USER MOD reduce.3.24.130724 H: found=0, std=0, add=344, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 340 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 GLY N :NH3+ -135:sc= 0.018 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 80:sc= 0.24 USER MOD Single : A 10 CYS SG : rot -27:sc= 0.949 USER MOD Single : A 13 HIS :FLIP no HD1:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 19 THR OG1 : rot 104:sc= 0.423 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.0224 X(o=-0.022,f=-0.24) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.778 -4.665 -26.952 1.00 0.00 N ATOM 2 CA GLY A 1 6.032 -5.954 -27.070 1.00 0.00 C ATOM 3 C GLY A 1 6.212 -6.782 -25.791 1.00 0.00 C ATOM 4 O GLY A 1 6.225 -6.243 -24.699 1.00 0.00 O ATOM 0 H1 GLY A 1 6.177 -3.884 -27.286 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.036 -4.503 -25.958 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.641 -4.709 -27.530 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.973 -5.757 -27.240 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.394 -6.516 -27.931 1.00 0.00 H new ATOM 7 N ARG A 2 6.354 -8.079 -25.920 1.00 0.00 N ATOM 8 CA ARG A 2 6.537 -8.961 -24.726 1.00 0.00 C ATOM 9 C ARG A 2 7.971 -9.516 -24.705 1.00 0.00 C ATOM 10 O ARG A 2 8.817 -9.071 -25.460 1.00 0.00 O ATOM 11 CB ARG A 2 5.510 -10.088 -24.906 1.00 0.00 C ATOM 12 CG ARG A 2 4.499 -10.063 -23.756 1.00 0.00 C ATOM 13 CD ARG A 2 3.221 -9.340 -24.198 1.00 0.00 C ATOM 14 NE ARG A 2 3.517 -7.879 -24.089 1.00 0.00 N ATOM 15 CZ ARG A 2 3.529 -7.286 -22.919 1.00 0.00 C ATOM 16 NH1 ARG A 2 2.489 -7.372 -22.131 1.00 0.00 N ATOM 17 NH2 ARG A 2 4.581 -6.605 -22.541 1.00 0.00 N ATOM 0 H ARG A 2 6.351 -8.570 -26.814 1.00 0.00 H new ATOM 0 HA ARG A 2 6.389 -8.433 -23.784 1.00 0.00 H new ATOM 0 HB2 ARG A 2 4.993 -9.971 -25.858 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.017 -11.052 -24.935 1.00 0.00 H new ATOM 0 HG2 ARG A 2 4.262 -11.081 -23.446 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.931 -9.559 -22.891 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.954 -9.609 -25.220 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.378 -9.616 -23.565 1.00 0.00 H new ATOM 0 HE ARG A 2 3.711 -7.338 -24.932 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.668 -7.900 -22.426 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.499 -6.911 -21.221 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.392 -6.535 -23.156 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.590 -6.144 -21.631 1.00 0.00 H new ATOM 31 N ASP A 3 8.235 -10.479 -23.846 1.00 0.00 N ATOM 32 CA ASP A 3 9.602 -11.102 -23.732 1.00 0.00 C ATOM 33 C ASP A 3 10.681 -10.034 -23.465 1.00 0.00 C ATOM 34 O ASP A 3 11.795 -10.118 -23.955 1.00 0.00 O ATOM 35 CB ASP A 3 9.841 -11.822 -25.067 1.00 0.00 C ATOM 36 CG ASP A 3 10.264 -13.269 -24.803 1.00 0.00 C ATOM 37 OD1 ASP A 3 9.388 -14.113 -24.701 1.00 0.00 O ATOM 38 OD2 ASP A 3 11.456 -13.510 -24.705 1.00 0.00 O ATOM 0 H ASP A 3 7.545 -10.869 -23.204 1.00 0.00 H new ATOM 0 HA ASP A 3 9.658 -11.795 -22.893 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.933 -11.802 -25.670 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.613 -11.305 -25.637 1.00 0.00 H new ATOM 43 N ALA A 4 10.340 -9.033 -22.685 1.00 0.00 N ATOM 44 CA ALA A 4 11.291 -7.925 -22.345 1.00 0.00 C ATOM 45 C ALA A 4 10.653 -7.024 -21.279 1.00 0.00 C ATOM 46 O ALA A 4 11.262 -6.731 -20.267 1.00 0.00 O ATOM 47 CB ALA A 4 11.507 -7.145 -23.647 1.00 0.00 C ATOM 0 H ALA A 4 9.418 -8.937 -22.260 1.00 0.00 H new ATOM 0 HA ALA A 4 12.236 -8.296 -21.948 1.00 0.00 H new ATOM 0 HB1 ALA A 4 12.195 -6.319 -23.466 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.927 -7.808 -24.403 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.553 -6.753 -23.999 1.00 0.00 H new ATOM 53 N VAL A 5 9.427 -6.596 -21.508 1.00 0.00 N ATOM 54 CA VAL A 5 8.705 -5.716 -20.527 1.00 0.00 C ATOM 55 C VAL A 5 8.545 -6.449 -19.184 1.00 0.00 C ATOM 56 O VAL A 5 8.740 -5.864 -18.136 1.00 0.00 O ATOM 57 CB VAL A 5 7.341 -5.423 -21.175 1.00 0.00 C ATOM 58 CG1 VAL A 5 6.424 -4.691 -20.187 1.00 0.00 C ATOM 59 CG2 VAL A 5 7.537 -4.541 -22.414 1.00 0.00 C ATOM 0 H VAL A 5 8.891 -6.824 -22.345 1.00 0.00 H new ATOM 0 HA VAL A 5 9.245 -4.793 -20.314 1.00 0.00 H new ATOM 0 HB VAL A 5 6.883 -6.371 -21.458 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.463 -4.491 -20.662 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.271 -5.312 -19.304 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.886 -3.749 -19.892 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.569 -4.335 -22.871 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.007 -3.602 -22.122 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.174 -5.058 -23.131 1.00 0.00 H new ATOM 69 N ILE A 6 8.202 -7.721 -19.218 1.00 0.00 N ATOM 70 CA ILE A 6 8.037 -8.513 -17.949 1.00 0.00 C ATOM 71 C ILE A 6 9.361 -8.481 -17.168 1.00 0.00 C ATOM 72 O ILE A 6 9.372 -8.323 -15.961 1.00 0.00 O ATOM 73 CB ILE A 6 7.674 -9.945 -18.392 1.00 0.00 C ATOM 74 CG1 ILE A 6 6.311 -9.958 -19.111 1.00 0.00 C ATOM 75 CG2 ILE A 6 7.607 -10.885 -17.180 1.00 0.00 C ATOM 76 CD1 ILE A 6 5.213 -9.363 -18.219 1.00 0.00 C ATOM 0 H ILE A 6 8.029 -8.247 -20.075 1.00 0.00 H new ATOM 0 HA ILE A 6 7.263 -8.112 -17.294 1.00 0.00 H new ATOM 0 HB ILE A 6 8.450 -10.290 -19.075 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.379 -9.389 -20.038 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.049 -10.980 -19.383 1.00 0.00 H new ATOM 0 HG21 ILE A 6 7.350 -11.890 -17.513 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.576 -10.905 -16.681 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.848 -10.528 -16.484 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.261 -9.384 -18.750 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.131 -9.949 -17.304 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.466 -8.333 -17.969 1.00 0.00 H new ATOM 88 N LEU A 7 10.472 -8.614 -17.863 1.00 0.00 N ATOM 89 CA LEU A 7 11.815 -8.579 -17.200 1.00 0.00 C ATOM 90 C LEU A 7 12.066 -7.166 -16.640 1.00 0.00 C ATOM 91 O LEU A 7 12.592 -7.010 -15.555 1.00 0.00 O ATOM 92 CB LEU A 7 12.817 -8.929 -18.318 1.00 0.00 C ATOM 93 CG LEU A 7 14.172 -9.399 -17.759 1.00 0.00 C ATOM 94 CD1 LEU A 7 14.920 -8.236 -17.102 1.00 0.00 C ATOM 95 CD2 LEU A 7 13.972 -10.522 -16.733 1.00 0.00 C ATOM 0 H LEU A 7 10.502 -8.747 -18.874 1.00 0.00 H new ATOM 0 HA LEU A 7 11.902 -9.272 -16.364 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.395 -9.711 -18.949 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.971 -8.056 -18.952 1.00 0.00 H new ATOM 0 HG LEU A 7 14.764 -9.777 -18.592 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.875 -8.590 -16.714 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.096 -7.454 -17.840 1.00 0.00 H new ATOM 0 HD13 LEU A 7 14.322 -7.835 -16.284 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.941 -10.841 -16.349 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.358 -10.157 -15.910 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.475 -11.367 -17.210 1.00 0.00 H new ATOM 107 N LEU A 8 11.682 -6.144 -17.377 1.00 0.00 N ATOM 108 CA LEU A 8 11.879 -4.733 -16.911 1.00 0.00 C ATOM 109 C LEU A 8 10.897 -4.370 -15.788 1.00 0.00 C ATOM 110 O LEU A 8 11.188 -3.533 -14.956 1.00 0.00 O ATOM 111 CB LEU A 8 11.654 -3.847 -18.144 1.00 0.00 C ATOM 112 CG LEU A 8 12.789 -2.826 -18.266 1.00 0.00 C ATOM 113 CD1 LEU A 8 13.996 -3.471 -18.956 1.00 0.00 C ATOM 114 CD2 LEU A 8 12.312 -1.630 -19.095 1.00 0.00 C ATOM 0 H LEU A 8 11.236 -6.232 -18.290 1.00 0.00 H new ATOM 0 HA LEU A 8 12.877 -4.594 -16.495 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.609 -4.463 -19.042 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.697 -3.332 -18.063 1.00 0.00 H new ATOM 0 HG LEU A 8 13.079 -2.491 -17.270 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.800 -2.740 -19.040 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.339 -4.322 -18.368 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.708 -3.810 -19.951 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.119 -0.903 -19.182 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.020 -1.969 -20.089 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.457 -1.165 -18.605 1.00 0.00 H new ATOM 126 N THR A 9 9.751 -4.996 -15.764 1.00 0.00 N ATOM 127 CA THR A 9 8.731 -4.711 -14.700 1.00 0.00 C ATOM 128 C THR A 9 9.265 -5.174 -13.334 1.00 0.00 C ATOM 129 O THR A 9 9.134 -4.472 -12.349 1.00 0.00 O ATOM 130 CB THR A 9 7.464 -5.484 -15.122 1.00 0.00 C ATOM 131 OG1 THR A 9 6.783 -4.749 -16.132 1.00 0.00 O ATOM 132 CG2 THR A 9 6.515 -5.679 -13.933 1.00 0.00 C ATOM 0 H THR A 9 9.470 -5.703 -16.443 1.00 0.00 H new ATOM 0 HA THR A 9 8.511 -3.648 -14.599 1.00 0.00 H new ATOM 0 HB THR A 9 7.768 -6.462 -15.494 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.214 -4.906 -16.998 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.631 -6.227 -14.259 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.023 -6.243 -13.151 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.216 -4.706 -13.543 1.00 0.00 H new ATOM 140 N CYS A 10 9.870 -6.339 -13.269 1.00 0.00 N ATOM 141 CA CYS A 10 10.417 -6.832 -11.963 1.00 0.00 C ATOM 142 C CYS A 10 11.823 -6.260 -11.695 1.00 0.00 C ATOM 143 O CYS A 10 12.279 -6.270 -10.568 1.00 0.00 O ATOM 144 CB CYS A 10 10.447 -8.364 -12.068 1.00 0.00 C ATOM 145 SG CYS A 10 11.731 -8.902 -13.229 1.00 0.00 S ATOM 0 H CYS A 10 10.008 -6.967 -14.061 1.00 0.00 H new ATOM 0 HA CYS A 10 9.798 -6.507 -11.127 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.634 -8.797 -11.085 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.475 -8.730 -12.398 1.00 0.00 H new ATOM 0 HG CYS A 10 11.934 -7.971 -14.113 1.00 0.00 H new ATOM 151 N ALA A 11 12.509 -5.768 -12.704 1.00 0.00 N ATOM 152 CA ALA A 11 13.880 -5.204 -12.491 1.00 0.00 C ATOM 153 C ALA A 11 13.839 -3.680 -12.284 1.00 0.00 C ATOM 154 O ALA A 11 14.644 -3.144 -11.545 1.00 0.00 O ATOM 155 CB ALA A 11 14.664 -5.555 -13.760 1.00 0.00 C ATOM 0 H ALA A 11 12.175 -5.734 -13.667 1.00 0.00 H new ATOM 0 HA ALA A 11 14.342 -5.617 -11.594 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.681 -5.173 -13.677 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.692 -6.638 -13.882 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.177 -5.105 -14.625 1.00 0.00 H new ATOM 161 N ILE A 12 12.926 -2.980 -12.923 1.00 0.00 N ATOM 162 CA ILE A 12 12.858 -1.491 -12.752 1.00 0.00 C ATOM 163 C ILE A 12 11.630 -1.101 -11.916 1.00 0.00 C ATOM 164 O ILE A 12 10.512 -1.125 -12.393 1.00 0.00 O ATOM 165 CB ILE A 12 12.769 -0.899 -14.172 1.00 0.00 C ATOM 166 CG1 ILE A 12 13.854 -1.495 -15.089 1.00 0.00 C ATOM 167 CG2 ILE A 12 12.942 0.624 -14.114 1.00 0.00 C ATOM 168 CD1 ILE A 12 15.251 -1.283 -14.493 1.00 0.00 C ATOM 0 H ILE A 12 12.228 -3.375 -13.553 1.00 0.00 H new ATOM 0 HA ILE A 12 13.732 -1.110 -12.224 1.00 0.00 H new ATOM 0 HB ILE A 12 11.789 -1.148 -14.580 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.672 -2.560 -15.229 1.00 0.00 H new ATOM 0 HG13 ILE A 12 13.800 -1.030 -16.073 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.878 1.036 -15.121 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.156 1.056 -13.495 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.915 0.864 -13.685 1.00 0.00 H new ATOM 0 HD11 ILE A 12 16.000 -1.712 -15.159 1.00 0.00 H new ATOM 0 HD12 ILE A 12 15.439 -0.216 -14.376 1.00 0.00 H new ATOM 0 HD13 ILE A 12 15.309 -1.770 -13.520 1.00 0.00 H new ATOM 180 N HIS A 13 11.858 -0.738 -10.671 1.00 0.00 N ATOM 181 CA HIS A 13 10.760 -0.324 -9.726 1.00 0.00 C ATOM 182 C HIS A 13 9.636 -1.380 -9.625 1.00 0.00 C ATOM 183 O HIS A 13 8.491 -1.100 -9.942 1.00 0.00 O ATOM 184 CB HIS A 13 10.234 1.018 -10.260 1.00 0.00 C ATOM 185 CG HIS A 13 11.106 2.141 -9.762 1.00 0.00 C ATOM 186 ND1 HIS A 13 11.163 2.791 -8.554 1.00 0.00 N flip ATOM 187 CD2 HIS A 13 12.081 2.730 -10.553 1.00 0.00 C flip ATOM 188 CE1 HIS A 13 12.155 3.768 -8.592 1.00 0.00 C flip ATOM 189 NE2 HIS A 13 12.675 3.687 -9.820 1.00 0.00 N flip ATOM 0 H HIS A 13 12.790 -0.711 -10.257 1.00 0.00 H new ATOM 0 HA HIS A 13 11.141 -0.229 -8.709 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.225 1.008 -11.350 1.00 0.00 H new ATOM 0 HB3 HIS A 13 9.205 1.172 -9.934 1.00 0.00 H new ATOM 0 HD2 HIS A 13 12.320 2.467 -11.573 1.00 0.00 H new ATOM 0 HE1 HIS A 13 12.442 4.444 -7.800 1.00 0.00 H new ATOM 0 HE2 HIS A 13 13.432 4.280 -10.160 1.00 0.00 H new ATOM 197 N PRO A 14 9.995 -2.565 -9.171 1.00 0.00 N ATOM 198 CA PRO A 14 8.998 -3.668 -9.019 1.00 0.00 C ATOM 199 C PRO A 14 8.019 -3.384 -7.864 1.00 0.00 C ATOM 200 O PRO A 14 6.850 -3.716 -7.951 1.00 0.00 O ATOM 201 CB PRO A 14 9.861 -4.897 -8.735 1.00 0.00 C ATOM 202 CG PRO A 14 11.124 -4.358 -8.151 1.00 0.00 C ATOM 203 CD PRO A 14 11.341 -2.998 -8.756 1.00 0.00 C ATOM 0 HA PRO A 14 8.368 -3.793 -9.900 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.364 -5.576 -8.042 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.057 -5.460 -9.647 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.049 -4.290 -7.066 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.964 -5.017 -8.372 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.776 -2.307 -8.035 1.00 0.00 H new ATOM 0 HD3 PRO A 14 12.023 -3.044 -9.605 1.00 0.00 H new ATOM 211 N GLU A 15 8.486 -2.775 -6.793 1.00 0.00 N ATOM 212 CA GLU A 15 7.585 -2.463 -5.631 1.00 0.00 C ATOM 213 C GLU A 15 6.553 -1.374 -5.976 1.00 0.00 C ATOM 214 O GLU A 15 5.625 -1.140 -5.224 1.00 0.00 O ATOM 215 CB GLU A 15 8.509 -2.009 -4.495 1.00 0.00 C ATOM 216 CG GLU A 15 7.865 -2.327 -3.139 1.00 0.00 C ATOM 217 CD GLU A 15 8.927 -2.857 -2.171 1.00 0.00 C ATOM 218 OE1 GLU A 15 9.617 -2.045 -1.574 1.00 0.00 O ATOM 219 OE2 GLU A 15 9.034 -4.066 -2.039 1.00 0.00 O ATOM 0 H GLU A 15 9.455 -2.480 -6.674 1.00 0.00 H new ATOM 0 HA GLU A 15 7.000 -3.339 -5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.473 -2.511 -4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.699 -0.939 -4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.400 -1.431 -2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.074 -3.067 -3.266 1.00 0.00 H new ATOM 226 N LEU A 16 6.703 -0.717 -7.099 1.00 0.00 N ATOM 227 CA LEU A 16 5.734 0.350 -7.500 1.00 0.00 C ATOM 228 C LEU A 16 4.760 -0.203 -8.548 1.00 0.00 C ATOM 229 O LEU A 16 3.571 0.035 -8.465 1.00 0.00 O ATOM 230 CB LEU A 16 6.579 1.489 -8.080 1.00 0.00 C ATOM 231 CG LEU A 16 6.692 2.618 -7.052 1.00 0.00 C ATOM 232 CD1 LEU A 16 8.005 2.483 -6.278 1.00 0.00 C ATOM 233 CD2 LEU A 16 6.663 3.968 -7.772 1.00 0.00 C ATOM 0 H LEU A 16 7.462 -0.876 -7.761 1.00 0.00 H new ATOM 0 HA LEU A 16 5.136 0.700 -6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.571 1.122 -8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.124 1.863 -8.997 1.00 0.00 H new ATOM 0 HG LEU A 16 5.855 2.556 -6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.081 3.288 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.027 1.523 -5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.844 2.542 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.743 4.772 -7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.499 4.027 -8.469 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.726 4.068 -8.320 1.00 0.00 H new ATOM 245 N ILE A 17 5.257 -0.938 -9.523 1.00 0.00 N ATOM 246 CA ILE A 17 4.365 -1.519 -10.584 1.00 0.00 C ATOM 247 C ILE A 17 3.349 -2.483 -9.947 1.00 0.00 C ATOM 248 O ILE A 17 2.188 -2.474 -10.310 1.00 0.00 O ATOM 249 CB ILE A 17 5.291 -2.248 -11.573 1.00 0.00 C ATOM 250 CG1 ILE A 17 6.141 -1.218 -12.331 1.00 0.00 C ATOM 251 CG2 ILE A 17 4.460 -3.048 -12.583 1.00 0.00 C ATOM 252 CD1 ILE A 17 7.367 -1.904 -12.942 1.00 0.00 C ATOM 0 H ILE A 17 6.247 -1.160 -9.628 1.00 0.00 H new ATOM 0 HA ILE A 17 3.789 -0.750 -11.098 1.00 0.00 H new ATOM 0 HB ILE A 17 5.936 -2.928 -11.016 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.547 -0.749 -13.115 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.457 -0.425 -11.654 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.126 -3.560 -13.278 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.853 -3.783 -12.054 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.809 -2.371 -13.136 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.966 -1.168 -13.478 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.966 -2.351 -12.149 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.042 -2.681 -13.634 1.00 0.00 H new ATOM 264 N PHE A 18 3.774 -3.299 -9.003 1.00 0.00 N ATOM 265 CA PHE A 18 2.829 -4.257 -8.335 1.00 0.00 C ATOM 266 C PHE A 18 1.681 -3.467 -7.681 1.00 0.00 C ATOM 267 O PHE A 18 0.524 -3.844 -7.776 1.00 0.00 O ATOM 268 CB PHE A 18 3.660 -4.988 -7.273 1.00 0.00 C ATOM 269 CG PHE A 18 3.038 -6.332 -6.975 1.00 0.00 C ATOM 270 CD1 PHE A 18 1.952 -6.422 -6.095 1.00 0.00 C ATOM 271 CD2 PHE A 18 3.548 -7.489 -7.578 1.00 0.00 C ATOM 272 CE1 PHE A 18 1.376 -7.667 -5.819 1.00 0.00 C ATOM 273 CE2 PHE A 18 2.971 -8.734 -7.300 1.00 0.00 C ATOM 274 CZ PHE A 18 1.885 -8.823 -6.420 1.00 0.00 C ATOM 0 H PHE A 18 4.736 -3.341 -8.667 1.00 0.00 H new ATOM 0 HA PHE A 18 2.385 -4.962 -9.038 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.683 -5.120 -7.625 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.711 -4.390 -6.363 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.559 -5.530 -5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.385 -7.421 -8.257 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.538 -7.735 -5.141 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.364 -9.626 -7.764 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.441 -9.784 -6.206 1.00 0.00 H new ATOM 284 N THR A 19 2.011 -2.367 -7.034 1.00 0.00 N ATOM 285 CA THR A 19 0.969 -1.515 -6.373 1.00 0.00 C ATOM 286 C THR A 19 0.005 -0.976 -7.444 1.00 0.00 C ATOM 287 O THR A 19 -1.190 -0.916 -7.225 1.00 0.00 O ATOM 288 CB THR A 19 1.742 -0.371 -5.699 1.00 0.00 C ATOM 289 OG1 THR A 19 2.714 -0.919 -4.817 1.00 0.00 O ATOM 290 CG2 THR A 19 0.788 0.520 -4.901 1.00 0.00 C ATOM 0 H THR A 19 2.966 -2.023 -6.937 1.00 0.00 H new ATOM 0 HA THR A 19 0.373 -2.065 -5.645 1.00 0.00 H new ATOM 0 HB THR A 19 2.227 0.229 -6.469 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.601 -0.855 -5.228 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.351 1.326 -4.430 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.040 0.944 -5.571 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.292 -0.074 -4.133 1.00 0.00 H new ATOM 298 N ILE A 20 0.524 -0.598 -8.598 1.00 0.00 N ATOM 299 CA ILE A 20 -0.345 -0.071 -9.701 1.00 0.00 C ATOM 300 C ILE A 20 -1.308 -1.176 -10.160 1.00 0.00 C ATOM 301 O ILE A 20 -2.475 -0.916 -10.361 1.00 0.00 O ATOM 302 CB ILE A 20 0.607 0.354 -10.833 1.00 0.00 C ATOM 303 CG1 ILE A 20 1.402 1.593 -10.397 1.00 0.00 C ATOM 304 CG2 ILE A 20 -0.189 0.693 -12.101 1.00 0.00 C ATOM 305 CD1 ILE A 20 2.633 1.765 -11.292 1.00 0.00 C ATOM 0 H ILE A 20 1.519 -0.634 -8.820 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.953 0.776 -9.382 1.00 0.00 H new ATOM 0 HB ILE A 20 1.287 -0.471 -11.045 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.771 2.480 -10.457 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.710 1.491 -9.356 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.498 0.992 -12.893 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.753 -0.183 -12.421 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.878 1.511 -11.890 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.192 2.646 -10.977 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.269 0.883 -11.210 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.316 1.888 -12.327 1.00 0.00 H new ATOM 317 N THR A 21 -0.830 -2.396 -10.315 1.00 0.00 N ATOM 318 CA THR A 21 -1.723 -3.526 -10.751 1.00 0.00 C ATOM 319 C THR A 21 -2.870 -3.693 -9.738 1.00 0.00 C ATOM 320 O THR A 21 -4.011 -3.887 -10.118 1.00 0.00 O ATOM 321 CB THR A 21 -0.841 -4.787 -10.785 1.00 0.00 C ATOM 322 OG1 THR A 21 0.377 -4.523 -11.476 1.00 0.00 O ATOM 323 CG2 THR A 21 -1.579 -5.927 -11.491 1.00 0.00 C ATOM 0 H THR A 21 0.143 -2.657 -10.157 1.00 0.00 H new ATOM 0 HA THR A 21 -2.168 -3.339 -11.728 1.00 0.00 H new ATOM 0 HB THR A 21 -0.618 -5.076 -9.758 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.928 -5.333 -11.488 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.946 -6.814 -11.509 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.501 -6.151 -10.955 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.816 -5.629 -12.512 1.00 0.00 H new ATOM 331 N LYS A 22 -2.567 -3.604 -8.459 1.00 0.00 N ATOM 332 CA LYS A 22 -3.629 -3.739 -7.410 1.00 0.00 C ATOM 333 C LYS A 22 -4.654 -2.610 -7.593 1.00 0.00 C ATOM 334 O LYS A 22 -5.848 -2.850 -7.602 1.00 0.00 O ATOM 335 CB LYS A 22 -2.902 -3.614 -6.065 1.00 0.00 C ATOM 336 CG LYS A 22 -3.823 -4.083 -4.935 1.00 0.00 C ATOM 337 CD LYS A 22 -3.328 -3.519 -3.601 1.00 0.00 C ATOM 338 CE LYS A 22 -4.506 -2.910 -2.830 1.00 0.00 C ATOM 339 NZ LYS A 22 -4.038 -2.782 -1.420 1.00 0.00 N ATOM 0 H LYS A 22 -1.626 -3.443 -8.099 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.167 -4.685 -7.470 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.991 -4.212 -6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.602 -2.579 -5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.844 -3.753 -5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.842 -5.172 -4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.864 -4.309 -3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.564 -2.761 -3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.784 -1.939 -3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.388 -3.547 -2.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.796 -2.372 -0.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.788 -3.722 -1.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.203 -2.163 -1.386 1.00 0.00 H new ATOM 353 N ILE A 23 -4.187 -1.388 -7.757 1.00 0.00 N ATOM 354 CA ILE A 23 -5.117 -0.228 -7.960 1.00 0.00 C ATOM 355 C ILE A 23 -5.812 -0.376 -9.328 1.00 0.00 C ATOM 356 O ILE A 23 -6.958 0.000 -9.476 1.00 0.00 O ATOM 357 CB ILE A 23 -4.245 1.041 -7.908 1.00 0.00 C ATOM 358 CG1 ILE A 23 -3.654 1.210 -6.498 1.00 0.00 C ATOM 359 CG2 ILE A 23 -5.095 2.274 -8.242 1.00 0.00 C ATOM 360 CD1 ILE A 23 -2.616 2.338 -6.495 1.00 0.00 C ATOM 0 H ILE A 23 -3.196 -1.146 -7.758 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.896 -0.180 -7.199 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.440 0.943 -8.636 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.449 1.434 -5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.191 0.278 -6.175 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.471 3.167 -8.203 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.514 2.167 -9.243 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.905 2.365 -7.518 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.203 2.450 -5.492 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.814 2.096 -7.193 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.092 3.271 -6.798 1.00 0.00 H new ATOM 372 N LEU A 24 -5.128 -0.927 -10.312 1.00 0.00 N ATOM 373 CA LEU A 24 -5.727 -1.123 -11.675 1.00 0.00 C ATOM 374 C LEU A 24 -7.019 -1.941 -11.557 1.00 0.00 C ATOM 375 O LEU A 24 -8.016 -1.624 -12.176 1.00 0.00 O ATOM 376 CB LEU A 24 -4.675 -1.900 -12.482 1.00 0.00 C ATOM 377 CG LEU A 24 -4.680 -1.442 -13.942 1.00 0.00 C ATOM 378 CD1 LEU A 24 -3.916 -0.120 -14.074 1.00 0.00 C ATOM 379 CD2 LEU A 24 -3.998 -2.507 -14.805 1.00 0.00 C ATOM 0 H LEU A 24 -4.166 -1.253 -10.224 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.978 -0.177 -12.154 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.687 -1.745 -12.049 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.882 -2.969 -12.428 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.709 -1.298 -14.273 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.923 0.202 -15.115 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.395 0.640 -13.456 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.887 -0.260 -13.744 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.999 -2.186 -15.847 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.971 -2.645 -14.468 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.539 -3.449 -14.715 1.00 0.00 H new ATOM 391 N LEU A 25 -7.005 -2.983 -10.755 1.00 0.00 N ATOM 392 CA LEU A 25 -8.233 -3.824 -10.573 1.00 0.00 C ATOM 393 C LEU A 25 -9.299 -3.040 -9.801 1.00 0.00 C ATOM 394 O LEU A 25 -10.484 -3.231 -9.994 1.00 0.00 O ATOM 395 CB LEU A 25 -7.788 -5.063 -9.783 1.00 0.00 C ATOM 396 CG LEU A 25 -7.540 -6.237 -10.736 1.00 0.00 C ATOM 397 CD1 LEU A 25 -6.200 -6.053 -11.456 1.00 0.00 C ATOM 398 CD2 LEU A 25 -7.506 -7.541 -9.933 1.00 0.00 C ATOM 0 H LEU A 25 -6.193 -3.287 -10.218 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.673 -4.107 -11.529 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.879 -4.840 -9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.552 -5.332 -9.054 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.342 -6.275 -11.474 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.032 -6.892 -12.131 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.218 -5.125 -12.028 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.395 -6.011 -10.722 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.330 -8.379 -10.607 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.704 -7.494 -9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.460 -7.680 -9.424 1.00 0.00 H new ATOM 410 N ALA A 26 -8.867 -2.160 -8.938 1.00 0.00 N ATOM 411 CA ALA A 26 -9.814 -1.328 -8.127 1.00 0.00 C ATOM 412 C ALA A 26 -10.272 -0.064 -8.879 1.00 0.00 C ATOM 413 O ALA A 26 -11.143 0.648 -8.410 1.00 0.00 O ATOM 414 CB ALA A 26 -9.036 -0.955 -6.863 1.00 0.00 C ATOM 0 H ALA A 26 -7.880 -1.977 -8.755 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.728 -1.880 -7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.665 -0.343 -6.216 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.745 -1.862 -6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.143 -0.393 -7.138 1.00 0.00 H new ATOM 420 N ILE A 27 -9.702 0.218 -10.026 1.00 0.00 N ATOM 421 CA ILE A 27 -10.103 1.437 -10.807 1.00 0.00 C ATOM 422 C ILE A 27 -11.450 1.229 -11.531 1.00 0.00 C ATOM 423 O ILE A 27 -12.087 2.190 -11.923 1.00 0.00 O ATOM 424 CB ILE A 27 -8.944 1.703 -11.789 1.00 0.00 C ATOM 425 CG1 ILE A 27 -8.895 3.200 -12.118 1.00 0.00 C ATOM 426 CG2 ILE A 27 -9.113 0.904 -13.089 1.00 0.00 C ATOM 427 CD1 ILE A 27 -7.546 3.548 -12.752 1.00 0.00 C ATOM 0 H ILE A 27 -8.971 -0.346 -10.460 1.00 0.00 H new ATOM 0 HA ILE A 27 -10.265 2.296 -10.156 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.016 1.386 -11.314 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.705 3.458 -12.800 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.043 3.786 -11.211 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.278 1.116 -13.757 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.134 -0.162 -12.861 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.047 1.190 -13.573 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.517 4.613 -12.984 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.743 3.306 -12.055 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.416 2.973 -13.669 1.00 0.00 H new ATOM 439 N LEU A 28 -11.883 -0.003 -11.711 1.00 0.00 N ATOM 440 CA LEU A 28 -13.185 -0.267 -12.408 1.00 0.00 C ATOM 441 C LEU A 28 -14.354 0.268 -11.564 1.00 0.00 C ATOM 442 O LEU A 28 -15.126 1.089 -12.026 1.00 0.00 O ATOM 443 CB LEU A 28 -13.268 -1.793 -12.567 1.00 0.00 C ATOM 444 CG LEU A 28 -13.242 -2.165 -14.052 1.00 0.00 C ATOM 445 CD1 LEU A 28 -11.813 -2.054 -14.594 1.00 0.00 C ATOM 446 CD2 LEU A 28 -13.740 -3.603 -14.223 1.00 0.00 C ATOM 0 H LEU A 28 -11.386 -0.839 -11.403 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.242 0.232 -13.375 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.434 -2.267 -12.050 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.182 -2.166 -12.106 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.888 -1.483 -14.604 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.803 -2.320 -15.651 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.457 -1.031 -14.474 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.161 -2.732 -14.043 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.723 -3.871 -15.279 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.093 -4.281 -13.666 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.759 -3.682 -13.845 1.00 0.00 H new ATOM 458 N GLY A 29 -14.481 -0.188 -10.337 1.00 0.00 N ATOM 459 CA GLY A 29 -15.587 0.288 -9.455 1.00 0.00 C ATOM 460 C GLY A 29 -16.909 -0.389 -9.838 1.00 0.00 C ATOM 461 O GLY A 29 -17.693 0.190 -10.565 1.00 0.00 O ATOM 0 H GLY A 29 -13.859 -0.874 -9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.349 0.071 -8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.688 1.370 -9.540 1.00 0.00 H new ATOM 465 N PRO A 30 -17.124 -1.587 -9.332 1.00 0.00 N ATOM 466 CA PRO A 30 -18.384 -2.336 -9.629 1.00 0.00 C ATOM 467 C PRO A 30 -19.602 -1.569 -9.092 1.00 0.00 C ATOM 468 O PRO A 30 -20.642 -1.544 -9.724 1.00 0.00 O ATOM 469 CB PRO A 30 -18.175 -3.678 -8.922 1.00 0.00 C ATOM 470 CG PRO A 30 -17.184 -3.377 -7.847 1.00 0.00 C ATOM 471 CD PRO A 30 -16.246 -2.364 -8.443 1.00 0.00 C ATOM 0 HA PRO A 30 -18.580 -2.466 -10.693 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -19.108 -4.059 -8.508 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -17.799 -4.436 -9.609 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -17.676 -2.982 -6.958 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.649 -4.277 -7.542 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -15.789 -1.737 -7.677 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.434 -2.840 -8.992 1.00 0.00 H new ATOM 479 N LEU A 31 -19.470 -0.934 -7.946 1.00 0.00 N ATOM 480 CA LEU A 31 -20.608 -0.148 -7.372 1.00 0.00 C ATOM 481 C LEU A 31 -20.742 1.156 -8.168 1.00 0.00 C ATOM 482 O LEU A 31 -21.839 1.568 -8.495 1.00 0.00 O ATOM 483 CB LEU A 31 -20.242 0.139 -5.910 1.00 0.00 C ATOM 484 CG LEU A 31 -20.797 -0.967 -5.006 1.00 0.00 C ATOM 485 CD1 LEU A 31 -19.736 -2.050 -4.802 1.00 0.00 C ATOM 486 CD2 LEU A 31 -21.181 -0.372 -3.648 1.00 0.00 C ATOM 0 H LEU A 31 -18.619 -0.929 -7.384 1.00 0.00 H new ATOM 0 HA LEU A 31 -21.557 -0.682 -7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -19.159 0.199 -5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -20.647 1.105 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 31 -21.677 -1.407 -5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -20.135 -2.834 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -19.462 -2.477 -5.767 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -18.854 -1.612 -4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -21.576 -1.158 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -20.300 0.070 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -21.941 0.397 -3.789 1.00 0.00 H new ATOM 498 N MET A 32 -19.629 1.792 -8.485 1.00 0.00 N ATOM 499 CA MET A 32 -19.654 3.070 -9.274 1.00 0.00 C ATOM 500 C MET A 32 -20.381 2.852 -10.608 1.00 0.00 C ATOM 501 O MET A 32 -21.082 3.731 -11.075 1.00 0.00 O ATOM 502 CB MET A 32 -18.189 3.450 -9.514 1.00 0.00 C ATOM 503 CG MET A 32 -17.630 4.162 -8.279 1.00 0.00 C ATOM 504 SD MET A 32 -18.207 5.880 -8.256 1.00 0.00 S ATOM 505 CE MET A 32 -17.970 6.182 -6.488 1.00 0.00 C ATOM 0 H MET A 32 -18.695 1.473 -8.226 1.00 0.00 H new ATOM 0 HA MET A 32 -20.184 3.861 -8.743 1.00 0.00 H new ATOM 0 HB2 MET A 32 -17.602 2.557 -9.727 1.00 0.00 H new ATOM 0 HB3 MET A 32 -18.110 4.099 -10.386 1.00 0.00 H new ATOM 0 HG2 MET A 32 -17.951 3.648 -7.373 1.00 0.00 H new ATOM 0 HG3 MET A 32 -16.540 4.134 -8.292 1.00 0.00 H new ATOM 0 HE1 MET A 32 -18.270 7.203 -6.250 1.00 0.00 H new ATOM 0 HE2 MET A 32 -18.578 5.482 -5.915 1.00 0.00 H new ATOM 0 HE3 MET A 32 -16.919 6.044 -6.233 1.00 0.00 H new ATOM 515 N VAL A 33 -20.233 1.689 -11.211 1.00 0.00 N ATOM 516 CA VAL A 33 -20.929 1.396 -12.508 1.00 0.00 C ATOM 517 C VAL A 33 -22.452 1.543 -12.306 1.00 0.00 C ATOM 518 O VAL A 33 -23.169 1.922 -13.214 1.00 0.00 O ATOM 519 CB VAL A 33 -20.538 -0.050 -12.869 1.00 0.00 C ATOM 520 CG1 VAL A 33 -21.388 -0.562 -14.038 1.00 0.00 C ATOM 521 CG2 VAL A 33 -19.057 -0.097 -13.270 1.00 0.00 C ATOM 0 H VAL A 33 -19.655 0.927 -10.856 1.00 0.00 H new ATOM 0 HA VAL A 33 -20.645 2.078 -13.309 1.00 0.00 H new ATOM 0 HB VAL A 33 -20.711 -0.683 -11.999 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -21.097 -1.585 -14.279 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -22.441 -0.540 -13.759 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -21.230 0.074 -14.909 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -18.781 -1.120 -13.525 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -18.893 0.549 -14.133 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -18.444 0.247 -12.437 1.00 0.00 H new ATOM 531 N LEU A 34 -22.938 1.259 -11.113 1.00 0.00 N ATOM 532 CA LEU A 34 -24.402 1.389 -10.822 1.00 0.00 C ATOM 533 C LEU A 34 -24.757 2.820 -10.364 1.00 0.00 C ATOM 534 O LEU A 34 -25.842 3.057 -9.863 1.00 0.00 O ATOM 535 CB LEU A 34 -24.684 0.374 -9.702 1.00 0.00 C ATOM 536 CG LEU A 34 -25.601 -0.751 -10.202 1.00 0.00 C ATOM 537 CD1 LEU A 34 -26.960 -0.177 -10.615 1.00 0.00 C ATOM 538 CD2 LEU A 34 -24.958 -1.460 -11.401 1.00 0.00 C ATOM 0 H LEU A 34 -22.374 0.940 -10.325 1.00 0.00 H new ATOM 0 HA LEU A 34 -25.004 1.197 -11.710 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -23.745 -0.048 -9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -25.150 0.880 -8.856 1.00 0.00 H new ATOM 0 HG LEU A 34 -25.745 -1.469 -9.395 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -27.603 -0.983 -10.968 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -27.425 0.309 -9.758 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -26.820 0.552 -11.413 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -25.616 -2.256 -11.749 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -24.800 -0.742 -12.206 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -24.000 -1.886 -11.101 1.00 0.00 H new ATOM 550 N GLN A 35 -23.862 3.770 -10.533 1.00 0.00 N ATOM 551 CA GLN A 35 -24.130 5.185 -10.120 1.00 0.00 C ATOM 552 C GLN A 35 -23.618 6.167 -11.196 1.00 0.00 C ATOM 553 O GLN A 35 -23.312 7.311 -10.901 1.00 0.00 O ATOM 554 CB GLN A 35 -23.359 5.357 -8.804 1.00 0.00 C ATOM 555 CG GLN A 35 -24.241 4.942 -7.620 1.00 0.00 C ATOM 556 CD GLN A 35 -23.653 3.708 -6.924 1.00 0.00 C ATOM 557 OE1 GLN A 35 -22.475 3.662 -6.628 1.00 0.00 O ATOM 558 NE2 GLN A 35 -24.431 2.697 -6.640 1.00 0.00 N ATOM 0 H GLN A 35 -22.942 3.619 -10.947 1.00 0.00 H new ATOM 0 HA GLN A 35 -25.193 5.391 -9.999 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -22.453 4.752 -8.822 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -23.047 6.395 -8.689 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -24.319 5.765 -6.910 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -25.251 4.725 -7.969 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -25.420 2.730 -6.886 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -24.049 1.875 -6.172 1.00 0.00 H new ATOM 567 N ALA A 36 -23.531 5.739 -12.439 1.00 0.00 N ATOM 568 CA ALA A 36 -23.051 6.646 -13.529 1.00 0.00 C ATOM 569 C ALA A 36 -24.253 7.395 -14.122 1.00 0.00 C ATOM 570 O ALA A 36 -25.031 6.836 -14.876 1.00 0.00 O ATOM 571 CB ALA A 36 -22.394 5.732 -14.570 1.00 0.00 C ATOM 0 H ALA A 36 -23.774 4.796 -12.742 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.343 7.395 -13.175 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.020 6.334 -15.398 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -21.566 5.193 -14.110 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.129 5.019 -14.943 1.00 0.00 H new ATOM 577 N GLY A 37 -24.412 8.652 -13.773 1.00 0.00 N ATOM 578 CA GLY A 37 -25.567 9.452 -14.293 1.00 0.00 C ATOM 579 C GLY A 37 -26.852 8.923 -13.644 1.00 0.00 C ATOM 580 O GLY A 37 -27.829 8.651 -14.317 1.00 0.00 O ATOM 0 H GLY A 37 -23.787 9.160 -13.147 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -25.432 10.508 -14.061 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -25.628 9.369 -15.378 1.00 0.00 H new ATOM 584 N ILE A 38 -26.833 8.770 -12.340 1.00 0.00 N ATOM 585 CA ILE A 38 -28.024 8.247 -11.592 1.00 0.00 C ATOM 586 C ILE A 38 -28.633 9.341 -10.703 1.00 0.00 C ATOM 587 O ILE A 38 -28.009 10.357 -10.451 1.00 0.00 O ATOM 588 CB ILE A 38 -27.488 7.076 -10.742 1.00 0.00 C ATOM 589 CG1 ILE A 38 -26.444 7.585 -9.733 1.00 0.00 C ATOM 590 CG2 ILE A 38 -26.862 6.019 -11.654 1.00 0.00 C ATOM 591 CD1 ILE A 38 -26.730 6.988 -8.353 1.00 0.00 C ATOM 0 H ILE A 38 -26.029 8.989 -11.752 1.00 0.00 H new ATOM 0 HA ILE A 38 -28.818 7.925 -12.265 1.00 0.00 H new ATOM 0 HB ILE A 38 -28.317 6.630 -10.192 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -25.442 7.307 -10.060 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -26.473 8.673 -9.683 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -26.485 5.194 -11.049 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -27.615 5.646 -12.348 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -26.040 6.463 -12.215 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -25.990 7.350 -7.640 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -27.726 7.288 -8.026 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -26.679 5.901 -8.409 1.00 0.00 H new ATOM 603 N THR A 39 -29.844 9.127 -10.231 1.00 0.00 N ATOM 604 CA THR A 39 -30.541 10.123 -9.350 1.00 0.00 C ATOM 605 C THR A 39 -30.607 11.497 -10.040 1.00 0.00 C ATOM 606 O THR A 39 -29.955 12.445 -9.639 1.00 0.00 O ATOM 607 CB THR A 39 -29.731 10.171 -8.039 1.00 0.00 C ATOM 608 OG1 THR A 39 -29.492 8.848 -7.567 1.00 0.00 O ATOM 609 CG2 THR A 39 -30.503 10.960 -6.976 1.00 0.00 C ATOM 0 H THR A 39 -30.388 8.286 -10.425 1.00 0.00 H new ATOM 0 HA THR A 39 -31.574 9.839 -9.148 1.00 0.00 H new ATOM 0 HB THR A 39 -28.778 10.663 -8.232 1.00 0.00 H new ATOM 0 HG1 THR A 39 -28.976 8.886 -6.735 1.00 0.00 H new ATOM 0 HG21 THR A 39 -29.924 10.989 -6.053 1.00 0.00 H new ATOM 0 HG22 THR A 39 -30.673 11.977 -7.330 1.00 0.00 H new ATOM 0 HG23 THR A 39 -31.461 10.476 -6.788 1.00 0.00 H new ATOM 617 N LYS A 40 -31.399 11.596 -11.081 1.00 0.00 N ATOM 618 CA LYS A 40 -31.540 12.888 -11.825 1.00 0.00 C ATOM 619 C LYS A 40 -33.023 13.278 -11.908 1.00 0.00 C ATOM 620 O LYS A 40 -33.344 14.392 -11.528 1.00 0.00 O ATOM 621 CB LYS A 40 -30.966 12.622 -13.222 1.00 0.00 C ATOM 622 CG LYS A 40 -29.432 12.656 -13.180 1.00 0.00 C ATOM 623 CD LYS A 40 -28.916 13.910 -13.895 1.00 0.00 C ATOM 624 CE LYS A 40 -28.757 13.628 -15.395 1.00 0.00 C ATOM 625 NZ LYS A 40 -28.939 14.944 -16.076 1.00 0.00 N ATOM 626 OXT LYS A 40 -33.813 12.456 -12.348 1.00 0.00 O ATOM 0 H LYS A 40 -31.960 10.828 -11.451 1.00 0.00 H new ATOM 0 HA LYS A 40 -31.018 13.709 -11.334 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -31.306 11.652 -13.584 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -31.335 13.371 -13.923 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -29.088 12.650 -12.146 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -29.027 11.763 -13.656 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -29.610 14.737 -13.743 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -27.959 14.214 -13.470 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -27.775 13.207 -15.612 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -29.497 12.904 -15.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -28.842 14.819 -17.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -29.885 15.319 -15.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -28.217 15.612 -15.739 1.00 0.00 H new TER 640 LYS A 40