2.082 1.00 0.00 C ATOM 330 O ILE A 21 2.181 -9.937 2.184 1.00 0.00 O ATOM 331 CB ILE A 21 -0.879 -8.949 2.476 1.00 0.00 C ATOM 332 CG1 ILE A 21 -0.764 -10.351 1.867 1.00 0.00 C ATOM 333 CG2 ILE A 21 -1.442 -7.963 1.459 1.00 0.00 C ATOM 334 CD1 ILE A 21 -0.036 -10.372 0.540 1.00 0.00 C ATOM 0 H ILE A 21 -0.148 -6.501 2.657 1.00 0.00 H new ATOM 0 HA ILE A 21 0.657 -8.957 3.980 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.572 -9.004 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.243 -11.002 2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.764 -10.763 1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.401 -8.328 1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.582 -6.991 1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.747 -7.863 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.009 -11.395 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.568 -9.747 -0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.976 -9.990 0.674 1.00 0.00 H new ATOM 346 N SER A 22 1.954 -7.948 1.167 1.00 0.00 N ATOM 347 CA SER A 22 3.021 -8.204 0.212 1.00 0.00 C ATOM 348 C SER A 22 4.336 -8.486 0.929 1.00 0.00 C ATOM 349 O SER A 22 5.179 -9.232 0.431 1.00 0.00 O ATOM 350 CB SER A 22 3.171 -7.017 -0.737 1.00 0.00 C ATOM 351 OG SER A 22 4.191 -6.132 -0.305 1.00 0.00 O ATOM 0 H SER A 22 1.503 -7.039 1.066 1.00 0.00 H new ATOM 0 HA SER A 22 2.759 -9.088 -0.370 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.402 -7.378 -1.739 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.225 -6.480 -0.802 1.00 0.00 H new ATOM 0 HG SER A 22 3.939 -5.738 0.556 1.00 0.00 H new ATOM 357 N ARG A 23 4.501 -7.894 2.107 1.00 0.00 N ATOM 358 CA ARG A 23 5.710 -8.096 2.893 1.00 0.00 C ATOM 359 C ARG A 23 5.698 -9.480 3.527 1.00 0.00 C ATOM 360 O ARG A 23 6.708 -10.181 3.528 1.00 0.00 O ATOM 361 CB ARG A 23 5.836 -7.016 3.971 1.00 0.00 C ATOM 362 CG ARG A 23 6.907 -5.979 3.670 1.00 0.00 C ATOM 363 CD ARG A 23 6.753 -5.407 2.270 1.00 0.00 C ATOM 364 NE ARG A 23 7.578 -4.218 2.070 1.00 0.00 N ATOM 365 CZ ARG A 23 7.553 -3.476 0.966 1.00 0.00 C ATOM 366 NH1 ARG A 23 6.748 -3.796 -0.040 1.00 0.00 N ATOM 367 NH2 ARG A 23 8.336 -2.410 0.866 1.00 0.00 N ATOM 0 H ARG A 23 3.815 -7.273 2.536 1.00 0.00 H new ATOM 0 HA ARG A 23 6.572 -8.022 2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.876 -6.513 4.083 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.060 -7.492 4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.850 -5.173 4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.893 -6.433 3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.027 -6.165 1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.707 -5.156 2.094 1.00 0.00 H new ATOM 0 HE ARG A 23 8.210 -3.940 2.821 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.144 -4.615 0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.734 -3.223 -0.884 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.957 -2.159 1.635 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.317 -1.841 0.020 1.00 0.00 H new ATOM 381 N VAL A 24 4.541 -9.874 4.048 1.00 0.00 N ATOM 382 CA VAL A 24 4.389 -11.186 4.665 1.00 0.00 C ATOM 383 C VAL A 24 4.772 -12.276 3.680 1.00 0.00 C ATOM 384 O VAL A 24 5.290 -13.326 4.060 1.00 0.00 O ATOM 385 CB VAL A 24 2.945 -11.427 5.144 1.00 0.00 C ATOM 386 CG1 VAL A 24 2.882 -12.637 6.063 1.00 0.00 C ATOM 387 CG2 VAL A 24 2.395 -10.190 5.838 1.00 0.00 C ATOM 0 H VAL A 24 3.695 -9.304 4.055 1.00 0.00 H new ATOM 0 HA VAL A 24 5.050 -11.215 5.531 1.00 0.00 H new ATOM 0 HB VAL A 24 2.323 -11.629 4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.854 -12.791 6.391 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.228 -13.520 5.526 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.519 -12.468 6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.374 -10.382 6.168 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.017 -9.950 6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.400 -9.350 5.143 1.00 0.00 H new ATOM 397 N LEU A 25 4.519 -12.007 2.407 1.00 0.00 N ATOM 398 CA LEU A 25 4.840 -12.949 1.350 1.00 0.00 C ATOM 399 C LEU A 25 6.331 -13.243 1.307 1.00 0.00 C ATOM 400 O LEU A 25 6.757 -14.245 0.733 1.00 0.00 O ATOM 401 CB LEU A 25 4.378 -12.400 -0.001 1.00 0.00 C ATOM 402 CG LEU A 25 2.908 -12.658 -0.336 1.00 0.00 C ATOM 403 CD1 LEU A 25 2.447 -11.737 -1.455 1.00 0.00 C ATOM 404 CD2 LEU A 25 2.697 -14.114 -0.721 1.00 0.00 C ATOM 0 H LEU A 25 4.091 -11.140 2.083 1.00 0.00 H new ATOM 0 HA LEU A 25 4.316 -13.881 1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.556 -11.325 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.996 -12.838 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 25 2.310 -12.447 0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.399 -11.934 -1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.562 -10.699 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.049 -11.916 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.646 -14.280 -0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.306 -14.352 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.988 -14.756 0.110 1.00 0.00 H new ATOM 416 N ASP A 26 7.125 -12.363 1.900 1.00 0.00 N ATOM 417 CA ASP A 26 8.564 -12.541 1.904 1.00 0.00 C ATOM 418 C ASP A 26 9.207 -11.859 3.108 1.00 0.00 C ATOM 419 O ASP A 26 10.331 -11.363 3.026 1.00 0.00 O ATOM 420 CB ASP A 26 9.130 -11.988 0.604 1.00 0.00 C ATOM 421 CG ASP A 26 10.497 -12.555 0.274 1.00 0.00 C ATOM 422 OD1 ASP A 26 10.663 -13.790 0.353 1.00 0.00 O ATOM 423 OD2 ASP A 26 11.403 -11.763 -0.063 1.00 0.00 O ATOM 0 H ASP A 26 6.797 -11.525 2.381 1.00 0.00 H new ATOM 0 HA ASP A 26 8.791 -13.604 1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.442 -12.211 -0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.199 -10.902 0.675 1.00 0.00 H new ATOM 428 N GLU A 27 8.488 -11.839 4.225 1.00 0.00 N ATOM 429 CA GLU A 27 8.989 -11.219 5.446 1.00 0.00 C ATOM 430 C GLU A 27 10.232 -11.943 5.955 1.00 0.00 C ATOM 431 O GLU A 27 11.113 -11.333 6.560 1.00 0.00 O ATOM 432 CB GLU A 27 7.905 -11.221 6.525 1.00 0.00 C ATOM 433 CG GLU A 27 7.505 -12.614 6.977 1.00 0.00 C ATOM 434 CD GLU A 27 6.641 -12.598 8.223 1.00 0.00 C ATOM 435 OE1 GLU A 27 5.965 -11.575 8.464 1.00 0.00 O ATOM 436 OE2 GLU A 27 6.641 -13.607 8.959 1.00 0.00 O ATOM 0 H GLU A 27 7.556 -12.245 4.310 1.00 0.00 H new ATOM 0 HA GLU A 27 9.261 -10.189 5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.260 -10.656 7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.024 -10.704 6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.965 -13.112 6.172 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.403 -13.201 7.170 1.00 0.00 H new ATOM 443 N GLU A 28 10.295 -13.247 5.706 1.00 0.00 N ATOM 444 CA GLU A 28 11.430 -14.054 6.140 1.00 0.00 C ATOM 445 C GLU A 28 12.375 -14.335 4.977 1.00 0.00 C ATOM 446 O GLU A 28 11.956 -14.820 3.926 1.00 0.00 O ATOM 447 CB GLU A 28 10.943 -15.373 6.745 1.00 0.00 C ATOM 448 CG GLU A 28 9.882 -16.070 5.909 1.00 0.00 C ATOM 449 CD GLU A 28 10.087 -17.571 5.842 1.00 0.00 C ATOM 450 OE1 GLU A 28 9.549 -18.283 6.716 1.00 0.00 O ATOM 451 OE2 GLU A 28 10.785 -18.034 4.915 1.00 0.00 O ATOM 0 H GLU A 28 9.574 -13.767 5.206 1.00 0.00 H new ATOM 0 HA GLU A 28 11.974 -13.492 6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.794 -16.043 6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.541 -15.181 7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.898 -15.860 6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.893 -15.660 4.899 1.00 0.00 H new ATOM 458 N ASP A 29 13.653 -14.027 5.172 1.00 0.00 N ATOM 459 CA ASP A 29 14.659 -14.246 4.139 1.00 0.00 C ATOM 460 C ASP A 29 16.061 -13.986 4.682 1.00 0.00 C ATOM 461 O ASP A 29 16.224 -13.449 5.777 1.00 0.00 O ATOM 462 CB ASP A 29 14.390 -13.342 2.935 1.00 0.00 C ATOM 463 CG ASP A 29 13.578 -14.036 1.858 1.00 0.00 C ATOM 464 OD1 ASP A 29 13.490 -15.281 1.889 1.00 0.00 O ATOM 465 OD2 ASP A 29 13.031 -13.333 0.983 1.00 0.00 O ATOM 0 H ASP A 29 14.017 -13.625 6.036 1.00 0.00 H new ATOM 0 HA ASP A 29 14.598 -15.287 3.823 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.860 -12.449 3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.339 -13.011 2.514 1.00 0.00 H new ATOM 470 N ASP A 30 17.070 -14.372 3.908 1.00 0.00 N ATOM 471 CA ASP A 30 18.459 -14.181 4.310 1.00 0.00 C ATOM 472 C ASP A 30 19.088 -13.013 3.556 1.00 0.00 C ATOM 473 O ASP A 30 18.825 -12.815 2.370 1.00 0.00 O ATOM 474 CB ASP A 30 19.264 -15.457 4.062 1.00 0.00 C ATOM 475 CG ASP A 30 19.010 -16.516 5.117 1.00 0.00 C ATOM 476 OD1 ASP A 30 19.688 -16.484 6.165 1.00 0.00 O ATOM 477 OD2 ASP A 30 18.133 -17.377 4.894 1.00 0.00 O ATOM 0 H ASP A 30 16.952 -14.819 2.999 1.00 0.00 H new ATOM 0 HA ASP A 30 18.475 -13.952 5.376 1.00 0.00 H new ATOM 0 HB2 ASP A 30 19.011 -15.858 3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 30 20.327 -15.215 4.043 1.00 0.00 H new ATOM 482 N SER A 31 19.919 -12.244 4.252 1.00 0.00 N ATOM 483 CA SER A 31 20.585 -11.097 3.647 1.00 0.00 C ATOM 484 C SER A 31 19.567 -10.077 3.147 1.00 0.00 C ATOM 485 O SER A 31 18.900 -10.296 2.135 1.00 0.00 O ATOM 486 CB SER A 31 21.479 -11.550 2.492 1.00 0.00 C ATOM 487 OG SER A 31 21.839 -12.914 2.630 1.00 0.00 O ATOM 0 H SER A 31 20.147 -12.394 5.235 1.00 0.00 H new ATOM 0 HA SER A 31 21.202 -10.623 4.411 1.00 0.00 H new ATOM 0 HB2 SER A 31 20.959 -11.402 1.546 1.00 0.00 H new ATOM 0 HB3 SER A 31 22.378 -10.935 2.461 1.00 0.00 H new ATOM 0 HG SER A 31 22.409 -13.180 1.878 1.00 0.00 H new ATOM 493 N ARG A 32 19.451 -8.963 3.863 1.00 0.00 N ATOM 494 CA ARG A 32 18.514 -7.910 3.491 1.00 0.00 C ATOM 495 C ARG A 32 19.208 -6.831 2.665 1.00 0.00 C ATOM 496 O ARG A 32 20.404 -6.921 2.388 1.00 0.00 O ATOM 497 CB ARG A 32 17.891 -7.288 4.742 1.00 0.00 C ATOM 498 CG ARG A 32 16.626 -7.993 5.206 1.00 0.00 C ATOM 499 CD ARG A 32 16.510 -7.988 6.722 1.00 0.00 C ATOM 500 NE ARG A 32 15.131 -8.178 7.166 1.00 0.00 N ATOM 501 CZ ARG A 32 14.473 -9.331 7.066 1.00 0.00 C ATOM 502 NH1 ARG A 32 15.062 -10.397 6.539 1.00 0.00 N ATOM 503 NH2 ARG A 32 13.221 -9.418 7.494 1.00 0.00 N ATOM 0 H ARG A 32 19.994 -8.767 4.704 1.00 0.00 H new ATOM 0 HA ARG A 32 17.726 -8.357 2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 32 18.623 -7.305 5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 32 17.661 -6.242 4.542 1.00 0.00 H new ATOM 0 HG2 ARG A 32 15.755 -7.503 4.772 1.00 0.00 H new ATOM 0 HG3 ARG A 32 16.627 -9.021 4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 32 17.136 -8.778 7.136 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.889 -7.043 7.112 1.00 0.00 H new ATOM 0 HE ARG A 32 14.644 -7.381 7.576 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.025 -10.336 6.208 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.552 -11.277 6.465 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.763 -8.602 7.899 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.716 -10.301 7.418 1.00 0.00 H new ATOM 517 N LYS A 33 18.449 -5.812 2.275 1.00 0.00 N ATOM 518 CA LYS A 33 18.991 -4.716 1.481 1.00 0.00 C ATOM 519 C LYS A 33 19.536 -5.225 0.151 1.00 0.00 C ATOM 520 O LYS A 33 20.291 -4.477 -0.504 1.00 0.00 O ATOM 521 CB LYS A 33 20.096 -3.995 2.255 1.00 0.00 C ATOM 522 CG LYS A 33 19.587 -2.855 3.122 1.00 0.00 C ATOM 523 CD LYS A 33 19.378 -3.300 4.560 1.00 0.00 C ATOM 524 CE LYS A 33 18.820 -2.175 5.416 1.00 0.00 C ATOM 525 NZ LYS A 33 19.544 -0.893 5.188 1.00 0.00 N ATOM 526 OXT LYS A 33 19.204 -6.369 -0.225 1.00 0.00 O ATOM 0 H LYS A 33 17.457 -5.723 2.496 1.00 0.00 H new ATOM 0 HA LYS A 33 18.182 -4.014 1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.616 -4.716 2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.828 -3.604 1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 33 20.299 -2.030 3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.648 -2.479 2.716 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.695 -4.149 4.583 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.325 -3.641 4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.762 -2.039 5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.891 -2.450 6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.484 -0.303 6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 20.542 -1.091 4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.112 -0.388 4.388 1.00 0.00 H new TER 540 LYS A 33