USER MOD reduce.3.24.130724 H: found=0, std=0, add=350, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 351 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 94 LYS NZ :NH3+ 166:sc=-0.00208 (180deg=-0.116) USER MOD Single : A 97 LYS NZ :NH3+ -163:sc=-0.00203 (180deg=-0.109) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 SER OG : rot 73:sc= 1.17 USER MOD Single : A 107 GLN : amide:sc= -0.0223 K(o=-0.022,f=-0.86) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 88 -18.432 -27.755 1.352 1.00 0.00 N ATOM 2 CA ILE A 88 -18.631 -26.323 1.534 1.00 0.00 C ATOM 3 C ILE A 88 -17.494 -25.708 2.342 1.00 0.00 C ATOM 4 O ILE A 88 -16.847 -24.759 1.900 1.00 0.00 O ATOM 5 CB ILE A 88 -19.967 -26.025 2.239 1.00 0.00 C ATOM 6 CG1 ILE A 88 -21.131 -26.634 1.453 1.00 0.00 C ATOM 7 CG2 ILE A 88 -20.158 -24.525 2.401 1.00 0.00 C ATOM 8 CD1 ILE A 88 -21.220 -26.140 0.026 1.00 0.00 C ATOM 0 HA ILE A 88 -18.648 -25.878 0.539 1.00 0.00 H new ATOM 0 HB ILE A 88 -19.946 -26.478 3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -21.027 -27.719 1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -22.065 -26.406 1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -21.107 -24.331 2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -19.343 -24.117 2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -20.161 -24.051 1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -22.067 -26.613 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -21.355 -25.058 0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -20.302 -26.392 -0.504 1.00 0.00 H new ATOM 20 N ASP A 89 -17.255 -26.256 3.529 1.00 0.00 N ATOM 21 CA ASP A 89 -16.194 -25.764 4.398 1.00 0.00 C ATOM 22 C ASP A 89 -14.830 -25.920 3.734 1.00 0.00 C ATOM 23 O ASP A 89 -13.950 -25.074 3.892 1.00 0.00 O ATOM 24 CB ASP A 89 -16.213 -26.510 5.734 1.00 0.00 C ATOM 25 CG ASP A 89 -17.591 -26.531 6.366 1.00 0.00 C ATOM 26 OD1 ASP A 89 -17.963 -25.530 7.013 1.00 0.00 O ATOM 27 OD2 ASP A 89 -18.298 -27.549 6.211 1.00 0.00 O ATOM 0 H ASP A 89 -17.782 -27.041 3.911 1.00 0.00 H new ATOM 0 HA ASP A 89 -16.370 -24.704 4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -15.871 -27.534 5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -15.509 -26.039 6.420 1.00 0.00 H new ATOM 32 N VAL A 90 -14.661 -27.008 2.989 1.00 0.00 N ATOM 33 CA VAL A 90 -13.404 -27.275 2.300 1.00 0.00 C ATOM 34 C VAL A 90 -13.074 -26.165 1.310 1.00 0.00 C ATOM 35 O VAL A 90 -11.905 -25.841 1.091 1.00 0.00 O ATOM 36 CB VAL A 90 -13.450 -28.620 1.550 1.00 0.00 C ATOM 37 CG1 VAL A 90 -13.566 -29.776 2.532 1.00 0.00 C ATOM 38 CG2 VAL A 90 -14.602 -28.636 0.557 1.00 0.00 C ATOM 0 H VAL A 90 -15.379 -27.719 2.847 1.00 0.00 H new ATOM 0 HA VAL A 90 -12.627 -27.319 3.064 1.00 0.00 H new ATOM 0 HB VAL A 90 -12.519 -28.739 0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.597 -30.718 1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.705 -29.774 3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -14.479 -29.666 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -14.620 -29.593 0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -15.543 -28.495 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -14.470 -27.831 -0.166 1.00 0.00 H new ATOM 48 N LEU A 91 -14.109 -25.583 0.714 1.00 0.00 N ATOM 49 CA LEU A 91 -13.929 -24.507 -0.254 1.00 0.00 C ATOM 50 C LEU A 91 -13.712 -23.171 0.451 1.00 0.00 C ATOM 51 O LEU A 91 -12.963 -22.320 -0.028 1.00 0.00 O ATOM 52 CB LEU A 91 -15.144 -24.417 -1.178 1.00 0.00 C ATOM 53 CG LEU A 91 -14.844 -24.308 -2.673 1.00 0.00 C ATOM 54 CD1 LEU A 91 -14.176 -25.578 -3.178 1.00 0.00 C ATOM 55 CD2 LEU A 91 -16.119 -24.027 -3.454 1.00 0.00 C ATOM 0 H LEU A 91 -15.082 -25.838 0.884 1.00 0.00 H new ATOM 0 HA LEU A 91 -13.044 -24.731 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -15.765 -25.298 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -15.736 -23.551 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.157 -23.476 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -13.970 -25.482 -4.244 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -13.241 -25.736 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -14.838 -26.428 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -15.886 -23.953 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -16.830 -24.838 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -16.556 -23.089 -3.112 1.00 0.00 H new ATOM 67 N ARG A 92 -14.371 -22.997 1.592 1.00 0.00 N ATOM 68 CA ARG A 92 -14.249 -21.765 2.363 1.00 0.00 C ATOM 69 C ARG A 92 -12.789 -21.477 2.700 1.00 0.00 C ATOM 70 O ARG A 92 -12.381 -20.320 2.798 1.00 0.00 O ATOM 71 CB ARG A 92 -15.072 -21.861 3.649 1.00 0.00 C ATOM 72 CG ARG A 92 -16.210 -20.857 3.721 1.00 0.00 C ATOM 73 CD ARG A 92 -17.455 -21.469 4.343 1.00 0.00 C ATOM 74 NE ARG A 92 -18.560 -20.517 4.407 1.00 0.00 N ATOM 75 CZ ARG A 92 -19.818 -20.865 4.655 1.00 0.00 C ATOM 76 NH1 ARG A 92 -20.128 -22.138 4.861 1.00 0.00 N ATOM 77 NH2 ARG A 92 -20.768 -19.941 4.697 1.00 0.00 N ATOM 0 H ARG A 92 -14.994 -23.692 2.003 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.631 -20.945 1.755 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -15.481 -22.868 3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.413 -21.712 4.504 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -15.897 -19.992 4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -16.442 -20.496 2.719 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -17.760 -22.339 3.762 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -17.222 -21.822 5.348 1.00 0.00 H new ATOM 0 HE ARG A 92 -18.355 -19.530 4.253 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -19.400 -22.852 4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -21.094 -22.403 5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -20.534 -18.961 4.539 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -21.733 -20.210 4.888 1.00 0.00 H new ATOM 91 N ALA A 93 -12.008 -22.537 2.878 1.00 0.00 N ATOM 92 CA ALA A 93 -10.594 -22.398 3.203 1.00 0.00 C ATOM 93 C ALA A 93 -9.860 -21.601 2.129 1.00 0.00 C ATOM 94 O ALA A 93 -9.066 -20.712 2.435 1.00 0.00 O ATOM 95 CB ALA A 93 -9.954 -23.767 3.377 1.00 0.00 C ATOM 0 H ALA A 93 -12.331 -23.502 2.803 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.515 -21.851 4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.898 -23.647 3.619 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.453 -24.302 4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.052 -24.335 2.452 1.00 0.00 H new ATOM 101 N LYS A 94 -10.130 -21.927 0.870 1.00 0.00 N ATOM 102 CA LYS A 94 -9.496 -21.242 -0.251 1.00 0.00 C ATOM 103 C LYS A 94 -9.975 -19.797 -0.347 1.00 0.00 C ATOM 104 O LYS A 94 -9.217 -18.906 -0.730 1.00 0.00 O ATOM 105 CB LYS A 94 -9.795 -21.977 -1.559 1.00 0.00 C ATOM 106 CG LYS A 94 -8.580 -22.659 -2.164 1.00 0.00 C ATOM 107 CD LYS A 94 -8.979 -23.663 -3.233 1.00 0.00 C ATOM 108 CE LYS A 94 -9.302 -22.976 -4.551 1.00 0.00 C ATOM 109 NZ LYS A 94 -8.076 -22.474 -5.230 1.00 0.00 N ATOM 0 H LYS A 94 -10.784 -22.662 0.600 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.419 -21.239 -0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.568 -22.724 -1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.200 -21.267 -2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.918 -21.909 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.018 -23.165 -1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.169 -24.377 -3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.846 -24.230 -2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.820 -23.675 -5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.983 -22.144 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.300 -22.230 -6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.726 -21.629 -4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.344 -23.212 -5.214 1.00 0.00 H new ATOM 123 N ALA A 95 -11.236 -19.572 0.006 1.00 0.00 N ATOM 124 CA ALA A 95 -11.814 -18.234 -0.037 1.00 0.00 C ATOM 125 C ALA A 95 -10.997 -17.256 0.800 1.00 0.00 C ATOM 126 O ALA A 95 -10.904 -16.073 0.474 1.00 0.00 O ATOM 127 CB ALA A 95 -13.257 -18.267 0.445 1.00 0.00 C ATOM 0 H ALA A 95 -11.877 -20.299 0.325 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.796 -17.890 -1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -13.676 -17.262 0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.840 -18.927 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.290 -18.636 1.470 1.00 0.00 H new ATOM 133 N ALA A 96 -10.408 -17.757 1.881 1.00 0.00 N ATOM 134 CA ALA A 96 -9.599 -16.928 2.764 1.00 0.00 C ATOM 135 C ALA A 96 -8.248 -16.609 2.132 1.00 0.00 C ATOM 136 O ALA A 96 -7.813 -15.457 2.119 1.00 0.00 O ATOM 137 CB ALA A 96 -9.406 -17.617 4.106 1.00 0.00 C ATOM 0 H ALA A 96 -10.477 -18.734 2.166 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.128 -15.988 2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.799 -16.986 4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -10.377 -17.788 4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.903 -18.572 3.956 1.00 0.00 H new ATOM 143 N LYS A 97 -7.588 -17.636 1.608 1.00 0.00 N ATOM 144 CA LYS A 97 -6.286 -17.466 0.973 1.00 0.00 C ATOM 145 C LYS A 97 -6.384 -16.530 -0.227 1.00 0.00 C ATOM 146 O LYS A 97 -5.426 -15.836 -0.564 1.00 0.00 O ATOM 147 CB LYS A 97 -5.730 -18.822 0.532 1.00 0.00 C ATOM 148 CG LYS A 97 -4.378 -19.153 1.141 1.00 0.00 C ATOM 149 CD LYS A 97 -4.487 -19.406 2.635 1.00 0.00 C ATOM 150 CE LYS A 97 -3.422 -20.381 3.113 1.00 0.00 C ATOM 151 NZ LYS A 97 -3.713 -21.776 2.683 1.00 0.00 N ATOM 0 H LYS A 97 -7.933 -18.596 1.610 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.609 -17.022 1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.442 -19.602 0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.642 -18.833 -0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.963 -20.034 0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.685 -18.331 0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.387 -18.463 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.476 -19.802 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.450 -20.077 2.724 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.356 -20.343 4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.148 -22.439 3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.724 -21.978 2.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.471 -21.887 1.678 1.00 0.00 H new ATOM 165 N GLU A 98 -7.549 -16.517 -0.868 1.00 0.00 N ATOM 166 CA GLU A 98 -7.771 -15.665 -2.030 1.00 0.00 C ATOM 167 C GLU A 98 -7.848 -14.196 -1.622 1.00 0.00 C ATOM 168 O GLU A 98 -7.268 -13.328 -2.275 1.00 0.00 O ATOM 169 CB GLU A 98 -9.057 -16.073 -2.751 1.00 0.00 C ATOM 170 CG GLU A 98 -8.940 -16.045 -4.266 1.00 0.00 C ATOM 171 CD GLU A 98 -8.553 -17.391 -4.847 1.00 0.00 C ATOM 172 OE1 GLU A 98 -7.408 -17.830 -4.612 1.00 0.00 O ATOM 173 OE2 GLU A 98 -9.394 -18.004 -5.536 1.00 0.00 O ATOM 0 H GLU A 98 -8.353 -17.086 -0.602 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.927 -15.792 -2.708 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.338 -17.078 -2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.863 -15.406 -2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.891 -15.729 -4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.197 -15.302 -4.555 1.00 0.00 H new ATOM 180 N ARG A 99 -8.567 -13.927 -0.537 1.00 0.00 N ATOM 181 CA ARG A 99 -8.722 -12.564 -0.042 1.00 0.00 C ATOM 182 C ARG A 99 -7.372 -11.971 0.348 1.00 0.00 C ATOM 183 O ARG A 99 -7.093 -10.804 0.074 1.00 0.00 O ATOM 184 CB ARG A 99 -9.669 -12.540 1.159 1.00 0.00 C ATOM 185 CG ARG A 99 -11.053 -12.003 0.833 1.00 0.00 C ATOM 186 CD ARG A 99 -11.241 -10.590 1.362 1.00 0.00 C ATOM 187 NE ARG A 99 -12.642 -10.297 1.654 1.00 0.00 N ATOM 188 CZ ARG A 99 -13.569 -10.130 0.718 1.00 0.00 C ATOM 189 NH1 ARG A 99 -13.245 -10.227 -0.564 1.00 0.00 N ATOM 190 NH2 ARG A 99 -14.822 -9.866 1.063 1.00 0.00 N ATOM 0 H ARG A 99 -9.051 -14.634 0.016 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.147 -11.959 -0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.765 -13.551 1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.228 -11.929 1.947 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.203 -12.011 -0.247 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.810 -12.658 1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.647 -10.460 2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.866 -9.876 0.629 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.924 -10.216 2.631 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.282 -10.430 -0.833 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.958 -10.098 -1.281 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.075 -9.791 2.048 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.533 -9.738 0.343 1.00 0.00 H new ATOM 204 N ALA A 100 -6.538 -12.783 0.990 1.00 0.00 N ATOM 205 CA ALA A 100 -5.216 -12.339 1.416 1.00 0.00 C ATOM 206 C ALA A 100 -4.308 -12.087 0.218 1.00 0.00 C ATOM 207 O ALA A 100 -3.599 -11.083 0.165 1.00 0.00 O ATOM 208 CB ALA A 100 -4.591 -13.366 2.349 1.00 0.00 C ATOM 0 H ALA A 100 -6.754 -13.751 1.226 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.331 -11.398 1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.604 -13.022 2.660 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.224 -13.493 3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.496 -14.319 1.829 1.00 0.00 H new ATOM 214 N GLU A 101 -4.334 -13.007 -0.742 1.00 0.00 N ATOM 215 CA GLU A 101 -3.511 -12.883 -1.940 1.00 0.00 C ATOM 216 C GLU A 101 -3.773 -11.556 -2.646 1.00 0.00 C ATOM 217 O GLU A 101 -2.864 -10.957 -3.220 1.00 0.00 O ATOM 218 CB GLU A 101 -3.786 -14.046 -2.896 1.00 0.00 C ATOM 219 CG GLU A 101 -2.696 -15.105 -2.895 1.00 0.00 C ATOM 220 CD GLU A 101 -3.244 -16.504 -2.686 1.00 0.00 C ATOM 221 OE1 GLU A 101 -4.152 -16.906 -3.442 1.00 0.00 O ATOM 222 OE2 GLU A 101 -2.762 -17.197 -1.765 1.00 0.00 O ATOM 0 H GLU A 101 -4.915 -13.845 -0.714 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.465 -12.911 -1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -4.734 -14.512 -2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.900 -13.655 -3.907 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.157 -15.067 -3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.976 -14.879 -2.109 1.00 0.00 H new ATOM 229 N ARG A 102 -5.022 -11.104 -2.599 1.00 0.00 N ATOM 230 CA ARG A 102 -5.405 -9.850 -3.235 1.00 0.00 C ATOM 231 C ARG A 102 -4.956 -8.656 -2.398 1.00 0.00 C ATOM 232 O ARG A 102 -4.689 -7.578 -2.929 1.00 0.00 O ATOM 233 CB ARG A 102 -6.920 -9.800 -3.443 1.00 0.00 C ATOM 234 CG ARG A 102 -7.381 -10.467 -4.729 1.00 0.00 C ATOM 235 CD ARG A 102 -8.477 -9.663 -5.411 1.00 0.00 C ATOM 236 NE ARG A 102 -9.654 -10.479 -5.701 1.00 0.00 N ATOM 237 CZ ARG A 102 -10.826 -9.973 -6.066 1.00 0.00 C ATOM 238 NH1 ARG A 102 -10.978 -8.661 -6.186 1.00 0.00 N ATOM 239 NH2 ARG A 102 -11.850 -10.780 -6.313 1.00 0.00 N ATOM 0 H ARG A 102 -5.786 -11.588 -2.127 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.910 -9.798 -4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.410 -10.283 -2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -7.243 -8.759 -3.447 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -6.534 -10.578 -5.406 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.747 -11.470 -4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.764 -8.827 -4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -8.092 -9.239 -6.339 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.571 -11.492 -5.619 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -10.193 -8.037 -5.998 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -11.880 -8.276 -6.467 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.737 -11.790 -6.222 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.750 -10.391 -6.593 1.00 0.00 H new ATOM 253 N ARG A 103 -4.877 -8.856 -1.086 1.00 0.00 N ATOM 254 CA ARG A 103 -4.462 -7.796 -0.175 1.00 0.00 C ATOM 255 C ARG A 103 -3.054 -7.313 -0.509 1.00 0.00 C ATOM 256 O ARG A 103 -2.805 -6.110 -0.603 1.00 0.00 O ATOM 257 CB ARG A 103 -4.514 -8.289 1.272 1.00 0.00 C ATOM 258 CG ARG A 103 -5.073 -7.264 2.245 1.00 0.00 C ATOM 259 CD ARG A 103 -3.992 -6.727 3.170 1.00 0.00 C ATOM 260 NE ARG A 103 -4.428 -5.530 3.884 1.00 0.00 N ATOM 261 CZ ARG A 103 -5.251 -5.556 4.926 1.00 0.00 C ATOM 262 NH1 ARG A 103 -5.726 -6.710 5.372 1.00 0.00 N ATOM 263 NH2 ARG A 103 -5.602 -4.424 5.524 1.00 0.00 N ATOM 0 H ARG A 103 -5.095 -9.742 -0.631 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.152 -6.960 -0.292 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -5.124 -9.191 1.318 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.509 -8.567 1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -5.521 -6.440 1.690 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.868 -7.718 2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -3.715 -7.498 3.889 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.099 -6.497 2.589 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.082 -4.625 3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -5.460 -7.582 4.915 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -6.358 -6.726 6.173 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.240 -3.534 5.183 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.234 -4.445 6.324 1.00 0.00 H new ATOM 277 N LEU A 104 -2.136 -8.257 -0.685 1.00 0.00 N ATOM 278 CA LEU A 104 -0.752 -7.928 -1.008 1.00 0.00 C ATOM 279 C LEU A 104 -0.661 -7.213 -2.352 1.00 0.00 C ATOM 280 O LEU A 104 0.119 -6.276 -2.515 1.00 0.00 O ATOM 281 CB LEU A 104 0.102 -9.197 -1.034 1.00 0.00 C ATOM 282 CG LEU A 104 0.905 -9.492 0.233 1.00 0.00 C ATOM 283 CD1 LEU A 104 2.022 -8.474 0.406 1.00 0.00 C ATOM 284 CD2 LEU A 104 -0.006 -9.499 1.452 1.00 0.00 C ATOM 0 H LEU A 104 -2.325 -9.256 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.374 -7.259 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.552 -10.047 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.796 -9.127 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 104 1.354 -10.480 0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.583 -8.700 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.690 -8.517 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.594 -7.474 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.582 -9.711 2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.484 -8.525 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.770 -10.267 1.331 1.00 0.00 H new ATOM 296 N GLN A 105 -1.467 -7.660 -3.311 1.00 0.00 N ATOM 297 CA GLN A 105 -1.478 -7.062 -4.640 1.00 0.00 C ATOM 298 C GLN A 105 -2.004 -5.631 -4.587 1.00 0.00 C ATOM 299 O GLN A 105 -1.464 -4.737 -5.240 1.00 0.00 O ATOM 300 CB GLN A 105 -2.333 -7.898 -5.591 1.00 0.00 C ATOM 301 CG GLN A 105 -1.544 -8.950 -6.355 1.00 0.00 C ATOM 302 CD GLN A 105 -1.986 -9.078 -7.799 1.00 0.00 C ATOM 303 OE1 GLN A 105 -3.175 -9.221 -8.086 1.00 0.00 O ATOM 304 NE2 GLN A 105 -1.029 -9.026 -8.718 1.00 0.00 N ATOM 0 H GLN A 105 -2.120 -8.434 -3.191 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.453 -7.040 -5.010 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.121 -8.390 -5.020 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.823 -7.235 -6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -0.484 -8.697 -6.325 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.656 -9.914 -5.858 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.056 -8.906 -8.435 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -1.267 -9.106 -9.707 1.00 0.00 H new ATOM 313 N SER A 106 -3.060 -5.422 -3.809 1.00 0.00 N ATOM 314 CA SER A 106 -3.662 -4.101 -3.675 1.00 0.00 C ATOM 315 C SER A 106 -2.764 -3.174 -2.861 1.00 0.00 C ATOM 316 O SER A 106 -2.747 -1.963 -3.076 1.00 0.00 O ATOM 317 CB SER A 106 -5.037 -4.208 -3.013 1.00 0.00 C ATOM 318 OG SER A 106 -5.845 -5.169 -3.669 1.00 0.00 O ATOM 0 H SER A 106 -3.517 -6.151 -3.261 1.00 0.00 H new ATOM 0 HA SER A 106 -3.779 -3.680 -4.674 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.919 -4.482 -1.965 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.531 -3.237 -3.035 1.00 0.00 H new ATOM 0 HG SER A 106 -5.521 -6.069 -3.456 1.00 0.00 H new ATOM 324 N GLN A 107 -2.019 -3.755 -1.925 1.00 0.00 N ATOM 325 CA GLN A 107 -1.119 -2.982 -1.078 1.00 0.00 C ATOM 326 C GLN A 107 -0.082 -2.243 -1.916 1.00 0.00 C ATOM 327 O GLN A 107 0.380 -1.165 -1.541 1.00 0.00 O ATOM 328 CB GLN A 107 -0.420 -3.897 -0.070 1.00 0.00 C ATOM 329 CG GLN A 107 0.447 -3.151 0.930 1.00 0.00 C ATOM 330 CD GLN A 107 0.918 -4.036 2.066 1.00 0.00 C ATOM 331 OE1 GLN A 107 0.191 -4.918 2.525 1.00 0.00 O ATOM 332 NE2 GLN A 107 2.141 -3.804 2.529 1.00 0.00 N ATOM 0 H GLN A 107 -2.021 -4.757 -1.735 1.00 0.00 H new ATOM 0 HA GLN A 107 -1.714 -2.246 -0.538 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.173 -4.470 0.471 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.198 -4.614 -0.611 1.00 0.00 H new ATOM 0 HG2 GLN A 107 1.313 -2.735 0.415 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.115 -2.311 1.338 1.00 0.00 H new ATOM 0 HE21 GLN A 107 2.709 -3.063 2.119 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.512 -4.367 3.294 1.00 0.00 H new ATOM 341 N GLN A 108 0.281 -2.830 -3.052 1.00 0.00 N ATOM 342 CA GLN A 108 1.264 -2.227 -3.944 1.00 0.00 C ATOM 343 C GLN A 108 0.660 -1.055 -4.709 1.00 0.00 C ATOM 344 O GLN A 108 1.357 -0.104 -5.060 1.00 0.00 O ATOM 345 CB GLN A 108 1.801 -3.270 -4.925 1.00 0.00 C ATOM 346 CG GLN A 108 2.558 -4.405 -4.255 1.00 0.00 C ATOM 347 CD GLN A 108 4.015 -4.461 -4.671 1.00 0.00 C ATOM 348 OE1 GLN A 108 4.708 -3.443 -4.685 1.00 0.00 O ATOM 349 NE2 GLN A 108 4.488 -5.654 -5.013 1.00 0.00 N ATOM 0 H GLN A 108 -0.091 -3.723 -3.376 1.00 0.00 H new ATOM 0 HA GLN A 108 2.087 -1.853 -3.336 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.968 -3.685 -5.492 1.00 0.00 H new ATOM 0 HB3 GLN A 108 2.460 -2.778 -5.640 1.00 0.00 H new ATOM 0 HG2 GLN A 108 2.497 -4.288 -3.173 1.00 0.00 H new ATOM 0 HG3 GLN A 108 2.077 -5.352 -4.501 1.00 0.00 H new ATOM 0 HE21 GLN A 108 3.878 -6.471 -4.987 1.00 0.00 H new ATOM 0 HE22 GLN A 108 5.461 -5.753 -5.302 1.00 0.00 H new ATOM 358 N ASP A 109 -0.642 -1.131 -4.965 1.00 0.00 N ATOM 359 CA ASP A 109 -1.341 -0.075 -5.688 1.00 0.00 C ATOM 360 C ASP A 109 -2.125 0.814 -4.729 1.00 0.00 C ATOM 361 O ASP A 109 -3.160 1.374 -5.090 1.00 0.00 O ATOM 362 CB ASP A 109 -2.285 -0.680 -6.730 1.00 0.00 C ATOM 363 CG ASP A 109 -1.541 -1.295 -7.898 1.00 0.00 C ATOM 364 OD1 ASP A 109 -0.394 -0.876 -8.158 1.00 0.00 O ATOM 365 OD2 ASP A 109 -2.105 -2.196 -8.553 1.00 0.00 O ATOM 0 H ASP A 109 -1.234 -1.912 -4.683 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.596 0.538 -6.196 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.904 -1.442 -6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.958 0.094 -7.099 1.00 0.00 H new ATOM 370 N ASP A 110 -1.625 0.939 -3.504 1.00 0.00 N ATOM 371 CA ASP A 110 -2.279 1.760 -2.492 1.00 0.00 C ATOM 372 C ASP A 110 -1.950 3.236 -2.694 1.00 0.00 C ATOM 373 O ASP A 110 -2.844 4.059 -2.897 1.00 0.00 O ATOM 374 CB ASP A 110 -1.851 1.318 -1.092 1.00 0.00 C ATOM 375 CG ASP A 110 -2.764 1.860 -0.009 1.00 0.00 C ATOM 376 OD1 ASP A 110 -3.840 2.392 -0.352 1.00 0.00 O ATOM 377 OD2 ASP A 110 -2.402 1.751 1.181 1.00 0.00 O ATOM 0 H ASP A 110 -0.769 0.482 -3.188 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.356 1.628 -2.594 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.843 0.229 -1.045 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -0.831 1.653 -0.904 1.00 0.00 H new ATOM 382 N ILE A 111 -0.664 3.564 -2.636 1.00 0.00 N ATOM 383 CA ILE A 111 -0.218 4.941 -2.813 1.00 0.00 C ATOM 384 C ILE A 111 0.323 5.167 -4.221 1.00 0.00 C ATOM 385 O ILE A 111 1.462 5.599 -4.397 1.00 0.00 O ATOM 386 CB ILE A 111 0.870 5.316 -1.790 1.00 0.00 C ATOM 387 CG1 ILE A 111 0.468 4.847 -0.392 1.00 0.00 C ATOM 388 CG2 ILE A 111 1.112 6.818 -1.802 1.00 0.00 C ATOM 389 CD1 ILE A 111 1.497 5.166 0.671 1.00 0.00 C ATOM 0 H ILE A 111 0.088 2.895 -2.468 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.088 5.578 -2.655 1.00 0.00 H new ATOM 0 HB ILE A 111 1.798 4.816 -2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -0.480 5.312 -0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 111 0.301 3.770 -0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 111 1.884 7.068 -1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 111 1.437 7.126 -2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 111 0.189 7.337 -1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 111 1.146 4.805 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 111 2.440 4.679 0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 111 1.647 6.244 0.720 1.00 0.00 H new ATOM 401 N ASP A 112 -0.501 4.872 -5.220 1.00 0.00 N ATOM 402 CA ASP A 112 -0.107 5.046 -6.613 1.00 0.00 C ATOM 403 C ASP A 112 -0.521 6.420 -7.129 1.00 0.00 C ATOM 404 O ASP A 112 0.116 6.978 -8.022 1.00 0.00 O ATOM 405 CB ASP A 112 -0.730 3.952 -7.482 1.00 0.00 C ATOM 406 CG ASP A 112 -0.349 4.086 -8.943 1.00 0.00 C ATOM 407 OD1 ASP A 112 0.846 4.314 -9.226 1.00 0.00 O ATOM 408 OD2 ASP A 112 -1.245 3.964 -9.804 1.00 0.00 O ATOM 0 H ASP A 112 -1.446 4.511 -5.091 1.00 0.00 H new ATOM 0 HA ASP A 112 0.979 4.970 -6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -0.413 2.976 -7.115 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -1.815 3.991 -7.387 1.00 0.00 H new ATOM 413 N PHE A 113 -1.594 6.961 -6.560 1.00 0.00 N ATOM 414 CA PHE A 113 -2.095 8.270 -6.962 1.00 0.00 C ATOM 415 C PHE A 113 -1.514 9.370 -6.080 1.00 0.00 C ATOM 416 O PHE A 113 -1.320 10.502 -6.524 1.00 0.00 O ATOM 417 CB PHE A 113 -3.623 8.298 -6.892 1.00 0.00 C ATOM 418 CG PHE A 113 -4.284 7.319 -7.821 1.00 0.00 C ATOM 419 CD1 PHE A 113 -4.144 7.444 -9.194 1.00 0.00 C ATOM 420 CD2 PHE A 113 -5.045 6.275 -7.321 1.00 0.00 C ATOM 421 CE1 PHE A 113 -4.752 6.545 -10.050 1.00 0.00 C ATOM 422 CE2 PHE A 113 -5.655 5.373 -8.172 1.00 0.00 C ATOM 423 CZ PHE A 113 -5.507 5.508 -9.538 1.00 0.00 C ATOM 0 H PHE A 113 -2.133 6.513 -5.819 1.00 0.00 H new ATOM 0 HA PHE A 113 -1.782 8.451 -7.990 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -3.936 8.085 -5.870 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.971 9.303 -7.129 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -3.554 8.252 -9.599 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -5.163 6.165 -6.253 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -4.637 6.653 -11.118 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -6.246 4.564 -7.769 1.00 0.00 H new ATOM 0 HZ PHE A 113 -5.981 4.804 -10.205 1.00 0.00 H new ATOM 433 N LYS A 114 -1.238 9.031 -4.825 1.00 0.00 N ATOM 434 CA LYS A 114 -0.679 9.987 -3.878 1.00 0.00 C ATOM 435 C LYS A 114 0.757 10.344 -4.249 1.00 0.00 C ATOM 436 O LYS A 114 1.237 11.433 -3.936 1.00 0.00 O ATOM 437 CB LYS A 114 -0.724 9.417 -2.459 1.00 0.00 C ATOM 438 CG LYS A 114 -1.737 10.102 -1.559 1.00 0.00 C ATOM 439 CD LYS A 114 -1.969 9.317 -0.279 1.00 0.00 C ATOM 440 CE LYS A 114 -2.096 10.237 0.925 1.00 0.00 C ATOM 441 NZ LYS A 114 -3.518 10.548 1.238 1.00 0.00 N ATOM 0 H LYS A 114 -1.393 8.099 -4.440 1.00 0.00 H new ATOM 0 HA LYS A 114 -1.282 10.894 -3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.958 8.354 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.265 9.504 -2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -1.387 11.105 -1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.681 10.216 -2.093 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -2.874 8.718 -0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.143 8.623 -0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.628 9.769 1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.555 11.164 0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.562 11.177 2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.958 11.018 0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.028 9.666 1.447 1.00 0.00 H new ATOM 455 N ARG A 115 1.437 9.419 -4.920 1.00 0.00 N ATOM 456 CA ARG A 115 2.818 9.637 -5.333 1.00 0.00 C ATOM 457 C ARG A 115 2.887 10.612 -6.506 1.00 0.00 C ATOM 458 O ARG A 115 3.677 11.555 -6.496 1.00 0.00 O ATOM 459 CB ARG A 115 3.472 8.309 -5.721 1.00 0.00 C ATOM 460 CG ARG A 115 4.272 7.673 -4.596 1.00 0.00 C ATOM 461 CD ARG A 115 5.684 8.234 -4.531 1.00 0.00 C ATOM 462 NE ARG A 115 6.145 8.398 -3.156 1.00 0.00 N ATOM 463 CZ ARG A 115 7.419 8.576 -2.824 1.00 0.00 C ATOM 464 NH1 ARG A 115 8.353 8.612 -3.763 1.00 0.00 N ATOM 465 NH2 ARG A 115 7.760 8.717 -1.549 1.00 0.00 N ATOM 0 H ARG A 115 1.054 8.513 -5.189 1.00 0.00 H new ATOM 0 HA ARG A 115 3.359 10.069 -4.491 1.00 0.00 H new ATOM 0 HB2 ARG A 115 2.698 7.613 -6.044 1.00 0.00 H new ATOM 0 HB3 ARG A 115 4.129 8.473 -6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 115 3.767 7.846 -3.646 1.00 0.00 H new ATOM 0 HG3 ARG A 115 4.314 6.594 -4.743 1.00 0.00 H new ATOM 0 HD2 ARG A 115 6.363 7.569 -5.064 1.00 0.00 H new ATOM 0 HD3 ARG A 115 5.715 9.197 -5.041 1.00 0.00 H new ATOM 0 HE ARG A 115 5.451 8.375 -2.409 1.00 0.00 H new ATOM 0 HH11 ARG A 115 8.095 8.503 -4.744 1.00 0.00 H new ATOM 0 HH12 ARG A 115 9.330 8.749 -3.505 1.00 0.00 H new ATOM 0 HH21 ARG A 115 7.044 8.689 -0.823 1.00 0.00 H new ATOM 0 HH22 ARG A 115 8.738 8.854 -1.295 1.00 0.00 H new ATOM 479 N ALA A 116 2.055 10.376 -7.514 1.00 0.00 N ATOM 480 CA ALA A 116 2.021 11.233 -8.693 1.00 0.00 C ATOM 481 C ALA A 116 1.474 12.614 -8.351 1.00 0.00 C ATOM 482 O ALA A 116 1.842 13.609 -8.974 1.00 0.00 O ATOM 483 CB ALA A 116 1.186 10.589 -9.789 1.00 0.00 C ATOM 0 H ALA A 116 1.395 9.599 -7.538 1.00 0.00 H new ATOM 0 HA ALA A 116 3.042 11.354 -9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.169 11.240 -10.663 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.621 9.627 -10.061 1.00 0.00 H new ATOM 0 HB3 ALA A 116 0.168 10.438 -9.430 1.00 0.00 H new ATOM 489 N GLU A 117 0.592 12.668 -7.357 1.00 0.00 N ATOM 490 CA GLU A 117 -0.007 13.928 -6.935 1.00 0.00 C ATOM 491 C GLU A 117 1.055 14.879 -6.390 1.00 0.00 C ATOM 492 O GLU A 117 1.224 15.992 -6.890 1.00 0.00 O ATOM 493 CB GLU A 117 -1.078 13.679 -5.871 1.00 0.00 C ATOM 494 CG GLU A 117 -2.477 13.524 -6.441 1.00 0.00 C ATOM 495 CD GLU A 117 -3.385 12.702 -5.545 1.00 0.00 C ATOM 496 OE1 GLU A 117 -3.712 13.178 -4.438 1.00 0.00 O ATOM 497 OE2 GLU A 117 -3.766 11.585 -5.951 1.00 0.00 O ATOM 0 H GLU A 117 0.277 11.854 -6.830 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.472 14.389 -7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -0.821 12.779 -5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -1.073 14.507 -5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -2.916 14.511 -6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.416 13.051 -7.421 1.00 0.00 H new ATOM 504 N LEU A 118 1.768 14.433 -5.362 1.00 0.00 N ATOM 505 CA LEU A 118 2.814 15.244 -4.747 1.00 0.00 C ATOM 506 C LEU A 118 3.887 15.613 -5.767 1.00 0.00 C ATOM 507 O LEU A 118 4.528 16.657 -5.658 1.00 0.00 O ATOM 508 CB LEU A 118 3.446 14.492 -3.574 1.00 0.00 C ATOM 509 CG LEU A 118 2.501 14.113 -2.433 1.00 0.00 C ATOM 510 CD1 LEU A 118 3.179 13.142 -1.480 1.00 0.00 C ATOM 511 CD2 LEU A 118 2.036 15.356 -1.690 1.00 0.00 C ATOM 0 H LEU A 118 1.641 13.515 -4.936 1.00 0.00 H new ATOM 0 HA LEU A 118 2.358 16.163 -4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.904 13.580 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 118 4.249 15.105 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 118 1.626 13.621 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 118 2.492 12.883 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.461 12.239 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.071 13.607 -1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.364 15.067 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.899 15.877 -1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.510 16.017 -2.379 1.00 0.00 H new ATOM 523 N ALA A 119 4.075 14.749 -6.759 1.00 0.00 N ATOM 524 CA ALA A 119 5.066 14.986 -7.801 1.00 0.00 C ATOM 525 C ALA A 119 4.689 16.191 -8.654 1.00 0.00 C ATOM 526 O ALA A 119 5.394 17.201 -8.668 1.00 0.00 O ATOM 527 CB ALA A 119 5.223 13.748 -8.671 1.00 0.00 C ATOM 0 H ALA A 119 3.554 13.878 -6.863 1.00 0.00 H new ATOM 0 HA ALA A 119 6.020 15.201 -7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 119 5.966 13.939 -9.445 1.00 0.00 H new ATOM 0 HB2 ALA A 119 5.548 12.909 -8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.268 13.507 -9.137 1.00 0.00 H new ATOM 533 N LEU A 120 3.573 16.079 -9.366 1.00 0.00 N ATOM 534 CA LEU A 120 3.101 17.161 -10.225 1.00 0.00 C ATOM 535 C LEU A 120 2.956 18.458 -9.436 1.00 0.00 C ATOM 536 O LEU A 120 3.314 19.534 -9.916 1.00 0.00 O ATOM 537 CB LEU A 120 1.762 16.786 -10.861 1.00 0.00 C ATOM 538 CG LEU A 120 1.770 16.597 -12.379 1.00 0.00 C ATOM 539 CD1 LEU A 120 0.478 15.942 -12.842 1.00 0.00 C ATOM 540 CD2 LEU A 120 1.976 17.931 -13.081 1.00 0.00 C ATOM 0 H LEU A 120 2.978 15.251 -9.366 1.00 0.00 H new ATOM 0 HA LEU A 120 3.839 17.316 -11.012 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.410 15.862 -10.402 1.00 0.00 H new ATOM 0 HB3 LEU A 120 1.036 17.561 -10.615 1.00 0.00 H new ATOM 0 HG LEU A 120 2.600 15.940 -12.640 1.00 0.00 H new ATOM 0 HD11 LEU A 120 0.502 15.816 -13.924 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.373 14.968 -12.365 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.368 16.573 -12.569 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.979 17.778 -14.160 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.168 18.612 -12.813 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.929 18.361 -12.773 1.00 0.00 H new ATOM 552 N LYS A 121 2.431 18.350 -8.220 1.00 0.00 N ATOM 553 CA LYS A 121 2.242 19.513 -7.361 1.00 0.00 C ATOM 554 C LYS A 121 3.578 20.174 -7.039 1.00 0.00 C ATOM 555 O LYS A 121 4.475 19.543 -6.479 1.00 0.00 O ATOM 556 CB LYS A 121 1.537 19.106 -6.065 1.00 0.00 C ATOM 557 CG LYS A 121 0.028 19.274 -6.115 1.00 0.00 C ATOM 558 CD LYS A 121 -0.611 18.983 -4.768 1.00 0.00 C ATOM 559 CE LYS A 121 -1.383 17.673 -4.788 1.00 0.00 C ATOM 560 NZ LYS A 121 -1.543 17.102 -3.422 1.00 0.00 N ATOM 0 H LYS A 121 2.129 17.468 -7.807 1.00 0.00 H new ATOM 0 HA LYS A 121 1.621 20.231 -7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.771 18.064 -5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 121 1.934 19.702 -5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -0.216 20.291 -6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.389 18.605 -6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 121 0.161 18.940 -4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.283 19.798 -4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -2.366 17.837 -5.230 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -0.864 16.955 -5.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -2.074 16.210 -3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -0.606 16.921 -3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -2.061 17.776 -2.823 1.00 0.00 H new ATOM 574 N ARG A 122 3.703 21.449 -7.394 1.00 0.00 N ATOM 575 CA ARG A 122 4.930 22.196 -7.142 1.00 0.00 C ATOM 576 C ARG A 122 4.663 23.389 -6.229 1.00 0.00 C ATOM 577 O ARG A 122 5.414 23.644 -5.289 1.00 0.00 O ATOM 578 CB ARG A 122 5.540 22.675 -8.461 1.00 0.00 C ATOM 579 CG ARG A 122 6.639 21.767 -8.989 1.00 0.00 C ATOM 580 CD ARG A 122 6.657 21.741 -10.509 1.00 0.00 C ATOM 581 NE ARG A 122 8.017 21.689 -11.039 1.00 0.00 N ATOM 582 CZ ARG A 122 8.297 21.583 -12.333 1.00 0.00 C ATOM 583 NH1 ARG A 122 7.317 21.518 -13.225 1.00 0.00 N ATOM 584 NH2 ARG A 122 9.560 21.541 -12.739 1.00 0.00 N ATOM 0 H ARG A 122 2.970 21.986 -7.857 1.00 0.00 H new ATOM 0 HA ARG A 122 5.635 21.531 -6.644 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.752 22.750 -9.210 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.944 23.678 -8.322 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.605 22.110 -8.618 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.492 20.756 -8.608 1.00 0.00 H new ATOM 0 HD2 ARG A 122 6.096 20.876 -10.863 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.152 22.627 -10.893 1.00 0.00 H new ATOM 0 HE ARG A 122 8.794 21.737 -10.380 1.00 0.00 H new ATOM 0 HH11 ARG A 122 6.345 21.549 -12.918 1.00 0.00 H new ATOM 0 HH12 ARG A 122 7.536 21.437 -14.218 1.00 0.00 H new ATOM 0 HH21 ARG A 122 10.317 21.590 -12.057 1.00 0.00 H new ATOM 0 HH22 ARG A 122 9.774 21.460 -13.733 1.00 0.00 H new ATOM 598 N ALA A 123 3.587 24.116 -6.514 1.00 0.00 N ATOM 599 CA ALA A 123 3.220 25.280 -5.718 1.00 0.00 C ATOM 600 C ALA A 123 3.116 24.924 -4.239 1.00 0.00 C ATOM 601 O ALA A 123 3.556 25.684 -3.376 1.00 0.00 O ATOM 602 CB ALA A 123 1.906 25.866 -6.215 1.00 0.00 C ATOM 0 H ALA A 123 2.955 23.919 -7.290 1.00 0.00 H new ATOM 0 HA ALA A 123 4.005 26.028 -5.830 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.644 26.735 -5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.013 26.167 -7.257 1.00 0.00 H new ATOM 0 HB3 ALA A 123 1.119 25.116 -6.133 1.00 0.00 H new ATOM 608 N MET A 124 2.532 23.765 -3.954 1.00 0.00 N ATOM 609 CA MET A 124 2.372 23.309 -2.578 1.00 0.00 C ATOM 610 C MET A 124 3.718 23.256 -1.863 1.00 0.00 C ATOM 611 O MET A 124 3.807 23.535 -0.668 1.00 0.00 O ATOM 612 CB MET A 124 1.712 21.929 -2.549 1.00 0.00 C ATOM 613 CG MET A 124 0.715 21.756 -1.415 1.00 0.00 C ATOM 614 SD MET A 124 -0.991 21.991 -1.946 1.00 0.00 S ATOM 615 CE MET A 124 -1.704 22.732 -0.479 1.00 0.00 C ATOM 0 H MET A 124 2.162 23.125 -4.657 1.00 0.00 H new ATOM 0 HA MET A 124 1.732 24.021 -2.058 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.204 21.758 -3.498 1.00 0.00 H new ATOM 0 HB3 MET A 124 2.486 21.167 -2.461 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.825 20.758 -0.990 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.946 22.468 -0.622 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.761 22.937 -0.652 1.00 0.00 H new ATOM 0 HE2 MET A 124 -1.600 22.047 0.362 1.00 0.00 H new ATOM 0 HE3 MET A 124 -1.186 23.664 -0.254 1.00 0.00 H new ATOM 625 N ASN A 125 4.762 22.897 -2.602 1.00 0.00 N ATOM 626 CA ASN A 125 6.104 22.807 -2.037 1.00 0.00 C ATOM 627 C ASN A 125 6.619 24.186 -1.637 1.00 0.00 C ATOM 628 O ASN A 125 7.240 24.347 -0.588 1.00 0.00 O ATOM 629 CB ASN A 125 7.061 22.163 -3.042 1.00 0.00 C ATOM 630 CG ASN A 125 7.957 21.121 -2.402 1.00 0.00 C ATOM 631 OD1 ASN A 125 9.180 21.173 -2.532 1.00 0.00 O ATOM 632 ND2 ASN A 125 7.350 20.166 -1.707 1.00 0.00 N ATOM 0 H ASN A 125 4.705 22.664 -3.593 1.00 0.00 H new ATOM 0 HA ASN A 125 6.055 22.185 -1.144 1.00 0.00 H new ATOM 0 HB2 ASN A 125 6.485 21.700 -3.843 1.00 0.00 H new ATOM 0 HB3 ASN A 125 7.678 22.937 -3.499 1.00 0.00 H new ATOM 0 HD21 ASN A 125 7.901 19.436 -1.254 1.00 0.00 H new ATOM 0 HD22 ASN A 125 6.333 20.162 -1.626 1.00 0.00 H new ATOM 639 N ARG A 126 6.356 25.177 -2.483 1.00 0.00 N ATOM 640 CA ARG A 126 6.794 26.543 -2.218 1.00 0.00 C ATOM 641 C ARG A 126 6.178 27.070 -0.926 1.00 0.00 C ATOM 642 O ARG A 126 6.891 27.474 -0.006 1.00 0.00 O ATOM 643 CB ARG A 126 6.416 27.457 -3.386 1.00 0.00 C ATOM 644 CG ARG A 126 7.441 28.544 -3.664 1.00 0.00 C ATOM 645 CD ARG A 126 8.185 28.289 -4.965 1.00 0.00 C ATOM 646 NE ARG A 126 9.366 29.138 -5.096 1.00 0.00 N ATOM 647 CZ ARG A 126 9.321 30.401 -5.505 1.00 0.00 C ATOM 648 NH1 ARG A 126 8.160 30.958 -5.821 1.00 0.00 N ATOM 649 NH2 ARG A 126 10.439 31.109 -5.599 1.00 0.00 N ATOM 0 H ARG A 126 5.843 25.060 -3.357 1.00 0.00 H new ATOM 0 HA ARG A 126 7.878 26.536 -2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 126 6.288 26.852 -4.283 1.00 0.00 H new ATOM 0 HB3 ARG A 126 5.453 27.922 -3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 126 6.942 29.512 -3.713 1.00 0.00 H new ATOM 0 HG3 ARG A 126 8.153 28.593 -2.840 1.00 0.00 H new ATOM 0 HD2 ARG A 126 8.484 27.242 -5.012 1.00 0.00 H new ATOM 0 HD3 ARG A 126 7.515 28.467 -5.806 1.00 0.00 H new ATOM 0 HE ARG A 126 10.275 28.739 -4.861 1.00 0.00 H new ATOM 0 HH11 ARG A 126 7.299 30.416 -5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 126 8.128 31.928 -6.135 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.334 30.684 -5.357 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.404 32.079 -5.913 1.00 0.00 H new ATOM 663 N LEU A 127 4.851 27.064 -0.862 1.00 0.00 N ATOM 664 CA LEU A 127 4.140 27.542 0.318 1.00 0.00 C ATOM 665 C LEU A 127 3.648 26.374 1.168 1.00 0.00 C ATOM 666 O LEU A 127 2.592 26.452 1.796 1.00 0.00 O ATOM 667 CB LEU A 127 2.957 28.419 -0.097 1.00 0.00 C ATOM 668 CG LEU A 127 3.288 29.610 -0.997 1.00 0.00 C ATOM 669 CD1 LEU A 127 2.155 29.869 -1.978 1.00 0.00 C ATOM 670 CD2 LEU A 127 3.565 30.851 -0.160 1.00 0.00 C ATOM 0 H LEU A 127 4.246 26.733 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 127 4.833 28.135 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 127 2.228 27.792 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 127 2.474 28.794 0.805 1.00 0.00 H new ATOM 0 HG LEU A 127 4.187 29.372 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 127 2.408 30.720 -2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 127 2.004 28.987 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 127 1.240 30.086 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 127 3.799 31.688 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.685 31.092 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 127 4.410 30.662 0.502 1.00 0.00 H new TER 682 LEU A 127