USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 576 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 SER N :NH3+ -130:sc= 0.235 (180deg=0.00925) USER MOD Single : A 1 SER OG : rot 180:sc= 0.112 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 136:sc= 0.0352 USER MOD Single : A 30 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.045) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= -0.0147 (180deg=-0.453) USER MOD Single : A 41 SER OG : rot 57:sc= -0.658 USER MOD Single : A 42 MET CE :methyl 176:sc= 0 (180deg=-0.00198) USER MOD Single : A 46 SER OG : rot -121:sc= -0.859 USER MOD Single : A 48 LYS NZ :NH3+ -153:sc= -0.0191 (180deg=-0.507) USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= -0.0951 (180deg=-0.657) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -48:sc= 0.0764 USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= 0.281 (180deg=0.22) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.546 -10.052 -6.258 1.00 0.00 N ATOM 2 CA SER A 1 -9.991 -8.685 -6.466 1.00 0.00 C ATOM 3 C SER A 1 -8.825 -8.754 -7.455 1.00 0.00 C ATOM 4 O SER A 1 -8.378 -9.819 -7.830 1.00 0.00 O ATOM 5 CB SER A 1 -9.495 -8.128 -5.131 1.00 0.00 C ATOM 6 OG SER A 1 -8.820 -9.154 -4.416 1.00 0.00 O ATOM 0 H1 SER A 1 -11.579 -10.029 -6.379 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.130 -10.705 -6.953 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.317 -10.377 -5.297 1.00 0.00 H new ATOM 0 HA SER A 1 -10.768 -8.033 -6.865 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.824 -7.286 -5.302 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.335 -7.753 -4.546 1.00 0.00 H new ATOM 0 HG SER A 1 -8.499 -8.800 -3.560 1.00 0.00 H new ATOM 14 N GLU A 2 -8.328 -7.624 -7.880 1.00 0.00 N ATOM 15 CA GLU A 2 -7.193 -7.626 -8.844 1.00 0.00 C ATOM 16 C GLU A 2 -5.965 -6.990 -8.188 1.00 0.00 C ATOM 17 O GLU A 2 -6.059 -5.971 -7.534 1.00 0.00 O ATOM 18 CB GLU A 2 -7.579 -6.824 -10.089 1.00 0.00 C ATOM 19 CG GLU A 2 -8.757 -7.502 -10.788 1.00 0.00 C ATOM 20 CD GLU A 2 -8.236 -8.418 -11.898 1.00 0.00 C ATOM 21 OE1 GLU A 2 -7.093 -8.249 -12.289 1.00 0.00 O ATOM 22 OE2 GLU A 2 -8.988 -9.272 -12.336 1.00 0.00 O ATOM 0 H GLU A 2 -8.659 -6.701 -7.601 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.962 -8.652 -9.130 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.846 -5.805 -9.810 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.729 -6.756 -10.769 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.337 -8.080 -10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.426 -6.750 -11.207 1.00 0.00 H new ATOM 29 N ILE A 3 -4.816 -7.583 -8.358 1.00 0.00 N ATOM 30 CA ILE A 3 -3.584 -7.012 -7.744 1.00 0.00 C ATOM 31 C ILE A 3 -2.934 -6.032 -8.724 1.00 0.00 C ATOM 32 O ILE A 3 -2.871 -6.278 -9.911 1.00 0.00 O ATOM 33 CB ILE A 3 -2.603 -8.142 -7.425 1.00 0.00 C ATOM 34 CG1 ILE A 3 -3.358 -9.304 -6.777 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.532 -7.630 -6.461 1.00 0.00 C ATOM 36 CD1 ILE A 3 -4.207 -8.778 -5.617 1.00 0.00 C ATOM 0 H ILE A 3 -4.677 -8.439 -8.896 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.844 -6.487 -6.825 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.130 -8.484 -8.346 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.994 -9.794 -7.514 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.653 -10.053 -6.415 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.833 -8.435 -6.233 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.994 -6.801 -6.922 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.005 -7.289 -5.540 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.745 -9.606 -5.155 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.560 -8.308 -4.877 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.921 -8.045 -5.992 1.00 0.00 H new ATOM 48 N ILE A 4 -2.451 -4.922 -8.236 1.00 0.00 N ATOM 49 CA ILE A 4 -1.806 -3.930 -9.140 1.00 0.00 C ATOM 50 C ILE A 4 -0.291 -3.963 -8.936 1.00 0.00 C ATOM 51 O ILE A 4 0.193 -4.010 -7.822 1.00 0.00 O ATOM 52 CB ILE A 4 -2.333 -2.530 -8.820 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.859 -2.575 -8.705 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.936 -1.566 -9.939 1.00 0.00 C ATOM 55 CD1 ILE A 4 -4.282 -2.070 -7.324 1.00 0.00 C ATOM 0 H ILE A 4 -2.476 -4.660 -7.251 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.038 -4.178 -10.176 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.906 -2.188 -7.878 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.311 -1.960 -9.483 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.216 -3.594 -8.856 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.312 -0.569 -9.710 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.850 -1.534 -10.023 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.363 -1.907 -10.882 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.368 -2.102 -7.242 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.841 -2.703 -6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.938 -1.044 -7.191 1.00 0.00 H new ATOM 67 N ARG A 5 0.464 -3.942 -10.000 1.00 0.00 N ATOM 68 CA ARG A 5 1.945 -3.975 -9.862 1.00 0.00 C ATOM 69 C ARG A 5 2.565 -2.838 -10.682 1.00 0.00 C ATOM 70 O ARG A 5 2.099 -2.508 -11.755 1.00 0.00 O ATOM 71 CB ARG A 5 2.471 -5.322 -10.367 1.00 0.00 C ATOM 72 CG ARG A 5 2.455 -5.347 -11.898 1.00 0.00 C ATOM 73 CD ARG A 5 2.005 -6.725 -12.383 1.00 0.00 C ATOM 74 NE ARG A 5 3.181 -7.474 -12.909 1.00 0.00 N ATOM 75 CZ ARG A 5 3.027 -8.331 -13.881 1.00 0.00 C ATOM 76 NH1 ARG A 5 2.268 -8.033 -14.900 1.00 0.00 N ATOM 77 NH2 ARG A 5 3.634 -9.486 -13.835 1.00 0.00 N ATOM 0 H ARG A 5 0.118 -3.903 -10.959 1.00 0.00 H new ATOM 0 HA ARG A 5 2.216 -3.849 -8.814 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.485 -5.486 -10.003 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.856 -6.132 -9.975 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.781 -4.579 -12.277 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.448 -5.120 -12.286 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.544 -7.278 -11.564 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.249 -6.620 -13.161 1.00 0.00 H new ATOM 0 HE ARG A 5 4.106 -7.317 -12.509 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.795 -7.130 -14.937 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.148 -8.703 -15.660 1.00 0.00 H new ATOM 0 HH21 ARG A 5 4.228 -9.718 -13.039 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.514 -10.156 -14.595 1.00 0.00 H new ATOM 91 N VAL A 6 3.614 -2.244 -10.186 1.00 0.00 N ATOM 92 CA VAL A 6 4.269 -1.135 -10.934 1.00 0.00 C ATOM 93 C VAL A 6 4.810 -1.679 -12.263 1.00 0.00 C ATOM 94 O VAL A 6 5.304 -2.788 -12.315 1.00 0.00 O ATOM 95 CB VAL A 6 5.421 -0.580 -10.092 1.00 0.00 C ATOM 96 CG1 VAL A 6 5.877 0.764 -10.658 1.00 0.00 C ATOM 97 CG2 VAL A 6 4.948 -0.386 -8.650 1.00 0.00 C ATOM 0 H VAL A 6 4.047 -2.479 -9.293 1.00 0.00 H new ATOM 0 HA VAL A 6 3.551 -0.340 -11.135 1.00 0.00 H new ATOM 0 HB VAL A 6 6.254 -1.283 -10.116 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.697 1.154 -10.055 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.215 0.630 -11.686 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.045 1.468 -10.638 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.767 0.009 -8.049 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.113 0.315 -8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.626 -1.344 -8.241 1.00 0.00 H new ATOM 107 N PRO A 7 4.693 -0.888 -13.301 1.00 0.00 N ATOM 108 CA PRO A 7 5.158 -1.275 -14.647 1.00 0.00 C ATOM 109 C PRO A 7 6.682 -1.155 -14.756 1.00 0.00 C ATOM 110 O PRO A 7 7.353 -0.757 -13.825 1.00 0.00 O ATOM 111 CB PRO A 7 4.459 -0.272 -15.570 1.00 0.00 C ATOM 112 CG PRO A 7 4.099 0.950 -14.694 1.00 0.00 C ATOM 113 CD PRO A 7 4.090 0.459 -13.234 1.00 0.00 C ATOM 0 HA PRO A 7 4.926 -2.311 -14.895 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.112 0.019 -16.393 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.564 -0.710 -16.013 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.826 1.751 -14.829 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.125 1.353 -14.973 1.00 0.00 H new ATOM 0 HD2 PRO A 7 4.666 1.121 -12.588 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.077 0.423 -12.832 1.00 0.00 H new ATOM 121 N ASP A 8 7.230 -1.504 -15.889 1.00 0.00 N ATOM 122 CA ASP A 8 8.707 -1.423 -16.070 1.00 0.00 C ATOM 123 C ASP A 8 9.184 0.008 -15.816 1.00 0.00 C ATOM 124 O ASP A 8 8.474 0.964 -16.063 1.00 0.00 O ATOM 125 CB ASP A 8 9.068 -1.833 -17.499 1.00 0.00 C ATOM 126 CG ASP A 8 10.584 -1.997 -17.616 1.00 0.00 C ATOM 127 OD1 ASP A 8 11.277 -0.998 -17.526 1.00 0.00 O ATOM 128 OD2 ASP A 8 11.026 -3.120 -17.795 1.00 0.00 O ATOM 0 H ASP A 8 6.714 -1.844 -16.701 1.00 0.00 H new ATOM 0 HA ASP A 8 9.193 -2.095 -15.362 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.570 -2.767 -17.757 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.718 -1.079 -18.204 1.00 0.00 H new ATOM 133 N ILE A 9 10.379 0.157 -15.319 1.00 0.00 N ATOM 134 CA ILE A 9 10.915 1.507 -15.036 1.00 0.00 C ATOM 135 C ILE A 9 12.188 1.721 -15.866 1.00 0.00 C ATOM 136 O ILE A 9 12.424 2.787 -16.398 1.00 0.00 O ATOM 137 CB ILE A 9 11.237 1.592 -13.536 1.00 0.00 C ATOM 138 CG1 ILE A 9 12.369 2.588 -13.295 1.00 0.00 C ATOM 139 CG2 ILE A 9 11.671 0.214 -13.030 1.00 0.00 C ATOM 140 CD1 ILE A 9 12.105 3.369 -12.007 1.00 0.00 C ATOM 0 H ILE A 9 11.011 -0.612 -15.096 1.00 0.00 H new ATOM 0 HA ILE A 9 10.189 2.277 -15.298 1.00 0.00 H new ATOM 0 HB ILE A 9 10.346 1.923 -13.003 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.320 2.061 -13.223 1.00 0.00 H new ATOM 0 HG13 ILE A 9 12.448 3.274 -14.138 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.900 0.273 -11.966 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.865 -0.502 -13.189 1.00 0.00 H new ATOM 0 HG23 ILE A 9 12.558 -0.111 -13.574 1.00 0.00 H new ATOM 0 HD11 ILE A 9 12.915 4.078 -11.839 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.162 3.909 -12.096 1.00 0.00 H new ATOM 0 HD13 ILE A 9 12.049 2.677 -11.167 1.00 0.00 H new ATOM 152 N GLY A 10 13.012 0.714 -15.965 1.00 0.00 N ATOM 153 CA GLY A 10 14.275 0.855 -16.742 1.00 0.00 C ATOM 154 C GLY A 10 15.447 0.997 -15.767 1.00 0.00 C ATOM 155 O GLY A 10 16.549 1.336 -16.149 1.00 0.00 O ATOM 0 H GLY A 10 12.864 -0.202 -15.540 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.422 -0.014 -17.383 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.220 1.726 -17.394 1.00 0.00 H new ATOM 159 N GLY A 11 15.212 0.739 -14.508 1.00 0.00 N ATOM 160 CA GLY A 11 16.304 0.858 -13.500 1.00 0.00 C ATOM 161 C GLY A 11 15.777 0.431 -12.130 1.00 0.00 C ATOM 162 O GLY A 11 15.418 -0.711 -11.920 1.00 0.00 O ATOM 0 H GLY A 11 14.308 0.450 -14.134 1.00 0.00 H new ATOM 0 HA2 GLY A 11 17.150 0.233 -13.788 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.666 1.885 -13.459 1.00 0.00 H new ATOM 166 N ASP A 12 15.726 1.339 -11.195 1.00 0.00 N ATOM 167 CA ASP A 12 15.219 0.986 -9.838 1.00 0.00 C ATOM 168 C ASP A 12 14.214 2.045 -9.378 1.00 0.00 C ATOM 169 O ASP A 12 14.051 3.073 -10.005 1.00 0.00 O ATOM 170 CB ASP A 12 16.390 0.933 -8.854 1.00 0.00 C ATOM 171 CG ASP A 12 16.378 -0.406 -8.116 1.00 0.00 C ATOM 172 OD1 ASP A 12 15.473 -0.615 -7.325 1.00 0.00 O ATOM 173 OD2 ASP A 12 17.272 -1.201 -8.356 1.00 0.00 O ATOM 0 H ASP A 12 16.013 2.311 -11.311 1.00 0.00 H new ATOM 0 HA ASP A 12 14.730 0.012 -9.874 1.00 0.00 H new ATOM 0 HB2 ASP A 12 17.332 1.058 -9.387 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.316 1.754 -8.141 1.00 0.00 H new ATOM 178 N GLY A 13 13.537 1.802 -8.289 1.00 0.00 N ATOM 179 CA GLY A 13 12.543 2.795 -7.792 1.00 0.00 C ATOM 180 C GLY A 13 12.496 2.755 -6.264 1.00 0.00 C ATOM 181 O GLY A 13 12.709 1.728 -5.652 1.00 0.00 O ATOM 0 H GLY A 13 13.629 0.959 -7.722 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.813 3.795 -8.131 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.557 2.574 -8.202 1.00 0.00 H new ATOM 185 N GLU A 14 12.215 3.868 -5.641 1.00 0.00 N ATOM 186 CA GLU A 14 12.154 3.895 -4.152 1.00 0.00 C ATOM 187 C GLU A 14 10.817 4.494 -3.709 1.00 0.00 C ATOM 188 O GLU A 14 10.337 5.453 -4.280 1.00 0.00 O ATOM 189 CB GLU A 14 13.300 4.750 -3.610 1.00 0.00 C ATOM 190 CG GLU A 14 13.388 4.587 -2.092 1.00 0.00 C ATOM 191 CD GLU A 14 13.942 5.870 -1.471 1.00 0.00 C ATOM 192 OE1 GLU A 14 13.263 6.879 -1.540 1.00 0.00 O ATOM 193 OE2 GLU A 14 15.039 5.819 -0.937 1.00 0.00 O ATOM 0 H GLU A 14 12.025 4.759 -6.099 1.00 0.00 H new ATOM 0 HA GLU A 14 12.245 2.880 -3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 14 14.240 4.451 -4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.138 5.797 -3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.402 4.368 -1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.031 3.743 -1.843 1.00 0.00 H new ATOM 200 N VAL A 15 10.213 3.936 -2.696 1.00 0.00 N ATOM 201 CA VAL A 15 8.908 4.475 -2.219 1.00 0.00 C ATOM 202 C VAL A 15 9.153 5.726 -1.372 1.00 0.00 C ATOM 203 O VAL A 15 10.087 5.789 -0.597 1.00 0.00 O ATOM 204 CB VAL A 15 8.198 3.417 -1.372 1.00 0.00 C ATOM 205 CG1 VAL A 15 6.776 3.884 -1.060 1.00 0.00 C ATOM 206 CG2 VAL A 15 8.141 2.099 -2.149 1.00 0.00 C ATOM 0 H VAL A 15 10.566 3.131 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 15 8.285 4.732 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 15 8.745 3.269 -0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.270 3.131 -0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.814 4.824 -0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.229 4.031 -1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.636 1.344 -1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.593 2.248 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.154 1.765 -2.374 1.00 0.00 H new ATOM 216 N ILE A 16 8.323 6.723 -1.515 1.00 0.00 N ATOM 217 CA ILE A 16 8.510 7.968 -0.719 1.00 0.00 C ATOM 218 C ILE A 16 7.570 7.949 0.488 1.00 0.00 C ATOM 219 O ILE A 16 7.996 7.796 1.616 1.00 0.00 O ATOM 220 CB ILE A 16 8.195 9.183 -1.592 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.181 9.239 -2.762 1.00 0.00 C ATOM 222 CG2 ILE A 16 8.324 10.459 -0.758 1.00 0.00 C ATOM 223 CD1 ILE A 16 10.613 9.239 -2.224 1.00 0.00 C ATOM 0 H ILE A 16 7.524 6.729 -2.149 1.00 0.00 H new ATOM 0 HA ILE A 16 9.542 8.026 -0.374 1.00 0.00 H new ATOM 0 HB ILE A 16 7.178 9.100 -1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.029 8.384 -3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.005 10.135 -3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.099 11.325 -1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.624 10.421 0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.341 10.542 -0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.315 9.279 -3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.761 10.108 -1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.785 8.330 -1.648 1.00 0.00 H new ATOM 235 N GLU A 17 6.294 8.105 0.262 1.00 0.00 N ATOM 236 CA GLU A 17 5.331 8.098 1.399 1.00 0.00 C ATOM 237 C GLU A 17 3.973 7.583 0.915 1.00 0.00 C ATOM 238 O GLU A 17 3.740 7.433 -0.267 1.00 0.00 O ATOM 239 CB GLU A 17 5.172 9.520 1.942 1.00 0.00 C ATOM 240 CG GLU A 17 4.623 10.428 0.839 1.00 0.00 C ATOM 241 CD GLU A 17 5.373 11.762 0.857 1.00 0.00 C ATOM 242 OE1 GLU A 17 6.215 11.934 1.722 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.092 12.588 0.005 1.00 0.00 O ATOM 0 H GLU A 17 5.877 8.237 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 17 5.707 7.447 2.188 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.497 9.521 2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.133 9.896 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.737 9.948 -0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.556 10.596 0.989 1.00 0.00 H new ATOM 250 N LEU A 18 3.075 7.310 1.823 1.00 0.00 N ATOM 251 CA LEU A 18 1.734 6.806 1.415 1.00 0.00 C ATOM 252 C LEU A 18 0.673 7.859 1.742 1.00 0.00 C ATOM 253 O LEU A 18 0.653 8.420 2.820 1.00 0.00 O ATOM 254 CB LEU A 18 1.422 5.515 2.176 1.00 0.00 C ATOM 255 CG LEU A 18 0.862 4.474 1.207 1.00 0.00 C ATOM 256 CD1 LEU A 18 2.011 3.665 0.604 1.00 0.00 C ATOM 257 CD2 LEU A 18 -0.083 3.533 1.960 1.00 0.00 C ATOM 0 H LEU A 18 3.213 7.414 2.828 1.00 0.00 H new ATOM 0 HA LEU A 18 1.731 6.607 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.325 5.134 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.702 5.713 2.970 1.00 0.00 H new ATOM 0 HG LEU A 18 0.316 4.978 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.610 2.923 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.685 4.334 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.558 3.161 1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.483 2.790 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.464 3.030 2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.903 4.108 2.389 1.00 0.00 H new ATOM 269 N LEU A 19 -0.207 8.134 0.820 1.00 0.00 N ATOM 270 CA LEU A 19 -1.265 9.151 1.079 1.00 0.00 C ATOM 271 C LEU A 19 -2.632 8.466 1.131 1.00 0.00 C ATOM 272 O LEU A 19 -3.661 9.110 1.104 1.00 0.00 O ATOM 273 CB LEU A 19 -1.258 10.191 -0.044 1.00 0.00 C ATOM 274 CG LEU A 19 -1.750 9.546 -1.339 1.00 0.00 C ATOM 275 CD1 LEU A 19 -3.069 10.193 -1.765 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.705 9.750 -2.438 1.00 0.00 C ATOM 0 H LEU A 19 -0.240 7.699 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.070 9.643 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.898 11.033 0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.252 10.586 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.905 8.479 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.419 9.732 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.814 10.049 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.915 11.260 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.055 9.290 -3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.550 10.817 -2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.235 9.288 -2.136 1.00 0.00 H new ATOM 288 N VAL A 20 -2.650 7.162 1.206 1.00 0.00 N ATOM 289 CA VAL A 20 -3.951 6.439 1.259 1.00 0.00 C ATOM 290 C VAL A 20 -3.881 5.341 2.323 1.00 0.00 C ATOM 291 O VAL A 20 -2.824 5.020 2.828 1.00 0.00 O ATOM 292 CB VAL A 20 -4.241 5.810 -0.105 1.00 0.00 C ATOM 293 CG1 VAL A 20 -4.926 6.838 -1.007 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.927 5.364 -0.748 1.00 0.00 C ATOM 0 H VAL A 20 -1.821 6.568 1.233 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.746 7.140 1.512 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.895 4.948 0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.132 6.389 -1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.862 7.158 -0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.273 7.701 -1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.131 4.915 -1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.274 6.227 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.438 4.631 -0.106 1.00 0.00 H new ATOM 304 N LYS A 21 -4.999 4.762 2.666 1.00 0.00 N ATOM 305 CA LYS A 21 -4.996 3.687 3.696 1.00 0.00 C ATOM 306 C LYS A 21 -5.797 2.488 3.183 1.00 0.00 C ATOM 307 O LYS A 21 -6.328 2.505 2.091 1.00 0.00 O ATOM 308 CB LYS A 21 -5.633 4.212 4.985 1.00 0.00 C ATOM 309 CG LYS A 21 -4.545 4.777 5.899 1.00 0.00 C ATOM 310 CD LYS A 21 -4.774 4.286 7.330 1.00 0.00 C ATOM 311 CE LYS A 21 -5.720 5.244 8.054 1.00 0.00 C ATOM 312 NZ LYS A 21 -6.856 4.476 8.635 1.00 0.00 N ATOM 0 H LYS A 21 -5.914 4.988 2.277 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.970 3.380 3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.365 4.985 4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.168 3.409 5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.562 4.463 5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.561 5.867 5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.197 3.281 7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.824 4.226 7.861 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.185 5.774 8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.093 5.997 7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.500 5.128 9.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.371 3.990 7.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.491 3.774 9.310 1.00 0.00 H new ATOM 326 N THR A 22 -5.888 1.445 3.964 1.00 0.00 N ATOM 327 CA THR A 22 -6.653 0.247 3.519 1.00 0.00 C ATOM 328 C THR A 22 -8.135 0.437 3.849 1.00 0.00 C ATOM 329 O THR A 22 -8.489 1.085 4.813 1.00 0.00 O ATOM 330 CB THR A 22 -6.125 -0.994 4.245 1.00 0.00 C ATOM 331 OG1 THR A 22 -6.784 -2.149 3.745 1.00 0.00 O ATOM 332 CG2 THR A 22 -6.392 -0.862 5.746 1.00 0.00 C ATOM 0 H THR A 22 -5.466 1.372 4.890 1.00 0.00 H new ATOM 0 HA THR A 22 -6.533 0.118 2.443 1.00 0.00 H new ATOM 0 HB THR A 22 -5.052 -1.085 4.076 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.129 -2.863 3.602 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.016 -1.746 6.262 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.886 0.024 6.129 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.464 -0.771 5.918 1.00 0.00 H new ATOM 340 N GLY A 23 -9.006 -0.124 3.054 1.00 0.00 N ATOM 341 CA GLY A 23 -10.464 0.026 3.322 1.00 0.00 C ATOM 342 C GLY A 23 -10.958 1.357 2.750 1.00 0.00 C ATOM 343 O GLY A 23 -12.142 1.628 2.719 1.00 0.00 O ATOM 0 H GLY A 23 -8.770 -0.679 2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.013 -0.801 2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.652 -0.012 4.395 1.00 0.00 H new ATOM 347 N ASP A 24 -10.060 2.189 2.296 1.00 0.00 N ATOM 348 CA ASP A 24 -10.482 3.500 1.728 1.00 0.00 C ATOM 349 C ASP A 24 -10.849 3.323 0.253 1.00 0.00 C ATOM 350 O ASP A 24 -10.192 2.610 -0.479 1.00 0.00 O ATOM 351 CB ASP A 24 -9.331 4.501 1.850 1.00 0.00 C ATOM 352 CG ASP A 24 -8.922 4.634 3.317 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.474 3.913 4.133 1.00 0.00 O ATOM 354 OD2 ASP A 24 -8.064 5.453 3.602 1.00 0.00 O ATOM 0 H ASP A 24 -9.055 2.017 2.294 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.348 3.872 2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.481 4.168 1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.636 5.471 1.457 1.00 0.00 H new ATOM 359 N LEU A 25 -11.895 3.967 -0.189 1.00 0.00 N ATOM 360 CA LEU A 25 -12.303 3.835 -1.616 1.00 0.00 C ATOM 361 C LEU A 25 -11.525 4.843 -2.463 1.00 0.00 C ATOM 362 O LEU A 25 -11.532 6.028 -2.196 1.00 0.00 O ATOM 363 CB LEU A 25 -13.803 4.111 -1.742 1.00 0.00 C ATOM 364 CG LEU A 25 -14.525 2.831 -2.165 1.00 0.00 C ATOM 365 CD1 LEU A 25 -14.160 2.494 -3.612 1.00 0.00 C ATOM 366 CD2 LEU A 25 -14.097 1.681 -1.252 1.00 0.00 C ATOM 0 H LEU A 25 -12.484 4.578 0.376 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.088 2.825 -1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.199 4.467 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.978 4.899 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 25 -15.602 2.978 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.674 1.582 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.462 3.314 -4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.083 2.346 -3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.611 0.768 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.020 1.534 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.355 1.920 -0.220 1.00 0.00 H new ATOM 378 N ILE A 26 -10.853 4.383 -3.483 1.00 0.00 N ATOM 379 CA ILE A 26 -10.075 5.312 -4.344 1.00 0.00 C ATOM 380 C ILE A 26 -10.951 5.772 -5.511 1.00 0.00 C ATOM 381 O ILE A 26 -12.136 5.506 -5.552 1.00 0.00 O ATOM 382 CB ILE A 26 -8.846 4.579 -4.882 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.328 3.605 -3.821 1.00 0.00 C ATOM 384 CG2 ILE A 26 -7.748 5.589 -5.220 1.00 0.00 C ATOM 385 CD1 ILE A 26 -7.047 2.937 -4.323 1.00 0.00 C ATOM 0 H ILE A 26 -10.811 3.401 -3.756 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.760 6.180 -3.766 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.122 4.029 -5.782 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.133 4.136 -2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.084 2.850 -3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.874 5.062 -5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.113 6.284 -5.976 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.473 6.142 -4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.678 2.243 -3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.257 2.393 -5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.291 3.698 -4.516 1.00 0.00 H new ATOM 397 N GLU A 27 -10.381 6.460 -6.461 1.00 0.00 N ATOM 398 CA GLU A 27 -11.182 6.934 -7.623 1.00 0.00 C ATOM 399 C GLU A 27 -10.371 6.752 -8.908 1.00 0.00 C ATOM 400 O GLU A 27 -9.216 6.376 -8.876 1.00 0.00 O ATOM 401 CB GLU A 27 -11.519 8.416 -7.440 1.00 0.00 C ATOM 402 CG GLU A 27 -13.027 8.576 -7.239 1.00 0.00 C ATOM 403 CD GLU A 27 -13.364 8.426 -5.755 1.00 0.00 C ATOM 404 OE1 GLU A 27 -12.488 8.671 -4.941 1.00 0.00 O ATOM 405 OE2 GLU A 27 -14.491 8.069 -5.456 1.00 0.00 O ATOM 0 H GLU A 27 -9.394 6.715 -6.482 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.104 6.357 -7.689 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.982 8.818 -6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.196 8.984 -8.312 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.351 9.553 -7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.564 7.827 -7.822 1.00 0.00 H new ATOM 412 N VAL A 28 -10.966 7.012 -10.040 1.00 0.00 N ATOM 413 CA VAL A 28 -10.228 6.851 -11.324 1.00 0.00 C ATOM 414 C VAL A 28 -9.433 8.125 -11.620 1.00 0.00 C ATOM 415 O VAL A 28 -9.687 8.813 -12.588 1.00 0.00 O ATOM 416 CB VAL A 28 -11.224 6.597 -12.456 1.00 0.00 C ATOM 417 CG1 VAL A 28 -12.106 7.831 -12.649 1.00 0.00 C ATOM 418 CG2 VAL A 28 -10.460 6.310 -13.751 1.00 0.00 C ATOM 0 H VAL A 28 -11.931 7.329 -10.131 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.544 6.006 -11.246 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.849 5.741 -12.203 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.815 7.649 -13.456 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -12.650 8.037 -11.727 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.482 8.688 -12.901 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.169 6.129 -14.559 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.835 7.167 -14.002 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.832 5.430 -13.615 1.00 0.00 H new ATOM 428 N GLU A 29 -8.470 8.440 -10.795 1.00 0.00 N ATOM 429 CA GLU A 29 -7.657 9.666 -11.029 1.00 0.00 C ATOM 430 C GLU A 29 -6.918 10.041 -9.742 1.00 0.00 C ATOM 431 O GLU A 29 -5.756 10.397 -9.764 1.00 0.00 O ATOM 432 CB GLU A 29 -8.573 10.820 -11.444 1.00 0.00 C ATOM 433 CG GLU A 29 -8.435 11.064 -12.947 1.00 0.00 C ATOM 434 CD GLU A 29 -7.609 12.330 -13.185 1.00 0.00 C ATOM 435 OE1 GLU A 29 -6.754 12.618 -12.363 1.00 0.00 O ATOM 436 OE2 GLU A 29 -7.844 12.989 -14.184 1.00 0.00 O ATOM 0 H GLU A 29 -8.212 7.900 -9.969 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.935 9.474 -11.823 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.608 10.584 -11.196 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.311 11.723 -10.892 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.955 10.209 -13.422 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.420 11.169 -13.401 1.00 0.00 H new ATOM 443 N GLN A 30 -7.582 9.965 -8.621 1.00 0.00 N ATOM 444 CA GLN A 30 -6.916 10.318 -7.335 1.00 0.00 C ATOM 445 C GLN A 30 -5.519 9.694 -7.295 1.00 0.00 C ATOM 446 O GLN A 30 -5.277 8.651 -7.869 1.00 0.00 O ATOM 447 CB GLN A 30 -7.746 9.783 -6.166 1.00 0.00 C ATOM 448 CG GLN A 30 -7.556 10.688 -4.948 1.00 0.00 C ATOM 449 CD GLN A 30 -7.145 9.842 -3.742 1.00 0.00 C ATOM 450 OE1 GLN A 30 -6.244 10.202 -3.011 1.00 0.00 O ATOM 451 NE2 GLN A 30 -7.771 8.723 -3.502 1.00 0.00 N ATOM 0 H GLN A 30 -8.556 9.674 -8.540 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.833 11.402 -7.256 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.800 9.744 -6.442 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.441 8.764 -5.926 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.794 11.439 -5.155 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.481 11.223 -4.732 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.528 8.420 -4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.504 8.151 -2.701 1.00 0.00 H new ATOM 460 N GLY A 31 -4.597 10.325 -6.619 1.00 0.00 N ATOM 461 CA GLY A 31 -3.217 9.768 -6.541 1.00 0.00 C ATOM 462 C GLY A 31 -3.200 8.575 -5.586 1.00 0.00 C ATOM 463 O GLY A 31 -4.145 8.333 -4.861 1.00 0.00 O ATOM 0 H GLY A 31 -4.740 11.202 -6.118 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.882 9.459 -7.531 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.524 10.534 -6.194 1.00 0.00 H new ATOM 467 N LEU A 32 -2.131 7.825 -5.576 1.00 0.00 N ATOM 468 CA LEU A 32 -2.055 6.648 -4.666 1.00 0.00 C ATOM 469 C LEU A 32 -0.762 6.716 -3.850 1.00 0.00 C ATOM 470 O LEU A 32 -0.762 6.516 -2.652 1.00 0.00 O ATOM 471 CB LEU A 32 -2.068 5.362 -5.494 1.00 0.00 C ATOM 472 CG LEU A 32 -2.836 4.276 -4.738 1.00 0.00 C ATOM 473 CD1 LEU A 32 -4.316 4.654 -4.668 1.00 0.00 C ATOM 474 CD2 LEU A 32 -2.685 2.942 -5.473 1.00 0.00 C ATOM 0 H LEU A 32 -1.308 7.977 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.911 6.655 -3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.534 5.545 -6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.048 5.032 -5.689 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.437 4.183 -3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.864 3.881 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.424 5.605 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.716 4.746 -5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.231 2.167 -4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.086 3.035 -6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.630 2.673 -5.525 1.00 0.00 H new ATOM 486 N VAL A 33 0.341 6.996 -4.490 1.00 0.00 N ATOM 487 CA VAL A 33 1.631 7.075 -3.748 1.00 0.00 C ATOM 488 C VAL A 33 2.624 7.927 -4.540 1.00 0.00 C ATOM 489 O VAL A 33 2.291 8.497 -5.561 1.00 0.00 O ATOM 490 CB VAL A 33 2.200 5.668 -3.563 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.266 4.852 -2.667 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.321 4.985 -4.928 1.00 0.00 C ATOM 0 H VAL A 33 0.404 7.173 -5.493 1.00 0.00 H new ATOM 0 HA VAL A 33 1.461 7.529 -2.772 1.00 0.00 H new ATOM 0 HB VAL A 33 3.184 5.732 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.672 3.849 -2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.178 5.338 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.282 4.787 -3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.727 3.982 -4.798 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.337 4.921 -5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.986 5.565 -5.567 1.00 0.00 H new ATOM 502 N VAL A 34 3.841 8.021 -4.079 1.00 0.00 N ATOM 503 CA VAL A 34 4.852 8.837 -4.808 1.00 0.00 C ATOM 504 C VAL A 34 6.169 8.064 -4.891 1.00 0.00 C ATOM 505 O VAL A 34 6.895 7.948 -3.924 1.00 0.00 O ATOM 506 CB VAL A 34 5.078 10.152 -4.059 1.00 0.00 C ATOM 507 CG1 VAL A 34 6.215 10.929 -4.725 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.797 10.987 -4.099 1.00 0.00 C ATOM 0 H VAL A 34 4.179 7.568 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 34 4.492 9.048 -5.815 1.00 0.00 H new ATOM 0 HB VAL A 34 5.342 9.940 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.376 11.866 -4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.128 10.334 -4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.952 11.142 -5.761 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.957 11.924 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.533 11.199 -5.135 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.987 10.433 -3.625 1.00 0.00 H new ATOM 518 N LEU A 35 6.485 7.534 -6.041 1.00 0.00 N ATOM 519 CA LEU A 35 7.756 6.771 -6.186 1.00 0.00 C ATOM 520 C LEU A 35 8.876 7.724 -6.612 1.00 0.00 C ATOM 521 O LEU A 35 8.633 8.858 -6.975 1.00 0.00 O ATOM 522 CB LEU A 35 7.580 5.684 -7.249 1.00 0.00 C ATOM 523 CG LEU A 35 6.544 4.666 -6.771 1.00 0.00 C ATOM 524 CD1 LEU A 35 6.873 4.233 -5.342 1.00 0.00 C ATOM 525 CD2 LEU A 35 5.153 5.303 -6.802 1.00 0.00 C ATOM 0 H LEU A 35 5.918 7.597 -6.886 1.00 0.00 H new ATOM 0 HA LEU A 35 8.014 6.309 -5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.260 6.130 -8.191 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.532 5.188 -7.439 1.00 0.00 H new ATOM 0 HG LEU A 35 6.562 3.795 -7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.134 3.507 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.864 3.780 -5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.856 5.103 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.413 4.578 -6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.137 6.174 -6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.917 5.611 -7.820 1.00 0.00 H new ATOM 537 N GLU A 36 10.100 7.273 -6.572 1.00 0.00 N ATOM 538 CA GLU A 36 11.231 8.155 -6.974 1.00 0.00 C ATOM 539 C GLU A 36 11.966 7.532 -8.164 1.00 0.00 C ATOM 540 O GLU A 36 12.285 6.359 -8.163 1.00 0.00 O ATOM 541 CB GLU A 36 12.200 8.309 -5.800 1.00 0.00 C ATOM 542 CG GLU A 36 13.326 9.271 -6.189 1.00 0.00 C ATOM 543 CD GLU A 36 14.216 9.531 -4.974 1.00 0.00 C ATOM 544 OE1 GLU A 36 13.799 10.282 -4.107 1.00 0.00 O ATOM 545 OE2 GLU A 36 15.302 8.977 -4.930 1.00 0.00 O ATOM 0 H GLU A 36 10.365 6.333 -6.279 1.00 0.00 H new ATOM 0 HA GLU A 36 10.845 9.134 -7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.671 8.687 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.615 7.339 -5.527 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.916 8.847 -7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.908 10.209 -6.554 1.00 0.00 H new ATOM 552 N SER A 37 12.237 8.306 -9.178 1.00 0.00 N ATOM 553 CA SER A 37 12.951 7.757 -10.365 1.00 0.00 C ATOM 554 C SER A 37 14.346 8.379 -10.453 1.00 0.00 C ATOM 555 O SER A 37 14.710 9.223 -9.659 1.00 0.00 O ATOM 556 CB SER A 37 12.164 8.087 -11.633 1.00 0.00 C ATOM 557 OG SER A 37 10.867 7.512 -11.544 1.00 0.00 O ATOM 0 H SER A 37 11.995 9.295 -9.236 1.00 0.00 H new ATOM 0 HA SER A 37 13.041 6.675 -10.266 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.088 9.167 -11.757 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.686 7.702 -12.509 1.00 0.00 H new ATOM 0 HG SER A 37 10.359 7.723 -12.355 1.00 0.00 H new ATOM 563 N ALA A 38 15.128 7.970 -11.414 1.00 0.00 N ATOM 564 CA ALA A 38 16.499 8.539 -11.550 1.00 0.00 C ATOM 565 C ALA A 38 16.417 9.920 -12.208 1.00 0.00 C ATOM 566 O ALA A 38 17.417 10.583 -12.404 1.00 0.00 O ATOM 567 CB ALA A 38 17.351 7.611 -12.419 1.00 0.00 C ATOM 0 H ALA A 38 14.878 7.268 -12.110 1.00 0.00 H new ATOM 0 HA ALA A 38 16.953 8.633 -10.563 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.354 8.026 -12.519 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.410 6.628 -11.952 1.00 0.00 H new ATOM 0 HB3 ALA A 38 16.897 7.517 -13.405 1.00 0.00 H new ATOM 573 N LYS A 39 15.236 10.359 -12.549 1.00 0.00 N ATOM 574 CA LYS A 39 15.099 11.697 -13.193 1.00 0.00 C ATOM 575 C LYS A 39 14.127 12.558 -12.384 1.00 0.00 C ATOM 576 O LYS A 39 14.226 13.769 -12.364 1.00 0.00 O ATOM 577 CB LYS A 39 14.563 11.524 -14.616 1.00 0.00 C ATOM 578 CG LYS A 39 14.771 12.822 -15.401 1.00 0.00 C ATOM 579 CD LYS A 39 13.789 12.874 -16.573 1.00 0.00 C ATOM 580 CE LYS A 39 13.694 14.308 -17.096 1.00 0.00 C ATOM 581 NZ LYS A 39 15.064 14.836 -17.351 1.00 0.00 N ATOM 0 H LYS A 39 14.362 9.851 -12.410 1.00 0.00 H new ATOM 0 HA LYS A 39 16.073 12.185 -13.227 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.077 10.700 -15.112 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.504 11.269 -14.589 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.620 13.682 -14.748 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.796 12.877 -15.769 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.120 12.207 -17.369 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.807 12.526 -16.254 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.106 14.333 -18.014 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.179 14.938 -16.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.006 15.665 -17.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.503 15.112 -16.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.641 14.100 -17.805 1.00 0.00 H new ATOM 595 N ALA A 40 13.187 11.947 -11.716 1.00 0.00 N ATOM 596 CA ALA A 40 12.213 12.735 -10.912 1.00 0.00 C ATOM 597 C ALA A 40 11.251 11.784 -10.198 1.00 0.00 C ATOM 598 O ALA A 40 11.154 10.620 -10.531 1.00 0.00 O ATOM 599 CB ALA A 40 11.420 13.662 -11.835 1.00 0.00 C ATOM 0 H ALA A 40 13.052 10.936 -11.693 1.00 0.00 H new ATOM 0 HA ALA A 40 12.751 13.330 -10.174 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.707 14.239 -11.246 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.104 14.341 -12.344 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.883 13.067 -12.574 1.00 0.00 H new ATOM 605 N SER A 41 10.539 12.270 -9.217 1.00 0.00 N ATOM 606 CA SER A 41 9.586 11.391 -8.484 1.00 0.00 C ATOM 607 C SER A 41 8.241 11.374 -9.215 1.00 0.00 C ATOM 608 O SER A 41 7.542 12.366 -9.272 1.00 0.00 O ATOM 609 CB SER A 41 9.387 11.928 -7.067 1.00 0.00 C ATOM 610 OG SER A 41 8.135 11.478 -6.565 1.00 0.00 O ATOM 0 H SER A 41 10.577 13.236 -8.893 1.00 0.00 H new ATOM 0 HA SER A 41 9.987 10.379 -8.438 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.195 11.587 -6.420 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.420 13.017 -7.071 1.00 0.00 H new ATOM 0 HG SER A 41 8.105 10.499 -6.592 1.00 0.00 H new ATOM 616 N MET A 42 7.875 10.254 -9.774 1.00 0.00 N ATOM 617 CA MET A 42 6.576 10.174 -10.501 1.00 0.00 C ATOM 618 C MET A 42 5.490 9.673 -9.546 1.00 0.00 C ATOM 619 O MET A 42 5.690 8.736 -8.799 1.00 0.00 O ATOM 620 CB MET A 42 6.709 9.204 -11.677 1.00 0.00 C ATOM 621 CG MET A 42 6.905 7.782 -11.148 1.00 0.00 C ATOM 622 SD MET A 42 5.399 6.819 -11.432 1.00 0.00 S ATOM 623 CE MET A 42 5.672 6.481 -13.189 1.00 0.00 C ATOM 0 H MET A 42 8.418 9.391 -9.759 1.00 0.00 H new ATOM 0 HA MET A 42 6.305 11.162 -10.874 1.00 0.00 H new ATOM 0 HB2 MET A 42 5.818 9.251 -12.303 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.554 9.490 -12.304 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.751 7.310 -11.648 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.138 7.808 -10.083 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.883 5.828 -13.561 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.660 7.418 -13.746 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.638 5.994 -13.320 1.00 0.00 H new ATOM 633 N GLU A 43 4.341 10.291 -9.564 1.00 0.00 N ATOM 634 CA GLU A 43 3.243 9.850 -8.657 1.00 0.00 C ATOM 635 C GLU A 43 2.473 8.700 -9.307 1.00 0.00 C ATOM 636 O GLU A 43 2.507 8.516 -10.507 1.00 0.00 O ATOM 637 CB GLU A 43 2.292 11.022 -8.401 1.00 0.00 C ATOM 638 CG GLU A 43 1.848 11.621 -9.737 1.00 0.00 C ATOM 639 CD GLU A 43 2.183 13.113 -9.764 1.00 0.00 C ATOM 640 OE1 GLU A 43 3.069 13.515 -9.027 1.00 0.00 O ATOM 641 OE2 GLU A 43 1.548 13.829 -10.521 1.00 0.00 O ATOM 0 H GLU A 43 4.115 11.082 -10.167 1.00 0.00 H new ATOM 0 HA GLU A 43 3.667 9.512 -7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.424 10.683 -7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.788 11.782 -7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.347 11.110 -10.560 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.777 11.476 -9.875 1.00 0.00 H new ATOM 648 N VAL A 44 1.776 7.923 -8.523 1.00 0.00 N ATOM 649 CA VAL A 44 1.003 6.785 -9.095 1.00 0.00 C ATOM 650 C VAL A 44 -0.381 6.733 -8.436 1.00 0.00 C ATOM 651 O VAL A 44 -0.506 6.313 -7.304 1.00 0.00 O ATOM 652 CB VAL A 44 1.745 5.477 -8.817 1.00 0.00 C ATOM 653 CG1 VAL A 44 0.973 4.310 -9.433 1.00 0.00 C ATOM 654 CG2 VAL A 44 3.144 5.545 -9.435 1.00 0.00 C ATOM 0 H VAL A 44 1.709 8.028 -7.511 1.00 0.00 H new ATOM 0 HA VAL A 44 0.893 6.921 -10.171 1.00 0.00 H new ATOM 0 HB VAL A 44 1.828 5.328 -7.740 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.503 3.378 -9.234 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.024 4.261 -8.995 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.889 4.457 -10.510 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.675 4.613 -9.238 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.059 5.694 -10.512 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.696 6.376 -8.996 1.00 0.00 H new ATOM 664 N PRO A 45 -1.383 7.163 -9.165 1.00 0.00 N ATOM 665 CA PRO A 45 -2.769 7.178 -8.670 1.00 0.00 C ATOM 666 C PRO A 45 -3.369 5.771 -8.710 1.00 0.00 C ATOM 667 O PRO A 45 -2.676 4.794 -8.916 1.00 0.00 O ATOM 668 CB PRO A 45 -3.493 8.107 -9.649 1.00 0.00 C ATOM 669 CG PRO A 45 -2.647 8.116 -10.942 1.00 0.00 C ATOM 670 CD PRO A 45 -1.228 7.671 -10.543 1.00 0.00 C ATOM 0 HA PRO A 45 -2.848 7.512 -7.635 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.504 7.751 -9.848 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.584 9.112 -9.237 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.070 7.441 -11.686 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.630 9.111 -11.387 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.850 6.898 -11.212 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -0.523 8.502 -10.585 1.00 0.00 H new ATOM 678 N SER A 46 -4.652 5.662 -8.514 1.00 0.00 N ATOM 679 CA SER A 46 -5.302 4.322 -8.539 1.00 0.00 C ATOM 680 C SER A 46 -5.650 3.948 -9.985 1.00 0.00 C ATOM 681 O SER A 46 -6.427 4.630 -10.624 1.00 0.00 O ATOM 682 CB SER A 46 -6.584 4.367 -7.706 1.00 0.00 C ATOM 683 OG SER A 46 -7.358 3.204 -7.973 1.00 0.00 O ATOM 0 H SER A 46 -5.281 6.445 -8.337 1.00 0.00 H new ATOM 0 HA SER A 46 -4.620 3.579 -8.125 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.340 4.420 -6.645 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.157 5.263 -7.947 1.00 0.00 H new ATOM 0 HG SER A 46 -8.234 3.468 -8.323 1.00 0.00 H new ATOM 689 N PRO A 47 -5.069 2.874 -10.463 1.00 0.00 N ATOM 690 CA PRO A 47 -5.310 2.392 -11.834 1.00 0.00 C ATOM 691 C PRO A 47 -6.654 1.661 -11.913 1.00 0.00 C ATOM 692 O PRO A 47 -7.030 1.139 -12.943 1.00 0.00 O ATOM 693 CB PRO A 47 -4.147 1.428 -12.086 1.00 0.00 C ATOM 694 CG PRO A 47 -3.643 0.980 -10.694 1.00 0.00 C ATOM 695 CD PRO A 47 -4.125 2.044 -9.689 1.00 0.00 C ATOM 0 HA PRO A 47 -5.357 3.195 -12.570 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.473 0.571 -12.675 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.352 1.917 -12.648 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.038 -0.003 -10.437 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.556 0.900 -10.683 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.611 1.586 -8.828 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.294 2.637 -9.308 1.00 0.00 H new ATOM 703 N LYS A 48 -7.381 1.622 -10.829 1.00 0.00 N ATOM 704 CA LYS A 48 -8.699 0.927 -10.837 1.00 0.00 C ATOM 705 C LYS A 48 -9.551 1.439 -9.674 1.00 0.00 C ATOM 706 O LYS A 48 -9.071 1.619 -8.573 1.00 0.00 O ATOM 707 CB LYS A 48 -8.482 -0.580 -10.688 1.00 0.00 C ATOM 708 CG LYS A 48 -7.731 -1.112 -11.910 1.00 0.00 C ATOM 709 CD LYS A 48 -7.716 -2.641 -11.875 1.00 0.00 C ATOM 710 CE LYS A 48 -6.740 -3.117 -10.798 1.00 0.00 C ATOM 711 NZ LYS A 48 -5.453 -3.513 -11.436 1.00 0.00 N ATOM 0 H LYS A 48 -7.118 2.042 -9.938 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.211 1.128 -11.778 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.915 -0.788 -9.781 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.441 -1.088 -10.588 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.211 -0.763 -12.825 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.711 -0.728 -11.919 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.717 -3.020 -11.667 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.421 -3.035 -12.848 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.569 -2.324 -10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.164 -3.961 -10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.979 -4.228 -10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.641 -3.910 -12.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.840 -2.678 -11.528 1.00 0.00 H new ATOM 725 N ALA A 49 -10.812 1.675 -9.909 1.00 0.00 N ATOM 726 CA ALA A 49 -11.693 2.176 -8.816 1.00 0.00 C ATOM 727 C ALA A 49 -12.147 1.002 -7.946 1.00 0.00 C ATOM 728 O ALA A 49 -12.938 0.179 -8.360 1.00 0.00 O ATOM 729 CB ALA A 49 -12.918 2.864 -9.422 1.00 0.00 C ATOM 0 H ALA A 49 -11.271 1.543 -10.810 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.141 2.889 -8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -13.562 3.230 -8.623 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -12.596 3.701 -10.041 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.470 2.151 -10.035 1.00 0.00 H new ATOM 735 N GLY A 50 -11.650 0.917 -6.741 1.00 0.00 N ATOM 736 CA GLY A 50 -12.053 -0.204 -5.846 1.00 0.00 C ATOM 737 C GLY A 50 -11.692 0.142 -4.400 1.00 0.00 C ATOM 738 O GLY A 50 -11.259 1.238 -4.103 1.00 0.00 O ATOM 0 H GLY A 50 -10.983 1.575 -6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.125 -0.384 -5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.550 -1.123 -6.148 1.00 0.00 H new ATOM 742 N VAL A 51 -11.866 -0.785 -3.497 1.00 0.00 N ATOM 743 CA VAL A 51 -11.531 -0.508 -2.072 1.00 0.00 C ATOM 744 C VAL A 51 -10.210 -1.193 -1.716 1.00 0.00 C ATOM 745 O VAL A 51 -10.022 -2.367 -1.964 1.00 0.00 O ATOM 746 CB VAL A 51 -12.645 -1.049 -1.173 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.597 -2.578 -1.164 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.447 -0.526 0.251 1.00 0.00 C ATOM 0 H VAL A 51 -12.225 -1.721 -3.685 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.434 0.567 -1.923 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.612 -0.718 -1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.391 -2.963 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.735 -2.952 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.631 -2.909 -0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.240 -0.910 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.480 -0.858 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.480 0.563 0.246 1.00 0.00 H new ATOM 758 N VAL A 52 -9.293 -0.467 -1.138 1.00 0.00 N ATOM 759 CA VAL A 52 -7.985 -1.077 -0.767 1.00 0.00 C ATOM 760 C VAL A 52 -8.226 -2.310 0.106 1.00 0.00 C ATOM 761 O VAL A 52 -9.049 -2.298 1.000 1.00 0.00 O ATOM 762 CB VAL A 52 -7.149 -0.058 0.009 1.00 0.00 C ATOM 763 CG1 VAL A 52 -5.765 -0.643 0.291 1.00 0.00 C ATOM 764 CG2 VAL A 52 -7.002 1.219 -0.823 1.00 0.00 C ATOM 0 H VAL A 52 -9.393 0.521 -0.907 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.452 -1.371 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.644 0.176 0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.169 0.083 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.868 -1.553 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.270 -0.876 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.406 1.946 -0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.507 0.984 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.988 1.637 -1.026 1.00 0.00 H new ATOM 774 N LYS A 53 -7.515 -3.375 -0.145 1.00 0.00 N ATOM 775 CA LYS A 53 -7.704 -4.607 0.671 1.00 0.00 C ATOM 776 C LYS A 53 -6.548 -4.744 1.663 1.00 0.00 C ATOM 777 O LYS A 53 -6.752 -4.944 2.845 1.00 0.00 O ATOM 778 CB LYS A 53 -7.736 -5.829 -0.249 1.00 0.00 C ATOM 779 CG LYS A 53 -8.700 -6.872 0.319 1.00 0.00 C ATOM 780 CD LYS A 53 -8.204 -8.275 -0.036 1.00 0.00 C ATOM 781 CE LYS A 53 -9.190 -9.315 0.496 1.00 0.00 C ATOM 782 NZ LYS A 53 -9.344 -9.146 1.969 1.00 0.00 N ATOM 0 H LYS A 53 -6.811 -3.445 -0.880 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.645 -4.540 1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.051 -5.535 -1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.737 -6.254 -0.341 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.773 -6.764 1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.700 -6.716 -0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.103 -8.374 -1.117 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.216 -8.442 0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.156 -9.202 0.003 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.833 -10.320 0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.739 -10.016 2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.415 -8.953 2.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.985 -8.350 2.162 1.00 0.00 H new ATOM 796 N SER A 54 -5.336 -4.639 1.194 1.00 0.00 N ATOM 797 CA SER A 54 -4.167 -4.764 2.111 1.00 0.00 C ATOM 798 C SER A 54 -2.912 -4.240 1.412 1.00 0.00 C ATOM 799 O SER A 54 -2.905 -4.003 0.220 1.00 0.00 O ATOM 800 CB SER A 54 -3.968 -6.233 2.484 1.00 0.00 C ATOM 801 OG SER A 54 -3.131 -6.854 1.517 1.00 0.00 O ATOM 0 H SER A 54 -5.104 -4.472 0.215 1.00 0.00 H new ATOM 0 HA SER A 54 -4.349 -4.181 3.014 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.519 -6.311 3.474 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.931 -6.742 2.529 1.00 0.00 H new ATOM 0 HG SER A 54 -3.000 -7.796 1.754 1.00 0.00 H new ATOM 807 N VAL A 55 -1.847 -4.056 2.144 1.00 0.00 N ATOM 808 CA VAL A 55 -0.593 -3.547 1.522 1.00 0.00 C ATOM 809 C VAL A 55 0.488 -4.628 1.596 1.00 0.00 C ATOM 810 O VAL A 55 0.909 -5.027 2.663 1.00 0.00 O ATOM 811 CB VAL A 55 -0.119 -2.301 2.272 1.00 0.00 C ATOM 812 CG1 VAL A 55 1.057 -1.670 1.524 1.00 0.00 C ATOM 813 CG2 VAL A 55 -1.267 -1.292 2.357 1.00 0.00 C ATOM 0 H VAL A 55 -1.792 -4.236 3.146 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.783 -3.292 0.479 1.00 0.00 H new ATOM 0 HB VAL A 55 0.198 -2.581 3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.394 -0.782 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.875 -2.388 1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.741 -1.390 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.931 -0.403 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.582 -1.014 1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.106 -1.740 2.889 1.00 0.00 H new ATOM 823 N SER A 56 0.941 -5.106 0.469 1.00 0.00 N ATOM 824 CA SER A 56 1.993 -6.160 0.476 1.00 0.00 C ATOM 825 C SER A 56 3.373 -5.503 0.539 1.00 0.00 C ATOM 826 O SER A 56 4.386 -6.142 0.332 1.00 0.00 O ATOM 827 CB SER A 56 1.884 -6.998 -0.799 1.00 0.00 C ATOM 828 OG SER A 56 2.529 -8.249 -0.595 1.00 0.00 O ATOM 0 H SER A 56 0.628 -4.812 -0.456 1.00 0.00 H new ATOM 0 HA SER A 56 1.857 -6.803 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.837 -7.154 -1.057 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.344 -6.471 -1.635 1.00 0.00 H new ATOM 0 HG SER A 56 3.416 -8.100 -0.205 1.00 0.00 H new ATOM 834 N VAL A 57 3.423 -4.230 0.821 1.00 0.00 N ATOM 835 CA VAL A 57 4.738 -3.533 0.895 1.00 0.00 C ATOM 836 C VAL A 57 4.736 -2.564 2.080 1.00 0.00 C ATOM 837 O VAL A 57 3.793 -2.502 2.842 1.00 0.00 O ATOM 838 CB VAL A 57 4.976 -2.755 -0.399 1.00 0.00 C ATOM 839 CG1 VAL A 57 5.029 -3.727 -1.579 1.00 0.00 C ATOM 840 CG2 VAL A 57 3.833 -1.759 -0.611 1.00 0.00 C ATOM 0 H VAL A 57 2.610 -3.642 1.003 1.00 0.00 H new ATOM 0 HA VAL A 57 5.532 -4.268 1.028 1.00 0.00 H new ATOM 0 HB VAL A 57 5.921 -2.217 -0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.199 -3.171 -2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.842 -4.438 -1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.084 -4.266 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.001 -1.203 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.888 -2.298 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.795 -1.065 0.229 1.00 0.00 H new ATOM 850 N LYS A 58 5.787 -1.808 2.238 1.00 0.00 N ATOM 851 CA LYS A 58 5.846 -0.842 3.372 1.00 0.00 C ATOM 852 C LYS A 58 6.107 0.565 2.829 1.00 0.00 C ATOM 853 O LYS A 58 6.738 0.738 1.806 1.00 0.00 O ATOM 854 CB LYS A 58 6.977 -1.240 4.323 1.00 0.00 C ATOM 855 CG LYS A 58 6.543 -0.984 5.768 1.00 0.00 C ATOM 856 CD LYS A 58 7.766 -0.619 6.611 1.00 0.00 C ATOM 857 CE LYS A 58 8.490 -1.896 7.041 1.00 0.00 C ATOM 858 NZ LYS A 58 9.949 -1.620 7.170 1.00 0.00 N ATOM 0 H LYS A 58 6.607 -1.817 1.632 1.00 0.00 H new ATOM 0 HA LYS A 58 4.898 -0.854 3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.226 -2.292 4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.876 -0.668 4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.811 -0.177 5.802 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.058 -1.871 6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.439 0.018 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.459 -0.049 7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.091 -2.251 7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.322 -2.686 6.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.412 -2.417 7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.364 -1.499 6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.090 -0.751 7.724 1.00 0.00 H new ATOM 872 N LEU A 59 5.625 1.571 3.506 1.00 0.00 N ATOM 873 CA LEU A 59 5.845 2.964 3.026 1.00 0.00 C ATOM 874 C LEU A 59 7.237 3.437 3.451 1.00 0.00 C ATOM 875 O LEU A 59 7.693 3.154 4.540 1.00 0.00 O ATOM 876 CB LEU A 59 4.787 3.886 3.635 1.00 0.00 C ATOM 877 CG LEU A 59 5.027 4.018 5.140 1.00 0.00 C ATOM 878 CD1 LEU A 59 5.546 5.422 5.453 1.00 0.00 C ATOM 879 CD2 LEU A 59 3.714 3.781 5.888 1.00 0.00 C ATOM 0 H LEU A 59 5.089 1.488 4.370 1.00 0.00 H new ATOM 0 HA LEU A 59 5.768 2.989 1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.829 4.867 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.790 3.485 3.449 1.00 0.00 H new ATOM 0 HG LEU A 59 5.764 3.280 5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.717 5.516 6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.482 5.591 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.810 6.161 5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.884 3.875 6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.977 4.519 5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.344 2.780 5.666 1.00 0.00 H new ATOM 891 N GLY A 60 7.915 4.157 2.598 1.00 0.00 N ATOM 892 CA GLY A 60 9.276 4.649 2.953 1.00 0.00 C ATOM 893 C GLY A 60 10.310 3.565 2.641 1.00 0.00 C ATOM 894 O GLY A 60 11.501 3.800 2.680 1.00 0.00 O ATOM 0 H GLY A 60 7.585 4.425 1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.504 5.556 2.392 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.315 4.910 4.011 1.00 0.00 H new ATOM 898 N ASP A 61 9.864 2.378 2.331 1.00 0.00 N ATOM 899 CA ASP A 61 10.823 1.281 2.017 1.00 0.00 C ATOM 900 C ASP A 61 11.220 1.355 0.542 1.00 0.00 C ATOM 901 O ASP A 61 10.569 2.002 -0.256 1.00 0.00 O ATOM 902 CB ASP A 61 10.162 -0.069 2.299 1.00 0.00 C ATOM 903 CG ASP A 61 10.409 -0.463 3.757 1.00 0.00 C ATOM 904 OD1 ASP A 61 11.099 0.274 4.440 1.00 0.00 O ATOM 905 OD2 ASP A 61 9.901 -1.495 4.165 1.00 0.00 O ATOM 0 H ASP A 61 8.878 2.121 2.282 1.00 0.00 H new ATOM 0 HA ASP A 61 11.713 1.388 2.638 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.091 -0.010 2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.566 -0.830 1.632 1.00 0.00 H new ATOM 910 N LYS A 62 12.284 0.697 0.171 1.00 0.00 N ATOM 911 CA LYS A 62 12.722 0.730 -1.253 1.00 0.00 C ATOM 912 C LYS A 62 12.059 -0.418 -2.015 1.00 0.00 C ATOM 913 O LYS A 62 11.728 -1.442 -1.450 1.00 0.00 O ATOM 914 CB LYS A 62 14.243 0.576 -1.322 1.00 0.00 C ATOM 915 CG LYS A 62 14.645 -0.790 -0.763 1.00 0.00 C ATOM 916 CD LYS A 62 15.453 -1.554 -1.814 1.00 0.00 C ATOM 917 CE LYS A 62 14.635 -2.743 -2.322 1.00 0.00 C ATOM 918 NZ LYS A 62 15.172 -3.188 -3.639 1.00 0.00 N ATOM 0 H LYS A 62 12.869 0.138 0.792 1.00 0.00 H new ATOM 0 HA LYS A 62 12.432 1.680 -1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.582 0.673 -2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.726 1.370 -0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.236 -0.664 0.144 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.756 -1.358 -0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.708 -0.894 -2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.392 -1.902 -1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.679 -3.562 -1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.587 -2.461 -2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.617 -3.996 -3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.108 -2.406 -4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.166 -3.473 -3.530 1.00 0.00 H new ATOM 932 N LEU A 63 11.861 -0.258 -3.295 1.00 0.00 N ATOM 933 CA LEU A 63 11.218 -1.342 -4.091 1.00 0.00 C ATOM 934 C LEU A 63 11.765 -1.315 -5.519 1.00 0.00 C ATOM 935 O LEU A 63 12.698 -0.600 -5.823 1.00 0.00 O ATOM 936 CB LEU A 63 9.703 -1.125 -4.119 1.00 0.00 C ATOM 937 CG LEU A 63 9.048 -1.956 -3.015 1.00 0.00 C ATOM 938 CD1 LEU A 63 7.590 -1.526 -2.849 1.00 0.00 C ATOM 939 CD2 LEU A 63 9.102 -3.438 -3.394 1.00 0.00 C ATOM 0 H LEU A 63 12.116 0.576 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 63 11.437 -2.308 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.474 -0.069 -3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.302 -1.412 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 63 9.581 -1.800 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.123 -2.118 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.550 -0.470 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.056 -1.682 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.635 -4.032 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.568 -3.593 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.141 -3.746 -3.513 1.00 0.00 H new ATOM 951 N LYS A 64 11.192 -2.090 -6.398 1.00 0.00 N ATOM 952 CA LYS A 64 11.681 -2.105 -7.805 1.00 0.00 C ATOM 953 C LYS A 64 10.496 -1.934 -8.756 1.00 0.00 C ATOM 954 O LYS A 64 9.700 -2.834 -8.933 1.00 0.00 O ATOM 955 CB LYS A 64 12.374 -3.440 -8.087 1.00 0.00 C ATOM 956 CG LYS A 64 13.732 -3.181 -8.744 1.00 0.00 C ATOM 957 CD LYS A 64 14.256 -4.479 -9.363 1.00 0.00 C ATOM 958 CE LYS A 64 14.272 -4.347 -10.887 1.00 0.00 C ATOM 959 NZ LYS A 64 13.031 -4.949 -11.451 1.00 0.00 N ATOM 0 H LYS A 64 10.408 -2.712 -6.203 1.00 0.00 H new ATOM 0 HA LYS A 64 12.388 -1.289 -7.955 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.507 -3.996 -7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.753 -4.053 -8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.636 -2.413 -9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.440 -2.807 -8.005 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.260 -4.691 -8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.625 -5.317 -9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.341 -3.297 -11.171 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.150 -4.846 -11.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.042 -4.859 -12.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.984 -5.955 -11.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.200 -4.453 -11.069 1.00 0.00 H new ATOM 973 N GLU A 65 10.373 -0.785 -9.366 1.00 0.00 N ATOM 974 CA GLU A 65 9.241 -0.554 -10.303 1.00 0.00 C ATOM 975 C GLU A 65 9.032 -1.799 -11.167 1.00 0.00 C ATOM 976 O GLU A 65 9.689 -1.996 -12.169 1.00 0.00 O ATOM 977 CB GLU A 65 9.554 0.648 -11.193 1.00 0.00 C ATOM 978 CG GLU A 65 8.677 1.828 -10.774 1.00 0.00 C ATOM 979 CD GLU A 65 9.466 3.131 -10.921 1.00 0.00 C ATOM 980 OE1 GLU A 65 10.217 3.451 -10.014 1.00 0.00 O ATOM 981 OE2 GLU A 65 9.304 3.787 -11.936 1.00 0.00 O ATOM 0 H GLU A 65 11.010 0.004 -9.254 1.00 0.00 H new ATOM 0 HA GLU A 65 8.332 -0.354 -9.736 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.607 0.914 -11.107 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.373 0.398 -12.238 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.779 1.863 -11.390 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.351 1.703 -9.742 1.00 0.00 H new ATOM 988 N GLY A 66 8.123 -2.645 -10.774 1.00 0.00 N ATOM 989 CA GLY A 66 7.862 -3.888 -11.551 1.00 0.00 C ATOM 990 C GLY A 66 7.205 -4.922 -10.635 1.00 0.00 C ATOM 991 O GLY A 66 6.574 -5.857 -11.087 1.00 0.00 O ATOM 0 H GLY A 66 7.545 -2.528 -9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.213 -3.672 -12.400 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.795 -4.282 -11.955 1.00 0.00 H new ATOM 995 N ASP A 67 7.348 -4.757 -9.346 1.00 0.00 N ATOM 996 CA ASP A 67 6.734 -5.721 -8.394 1.00 0.00 C ATOM 997 C ASP A 67 5.281 -5.321 -8.128 1.00 0.00 C ATOM 998 O ASP A 67 4.761 -4.403 -8.730 1.00 0.00 O ATOM 999 CB ASP A 67 7.518 -5.706 -7.079 1.00 0.00 C ATOM 1000 CG ASP A 67 8.638 -6.746 -7.141 1.00 0.00 C ATOM 1001 OD1 ASP A 67 8.650 -7.520 -8.085 1.00 0.00 O ATOM 1002 OD2 ASP A 67 9.465 -6.753 -6.244 1.00 0.00 O ATOM 0 H ASP A 67 7.866 -3.992 -8.913 1.00 0.00 H new ATOM 0 HA ASP A 67 6.761 -6.723 -8.822 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.937 -4.715 -6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.852 -5.922 -6.244 1.00 0.00 H new ATOM 1007 N ALA A 68 4.621 -6.002 -7.232 1.00 0.00 N ATOM 1008 CA ALA A 68 3.203 -5.660 -6.929 1.00 0.00 C ATOM 1009 C ALA A 68 3.159 -4.497 -5.935 1.00 0.00 C ATOM 1010 O ALA A 68 4.178 -4.014 -5.484 1.00 0.00 O ATOM 1011 CB ALA A 68 2.503 -6.876 -6.321 1.00 0.00 C ATOM 0 H ALA A 68 5.003 -6.781 -6.696 1.00 0.00 H new ATOM 0 HA ALA A 68 2.695 -5.371 -7.849 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.466 -6.626 -6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.533 -7.705 -7.029 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.011 -7.166 -5.401 1.00 0.00 H new ATOM 1017 N ILE A 69 1.984 -4.044 -5.590 1.00 0.00 N ATOM 1018 CA ILE A 69 1.875 -2.914 -4.625 1.00 0.00 C ATOM 1019 C ILE A 69 0.768 -3.213 -3.612 1.00 0.00 C ATOM 1020 O ILE A 69 1.014 -3.338 -2.428 1.00 0.00 O ATOM 1021 CB ILE A 69 1.539 -1.628 -5.382 1.00 0.00 C ATOM 1022 CG1 ILE A 69 2.570 -1.406 -6.490 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.570 -0.443 -4.414 1.00 0.00 C ATOM 1024 CD1 ILE A 69 1.861 -1.363 -7.845 1.00 0.00 C ATOM 0 H ILE A 69 1.096 -4.408 -5.935 1.00 0.00 H new ATOM 0 HA ILE A 69 2.823 -2.791 -4.101 1.00 0.00 H new ATOM 0 HB ILE A 69 0.545 -1.714 -5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.108 -0.474 -6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.309 -2.207 -6.480 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.331 0.474 -4.953 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.837 -0.600 -3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.564 -0.357 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.595 -1.205 -8.635 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.343 -2.307 -8.015 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.139 -0.547 -7.852 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.449 -3.328 -4.066 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.569 -3.619 -3.128 1.00 0.00 C ATOM 1038 C ILE A 70 -2.643 -4.435 -3.850 1.00 0.00 C ATOM 1039 O ILE A 70 -2.460 -4.862 -4.973 1.00 0.00 O ATOM 1040 CB ILE A 70 -2.176 -2.304 -2.635 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.383 -1.363 -3.823 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.231 -1.650 -1.626 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -3.097 -0.094 -3.352 1.00 0.00 C ATOM 0 H ILE A 70 -0.716 -3.233 -5.046 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.191 -4.188 -2.278 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.135 -2.504 -2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.422 -1.108 -4.270 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.972 -1.859 -4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.665 -0.713 -1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.082 -2.320 -0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.272 -1.450 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.244 0.576 -4.199 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.065 -0.358 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.491 0.405 -2.596 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.761 -4.658 -3.215 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.843 -5.447 -3.866 1.00 0.00 C ATOM 1057 C GLU A 71 -6.158 -4.669 -3.788 1.00 0.00 C ATOM 1058 O GLU A 71 -6.748 -4.531 -2.735 1.00 0.00 O ATOM 1059 CB GLU A 71 -5.000 -6.789 -3.146 1.00 0.00 C ATOM 1060 CG GLU A 71 -3.626 -7.288 -2.694 1.00 0.00 C ATOM 1061 CD GLU A 71 -3.728 -8.756 -2.273 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -4.781 -9.338 -2.479 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -2.753 -9.273 -1.754 1.00 0.00 O ATOM 0 H GLU A 71 -3.971 -4.328 -2.273 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.586 -5.623 -4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.660 -6.677 -2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.463 -7.518 -3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.904 -7.180 -3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.264 -6.684 -1.862 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.623 -4.161 -4.896 1.00 0.00 N ATOM 1071 CA LEU A 72 -7.900 -3.393 -4.886 1.00 0.00 C ATOM 1072 C LEU A 72 -9.070 -4.347 -5.134 1.00 0.00 C ATOM 1073 O LEU A 72 -8.989 -5.245 -5.948 1.00 0.00 O ATOM 1074 CB LEU A 72 -7.865 -2.331 -5.988 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.264 -1.744 -6.178 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.163 -0.226 -6.336 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -9.900 -2.344 -7.434 1.00 0.00 C ATOM 0 H LEU A 72 -6.174 -4.245 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.025 -2.908 -3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.161 -1.542 -5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.515 -2.772 -6.921 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.878 -1.979 -5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.160 0.193 -6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.707 0.203 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.549 0.009 -7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.898 -1.927 -7.571 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.285 -2.107 -8.302 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.971 -3.426 -7.324 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.158 -4.163 -4.437 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.330 -5.062 -4.633 1.00 0.00 C ATOM 1091 C GLU A 73 -12.489 -4.268 -5.246 1.00 0.00 C ATOM 1092 O GLU A 73 -13.282 -3.684 -4.534 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.764 -5.636 -3.282 1.00 0.00 C ATOM 1094 CG GLU A 73 -13.037 -6.465 -3.464 1.00 0.00 C ATOM 1095 CD GLU A 73 -13.056 -7.603 -2.441 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -11.990 -8.091 -2.108 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -14.139 -7.966 -2.010 1.00 0.00 O ATOM 0 H GLU A 73 -10.286 -3.429 -3.740 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.054 -5.876 -5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.970 -6.256 -2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.942 -4.828 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.916 -5.833 -3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.078 -6.870 -4.475 1.00 0.00 H new ATOM 1104 N PRO A 74 -12.548 -4.274 -6.552 1.00 0.00 N ATOM 1105 CA PRO A 74 -13.599 -3.562 -7.302 1.00 0.00 C ATOM 1106 C PRO A 74 -14.905 -4.362 -7.278 1.00 0.00 C ATOM 1107 O PRO A 74 -14.924 -5.546 -7.547 1.00 0.00 O ATOM 1108 CB PRO A 74 -13.034 -3.482 -8.723 1.00 0.00 C ATOM 1109 CG PRO A 74 -11.989 -4.617 -8.841 1.00 0.00 C ATOM 1110 CD PRO A 74 -11.576 -4.989 -7.404 1.00 0.00 C ATOM 0 HA PRO A 74 -13.835 -2.582 -6.887 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.825 -3.604 -9.463 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.574 -2.510 -8.904 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.411 -5.479 -9.358 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.125 -4.289 -9.419 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.621 -6.066 -7.243 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.554 -4.677 -7.190 1.00 0.00 H new