USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 621 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 Set 1.1: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 80 HIS : no HD1:sc= -0.121 X(o=-0.12,f=0.0062) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.197 (180deg=-0.743) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0729) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 5 GLN : amide:sc= -2.65! C(o=-2.7!,f=-4!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= 0.0861 (180deg=-0.443) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00734 USER MOD Single : A 43 SER OG : rot 162:sc= 0.302 USER MOD Single : A 44 MET CE :methyl -156:sc= -1.86 (180deg=-2.97!) USER MOD Single : A 58 LYS NZ :NH3+ -158:sc= -0.115 (180deg=-0.49) USER MOD Single : A 65 LYS NZ :NH3+ 160:sc= 1.16 (180deg=0.909) USER MOD Single : A 66 ASN : amide:sc=-0.00157 X(o=-0.0016,f=-0.0016) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -114:sc= 2.36 USER MOD Single : A 74 THR OG1 : rot -82:sc= 0.51 USER MOD Single : A 75 LYS NZ :NH3+ -135:sc= -0.104 (180deg=-0.493) USER MOD Single : A 81 GLN : amide:sc= -3.43! C(o=-3.4!,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.762 -6.421 -2.324 1.00 0.00 N ATOM 2 CA MET A 1 -16.111 -5.481 -3.266 1.00 0.00 C ATOM 3 C MET A 1 -14.670 -5.239 -2.846 1.00 0.00 C ATOM 4 O MET A 1 -13.750 -5.270 -3.668 1.00 0.00 O ATOM 5 CB MET A 1 -16.876 -4.156 -3.296 1.00 0.00 C ATOM 6 CG MET A 1 -16.346 -3.160 -4.314 1.00 0.00 C ATOM 7 SD MET A 1 -16.487 -3.763 -6.006 1.00 0.00 S ATOM 8 CE MET A 1 -18.261 -3.957 -6.152 1.00 0.00 C ATOM 0 H1 MET A 1 -17.684 -6.713 -2.707 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.159 -7.259 -2.197 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.901 -5.952 -1.406 1.00 0.00 H new ATOM 0 HA MET A 1 -16.120 -5.918 -4.265 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.925 -4.359 -3.513 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.837 -3.703 -2.305 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.893 -2.222 -4.219 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.301 -2.943 -4.095 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.542 -3.957 -7.205 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.563 -4.900 -5.696 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.760 -3.132 -5.643 1.00 0.00 H new ATOM 20 N ALA A 2 -14.484 -4.998 -1.557 1.00 0.00 N ATOM 21 CA ALA A 2 -13.166 -4.751 -1.004 1.00 0.00 C ATOM 22 C ALA A 2 -12.393 -6.049 -0.814 1.00 0.00 C ATOM 23 O ALA A 2 -12.960 -7.140 -0.882 1.00 0.00 O ATOM 24 CB ALA A 2 -13.290 -4.010 0.315 1.00 0.00 C ATOM 0 H ALA A 2 -15.238 -4.969 -0.871 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.610 -4.135 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.297 -3.828 0.725 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.795 -3.058 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.867 -4.611 1.017 1.00 0.00 H new ATOM 30 N ALA A 3 -11.095 -5.921 -0.581 1.00 0.00 N ATOM 31 CA ALA A 3 -10.230 -7.066 -0.365 1.00 0.00 C ATOM 32 C ALA A 3 -9.687 -7.042 1.047 1.00 0.00 C ATOM 33 O ALA A 3 -9.343 -5.975 1.563 1.00 0.00 O ATOM 34 CB ALA A 3 -9.085 -7.062 -1.362 1.00 0.00 C ATOM 0 H ALA A 3 -10.615 -5.022 -0.537 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.813 -7.976 -0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.446 -7.927 -1.186 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.485 -7.106 -2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -8.501 -6.149 -1.242 1.00 0.00 H new ATOM 40 N THR A 4 -9.605 -8.202 1.674 1.00 0.00 N ATOM 41 CA THR A 4 -9.077 -8.283 3.018 1.00 0.00 C ATOM 42 C THR A 4 -7.549 -8.238 2.991 1.00 0.00 C ATOM 43 O THR A 4 -6.953 -8.067 1.927 1.00 0.00 O ATOM 44 CB THR A 4 -9.564 -9.555 3.729 1.00 0.00 C ATOM 45 OG1 THR A 4 -10.814 -9.973 3.166 1.00 0.00 O ATOM 46 CG2 THR A 4 -9.747 -9.285 5.214 1.00 0.00 C ATOM 0 H THR A 4 -9.896 -9.094 1.274 1.00 0.00 H new ATOM 0 HA THR A 4 -9.444 -7.423 3.579 1.00 0.00 H new ATOM 0 HB THR A 4 -8.820 -10.341 3.596 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.122 -10.785 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.092 -10.193 5.709 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.796 -8.975 5.647 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.484 -8.494 5.352 1.00 0.00 H new ATOM 54 N GLN A 5 -6.926 -8.410 4.151 1.00 0.00 N ATOM 55 CA GLN A 5 -5.496 -8.174 4.317 1.00 0.00 C ATOM 56 C GLN A 5 -4.649 -8.961 3.321 1.00 0.00 C ATOM 57 O GLN A 5 -3.866 -8.380 2.582 1.00 0.00 O ATOM 58 CB GLN A 5 -5.063 -8.535 5.733 1.00 0.00 C ATOM 59 CG GLN A 5 -3.634 -8.124 6.048 1.00 0.00 C ATOM 60 CD GLN A 5 -3.154 -8.696 7.364 1.00 0.00 C ATOM 61 OE1 GLN A 5 -3.360 -8.106 8.420 1.00 0.00 O ATOM 62 NE2 GLN A 5 -2.492 -9.842 7.308 1.00 0.00 N ATOM 0 H GLN A 5 -7.397 -8.717 5.002 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.332 -7.113 4.128 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.736 -8.057 6.444 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.163 -9.611 5.873 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.976 -8.459 5.246 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.569 -7.036 6.081 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.342 -10.301 6.410 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.132 -10.266 8.163 1.00 0.00 H new ATOM 71 N GLU A 6 -4.820 -10.273 3.286 1.00 0.00 N ATOM 72 CA GLU A 6 -3.959 -11.131 2.477 1.00 0.00 C ATOM 73 C GLU A 6 -4.178 -10.877 0.989 1.00 0.00 C ATOM 74 O GLU A 6 -3.245 -10.939 0.187 1.00 0.00 O ATOM 75 CB GLU A 6 -4.191 -12.616 2.802 1.00 0.00 C ATOM 76 CG GLU A 6 -5.605 -13.116 2.525 1.00 0.00 C ATOM 77 CD GLU A 6 -6.604 -12.709 3.590 1.00 0.00 C ATOM 78 OE1 GLU A 6 -7.107 -11.569 3.532 1.00 0.00 O ATOM 79 OE2 GLU A 6 -6.894 -13.529 4.483 1.00 0.00 O ATOM 0 H GLU A 6 -5.544 -10.769 3.806 1.00 0.00 H new ATOM 0 HA GLU A 6 -2.926 -10.884 2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.489 -13.215 2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.960 -12.784 3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.936 -12.732 1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.590 -14.203 2.447 1.00 0.00 H new ATOM 86 N GLU A 7 -5.412 -10.572 0.633 1.00 0.00 N ATOM 87 CA GLU A 7 -5.767 -10.317 -0.753 1.00 0.00 C ATOM 88 C GLU A 7 -5.267 -8.942 -1.186 1.00 0.00 C ATOM 89 O GLU A 7 -4.654 -8.795 -2.244 1.00 0.00 O ATOM 90 CB GLU A 7 -7.282 -10.396 -0.908 1.00 0.00 C ATOM 91 CG GLU A 7 -7.756 -10.486 -2.350 1.00 0.00 C ATOM 92 CD GLU A 7 -7.284 -11.754 -3.041 1.00 0.00 C ATOM 93 OE1 GLU A 7 -6.809 -12.678 -2.344 1.00 0.00 O ATOM 94 OE2 GLU A 7 -7.383 -11.830 -4.282 1.00 0.00 O ATOM 0 H GLU A 7 -6.190 -10.494 1.288 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.297 -11.069 -1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.647 -11.266 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.730 -9.517 -0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.845 -10.447 -2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.394 -9.619 -2.903 1.00 0.00 H new ATOM 101 N ILE A 8 -5.520 -7.939 -0.353 1.00 0.00 N ATOM 102 CA ILE A 8 -5.117 -6.573 -0.652 1.00 0.00 C ATOM 103 C ILE A 8 -3.591 -6.459 -0.581 1.00 0.00 C ATOM 104 O ILE A 8 -2.984 -5.687 -1.315 1.00 0.00 O ATOM 105 CB ILE A 8 -5.815 -5.563 0.309 1.00 0.00 C ATOM 106 CG1 ILE A 8 -5.980 -4.176 -0.341 1.00 0.00 C ATOM 107 CG2 ILE A 8 -5.064 -5.447 1.628 1.00 0.00 C ATOM 108 CD1 ILE A 8 -4.709 -3.353 -0.437 1.00 0.00 C ATOM 0 H ILE A 8 -6.004 -8.049 0.538 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.434 -6.321 -1.664 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.811 -5.956 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.385 -4.308 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.718 -3.611 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.575 -4.736 2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.030 -6.422 2.114 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.048 -5.100 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.930 -2.395 -0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.310 -3.182 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.972 -3.890 -1.034 1.00 0.00 H new ATOM 120 N VAL A 9 -2.978 -7.260 0.291 1.00 0.00 N ATOM 121 CA VAL A 9 -1.524 -7.336 0.393 1.00 0.00 C ATOM 122 C VAL A 9 -0.921 -7.836 -0.916 1.00 0.00 C ATOM 123 O VAL A 9 0.093 -7.316 -1.375 1.00 0.00 O ATOM 124 CB VAL A 9 -1.089 -8.236 1.581 1.00 0.00 C ATOM 125 CG1 VAL A 9 0.215 -8.969 1.298 1.00 0.00 C ATOM 126 CG2 VAL A 9 -0.939 -7.398 2.846 1.00 0.00 C ATOM 0 H VAL A 9 -3.473 -7.870 0.942 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.147 -6.331 0.584 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.869 -8.985 1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.479 -9.586 2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.093 -9.603 0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.008 -8.244 1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.634 -8.039 3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.184 -6.629 2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.892 -6.926 3.085 1.00 0.00 H new ATOM 136 N ALA A 10 -1.562 -8.828 -1.526 1.00 0.00 N ATOM 137 CA ALA A 10 -1.118 -9.333 -2.818 1.00 0.00 C ATOM 138 C ALA A 10 -1.188 -8.231 -3.870 1.00 0.00 C ATOM 139 O ALA A 10 -0.241 -8.022 -4.628 1.00 0.00 O ATOM 140 CB ALA A 10 -1.953 -10.530 -3.245 1.00 0.00 C ATOM 0 H ALA A 10 -2.386 -9.295 -1.148 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.082 -9.658 -2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.604 -10.891 -4.213 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.855 -11.324 -2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.999 -10.234 -3.324 1.00 0.00 H new ATOM 146 N GLY A 11 -2.310 -7.518 -3.894 1.00 0.00 N ATOM 147 CA GLY A 11 -2.479 -6.414 -4.825 1.00 0.00 C ATOM 148 C GLY A 11 -1.524 -5.269 -4.542 1.00 0.00 C ATOM 149 O GLY A 11 -1.023 -4.626 -5.466 1.00 0.00 O ATOM 0 H GLY A 11 -3.109 -7.685 -3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.321 -6.772 -5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.505 -6.050 -4.771 1.00 0.00 H new ATOM 153 N LEU A 12 -1.287 -5.011 -3.262 1.00 0.00 N ATOM 154 CA LEU A 12 -0.340 -3.991 -2.837 1.00 0.00 C ATOM 155 C LEU A 12 1.056 -4.388 -3.299 1.00 0.00 C ATOM 156 O LEU A 12 1.748 -3.613 -3.952 1.00 0.00 O ATOM 157 CB LEU A 12 -0.375 -3.842 -1.304 1.00 0.00 C ATOM 158 CG LEU A 12 -0.356 -2.403 -0.755 1.00 0.00 C ATOM 159 CD1 LEU A 12 0.877 -1.652 -1.230 1.00 0.00 C ATOM 160 CD2 LEU A 12 -1.624 -1.651 -1.151 1.00 0.00 C ATOM 0 H LEU A 12 -1.744 -5.501 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.609 -3.032 -3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.272 -4.337 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.479 -4.377 -0.889 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.319 -2.465 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.864 -0.639 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.773 -2.168 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.880 -1.609 -2.319 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.586 -0.638 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.698 -1.610 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.495 -2.168 -0.747 1.00 0.00 H new ATOM 172 N ALA A 13 1.436 -5.623 -2.981 1.00 0.00 N ATOM 173 CA ALA A 13 2.735 -6.172 -3.353 1.00 0.00 C ATOM 174 C ALA A 13 2.971 -6.075 -4.850 1.00 0.00 C ATOM 175 O ALA A 13 3.990 -5.545 -5.296 1.00 0.00 O ATOM 176 CB ALA A 13 2.825 -7.621 -2.916 1.00 0.00 C ATOM 0 H ALA A 13 0.849 -6.272 -2.457 1.00 0.00 H new ATOM 0 HA ALA A 13 3.504 -5.586 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.797 -8.026 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.704 -7.683 -1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.038 -8.197 -3.402 1.00 0.00 H new ATOM 182 N GLU A 14 2.008 -6.587 -5.612 1.00 0.00 N ATOM 183 CA GLU A 14 2.056 -6.555 -7.070 1.00 0.00 C ATOM 184 C GLU A 14 2.365 -5.147 -7.569 1.00 0.00 C ATOM 185 O GLU A 14 3.157 -4.953 -8.491 1.00 0.00 O ATOM 186 CB GLU A 14 0.709 -7.014 -7.646 1.00 0.00 C ATOM 187 CG GLU A 14 0.633 -6.906 -9.162 1.00 0.00 C ATOM 188 CD GLU A 14 -0.764 -7.127 -9.713 1.00 0.00 C ATOM 189 OE1 GLU A 14 -1.540 -6.147 -9.786 1.00 0.00 O ATOM 190 OE2 GLU A 14 -1.088 -8.265 -10.108 1.00 0.00 O ATOM 0 H GLU A 14 1.173 -7.036 -5.236 1.00 0.00 H new ATOM 0 HA GLU A 14 2.847 -7.228 -7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.530 -8.049 -7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.089 -6.416 -7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.984 -5.920 -9.467 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.310 -7.636 -9.605 1.00 0.00 H new ATOM 197 N ILE A 15 1.755 -4.171 -6.926 1.00 0.00 N ATOM 198 CA ILE A 15 1.826 -2.802 -7.379 1.00 0.00 C ATOM 199 C ILE A 15 3.083 -2.086 -6.864 1.00 0.00 C ATOM 200 O ILE A 15 3.607 -1.197 -7.529 1.00 0.00 O ATOM 201 CB ILE A 15 0.530 -2.053 -6.993 1.00 0.00 C ATOM 202 CG1 ILE A 15 -0.193 -1.612 -8.268 1.00 0.00 C ATOM 203 CG2 ILE A 15 0.807 -0.870 -6.071 1.00 0.00 C ATOM 204 CD1 ILE A 15 -1.593 -1.100 -8.034 1.00 0.00 C ATOM 0 H ILE A 15 1.200 -4.306 -6.081 1.00 0.00 H new ATOM 0 HA ILE A 15 1.909 -2.805 -8.466 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.112 -2.732 -6.432 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.392 -0.831 -8.753 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.236 -2.454 -8.959 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.131 -0.373 -5.825 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.280 -1.225 -5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.470 -0.165 -6.572 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.037 -0.808 -8.985 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.196 -1.885 -7.578 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.558 -0.237 -7.369 1.00 0.00 H new ATOM 216 N VAL A 16 3.586 -2.474 -5.697 1.00 0.00 N ATOM 217 CA VAL A 16 4.825 -1.884 -5.199 1.00 0.00 C ATOM 218 C VAL A 16 6.015 -2.476 -5.944 1.00 0.00 C ATOM 219 O VAL A 16 7.075 -1.854 -6.048 1.00 0.00 O ATOM 220 CB VAL A 16 5.020 -2.072 -3.680 1.00 0.00 C ATOM 221 CG1 VAL A 16 6.273 -1.342 -3.216 1.00 0.00 C ATOM 222 CG2 VAL A 16 3.810 -1.566 -2.921 1.00 0.00 C ATOM 0 H VAL A 16 3.167 -3.178 -5.089 1.00 0.00 H new ATOM 0 HA VAL A 16 4.756 -0.811 -5.380 1.00 0.00 H new ATOM 0 HB VAL A 16 5.136 -3.137 -3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.399 -1.482 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.142 -1.742 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.176 -0.278 -3.434 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.966 -1.707 -1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.667 -0.506 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.926 -2.121 -3.235 1.00 0.00 H new ATOM 232 N ASN A 17 5.827 -3.682 -6.469 1.00 0.00 N ATOM 233 CA ASN A 17 6.821 -4.304 -7.338 1.00 0.00 C ATOM 234 C ASN A 17 7.010 -3.449 -8.591 1.00 0.00 C ATOM 235 O ASN A 17 8.100 -3.385 -9.159 1.00 0.00 O ATOM 236 CB ASN A 17 6.392 -5.734 -7.711 1.00 0.00 C ATOM 237 CG ASN A 17 7.451 -6.464 -8.528 1.00 0.00 C ATOM 238 OD1 ASN A 17 7.419 -6.457 -9.759 1.00 0.00 O ATOM 239 ND2 ASN A 17 8.390 -7.111 -7.850 1.00 0.00 N ATOM 0 H ASN A 17 4.995 -4.249 -6.308 1.00 0.00 H new ATOM 0 HA ASN A 17 7.771 -4.368 -6.808 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.187 -6.298 -6.801 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.462 -5.695 -8.279 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.117 -7.624 -8.349 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.385 -7.095 -6.830 1.00 0.00 H new ATOM 246 N GLU A 18 5.932 -2.775 -8.994 1.00 0.00 N ATOM 247 CA GLU A 18 5.980 -1.790 -10.074 1.00 0.00 C ATOM 248 C GLU A 18 6.897 -0.628 -9.688 1.00 0.00 C ATOM 249 O GLU A 18 7.694 -0.151 -10.498 1.00 0.00 O ATOM 250 CB GLU A 18 4.559 -1.266 -10.359 1.00 0.00 C ATOM 251 CG GLU A 18 4.471 -0.197 -11.441 1.00 0.00 C ATOM 252 CD GLU A 18 5.000 -0.650 -12.786 1.00 0.00 C ATOM 253 OE1 GLU A 18 4.397 -1.554 -13.403 1.00 0.00 O ATOM 254 OE2 GLU A 18 6.024 -0.097 -13.236 1.00 0.00 O ATOM 0 H GLU A 18 5.006 -2.896 -8.583 1.00 0.00 H new ATOM 0 HA GLU A 18 6.376 -2.265 -10.972 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.929 -2.107 -10.649 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.145 -0.861 -9.435 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.431 0.109 -11.554 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.029 0.682 -11.118 1.00 0.00 H new ATOM 261 N ILE A 19 6.792 -0.202 -8.434 1.00 0.00 N ATOM 262 CA ILE A 19 7.503 0.979 -7.956 1.00 0.00 C ATOM 263 C ILE A 19 8.978 0.694 -7.704 1.00 0.00 C ATOM 264 O ILE A 19 9.851 1.375 -8.240 1.00 0.00 O ATOM 265 CB ILE A 19 6.902 1.496 -6.638 1.00 0.00 C ATOM 266 CG1 ILE A 19 5.386 1.605 -6.742 1.00 0.00 C ATOM 267 CG2 ILE A 19 7.512 2.839 -6.281 1.00 0.00 C ATOM 268 CD1 ILE A 19 4.724 2.051 -5.460 1.00 0.00 C ATOM 0 H ILE A 19 6.218 -0.660 -7.726 1.00 0.00 H new ATOM 0 HA ILE A 19 7.401 1.727 -8.743 1.00 0.00 H new ATOM 0 HB ILE A 19 7.134 0.784 -5.846 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.134 2.309 -7.535 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.979 0.637 -7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 19 7.081 3.198 -5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 19 8.590 2.729 -6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.304 3.556 -7.075 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.645 2.106 -5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.946 1.336 -4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.103 3.033 -5.178 1.00 0.00 H new ATOM 280 N ALA A 20 9.248 -0.316 -6.894 1.00 0.00 N ATOM 281 CA ALA A 20 10.607 -0.603 -6.469 1.00 0.00 C ATOM 282 C ALA A 20 10.935 -2.074 -6.667 1.00 0.00 C ATOM 283 O ALA A 20 11.620 -2.436 -7.622 1.00 0.00 O ATOM 284 CB ALA A 20 10.811 -0.188 -5.020 1.00 0.00 C ATOM 0 H ALA A 20 8.544 -0.951 -6.518 1.00 0.00 H new ATOM 0 HA ALA A 20 11.291 -0.022 -7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.835 -0.410 -4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.627 0.882 -4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.118 -0.737 -4.383 1.00 0.00 H new ATOM 290 N GLY A 21 10.452 -2.925 -5.769 1.00 0.00 N ATOM 291 CA GLY A 21 10.615 -4.349 -5.976 1.00 0.00 C ATOM 292 C GLY A 21 10.812 -5.159 -4.707 1.00 0.00 C ATOM 293 O GLY A 21 11.854 -5.785 -4.533 1.00 0.00 O ATOM 0 H GLY A 21 9.959 -2.660 -4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.738 -4.728 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.472 -4.511 -6.630 1.00 0.00 H new ATOM 297 N ILE A 22 9.829 -5.137 -3.810 1.00 0.00 N ATOM 298 CA ILE A 22 9.769 -6.124 -2.740 1.00 0.00 C ATOM 299 C ILE A 22 9.001 -7.336 -3.255 1.00 0.00 C ATOM 300 O ILE A 22 7.924 -7.180 -3.837 1.00 0.00 O ATOM 301 CB ILE A 22 9.072 -5.590 -1.455 1.00 0.00 C ATOM 302 CG1 ILE A 22 9.974 -4.612 -0.687 1.00 0.00 C ATOM 303 CG2 ILE A 22 8.661 -6.742 -0.546 1.00 0.00 C ATOM 304 CD1 ILE A 22 11.231 -5.241 -0.128 1.00 0.00 C ATOM 0 H ILE A 22 9.072 -4.454 -3.804 1.00 0.00 H new ATOM 0 HA ILE A 22 10.792 -6.377 -2.463 1.00 0.00 H new ATOM 0 HB ILE A 22 8.179 -5.050 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.254 -3.795 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 22 9.403 -4.175 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.176 -6.346 0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.968 -7.395 -1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.545 -7.310 -0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.813 -4.485 0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.962 -6.039 0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 22 11.826 -5.653 -0.944 1.00 0.00 H new ATOM 316 N PRO A 23 9.564 -8.547 -3.102 1.00 0.00 N ATOM 317 CA PRO A 23 8.873 -9.786 -3.461 1.00 0.00 C ATOM 318 C PRO A 23 7.475 -9.849 -2.843 1.00 0.00 C ATOM 319 O PRO A 23 7.278 -9.444 -1.694 1.00 0.00 O ATOM 320 CB PRO A 23 9.775 -10.875 -2.877 1.00 0.00 C ATOM 321 CG PRO A 23 11.132 -10.268 -2.855 1.00 0.00 C ATOM 322 CD PRO A 23 10.924 -8.801 -2.589 1.00 0.00 C ATOM 0 HA PRO A 23 8.719 -9.884 -4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.453 -11.161 -1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.754 -11.777 -3.489 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.750 -10.722 -2.080 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.645 -10.424 -3.804 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.002 -8.571 -1.526 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.667 -8.191 -3.102 1.00 0.00 H new ATOM 330 N VAL A 24 6.523 -10.372 -3.606 1.00 0.00 N ATOM 331 CA VAL A 24 5.118 -10.386 -3.206 1.00 0.00 C ATOM 332 C VAL A 24 4.934 -11.080 -1.856 1.00 0.00 C ATOM 333 O VAL A 24 4.085 -10.693 -1.050 1.00 0.00 O ATOM 334 CB VAL A 24 4.246 -11.088 -4.275 1.00 0.00 C ATOM 335 CG1 VAL A 24 2.788 -11.151 -3.842 1.00 0.00 C ATOM 336 CG2 VAL A 24 4.370 -10.375 -5.614 1.00 0.00 C ATOM 0 H VAL A 24 6.700 -10.797 -4.516 1.00 0.00 H new ATOM 0 HA VAL A 24 4.797 -9.349 -3.112 1.00 0.00 H new ATOM 0 HB VAL A 24 4.609 -12.110 -4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.201 -11.649 -4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.709 -11.709 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.409 -10.140 -3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.751 -10.881 -6.355 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.038 -9.342 -5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.410 -10.390 -5.939 1.00 0.00 H new ATOM 346 N GLU A 25 5.758 -12.086 -1.603 1.00 0.00 N ATOM 347 CA GLU A 25 5.667 -12.867 -0.375 1.00 0.00 C ATOM 348 C GLU A 25 6.253 -12.118 0.827 1.00 0.00 C ATOM 349 O GLU A 25 5.911 -12.407 1.974 1.00 0.00 O ATOM 350 CB GLU A 25 6.383 -14.204 -0.563 1.00 0.00 C ATOM 351 CG GLU A 25 5.748 -15.079 -1.632 1.00 0.00 C ATOM 352 CD GLU A 25 6.546 -16.334 -1.905 1.00 0.00 C ATOM 353 OE1 GLU A 25 6.722 -17.149 -0.973 1.00 0.00 O ATOM 354 OE2 GLU A 25 6.989 -16.519 -3.060 1.00 0.00 O ATOM 0 H GLU A 25 6.502 -12.383 -2.235 1.00 0.00 H new ATOM 0 HA GLU A 25 4.611 -13.040 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.424 -14.017 -0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.386 -14.743 0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.740 -15.354 -1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.651 -14.507 -2.555 1.00 0.00 H new ATOM 361 N ASP A 26 7.117 -11.144 0.566 1.00 0.00 N ATOM 362 CA ASP A 26 7.822 -10.443 1.642 1.00 0.00 C ATOM 363 C ASP A 26 6.997 -9.271 2.145 1.00 0.00 C ATOM 364 O ASP A 26 7.261 -8.726 3.220 1.00 0.00 O ATOM 365 CB ASP A 26 9.186 -9.933 1.155 1.00 0.00 C ATOM 366 CG ASP A 26 10.148 -9.663 2.297 1.00 0.00 C ATOM 367 OD1 ASP A 26 10.250 -10.512 3.207 1.00 0.00 O ATOM 368 OD2 ASP A 26 10.816 -8.605 2.284 1.00 0.00 O ATOM 0 H ASP A 26 7.348 -10.821 -0.373 1.00 0.00 H new ATOM 0 HA ASP A 26 7.976 -11.150 2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.625 -10.668 0.481 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.044 -9.018 0.580 1.00 0.00 H new ATOM 373 N VAL A 27 5.997 -8.888 1.363 1.00 0.00 N ATOM 374 CA VAL A 27 5.146 -7.753 1.695 1.00 0.00 C ATOM 375 C VAL A 27 4.276 -8.073 2.897 1.00 0.00 C ATOM 376 O VAL A 27 3.492 -9.019 2.884 1.00 0.00 O ATOM 377 CB VAL A 27 4.273 -7.319 0.498 1.00 0.00 C ATOM 378 CG1 VAL A 27 3.374 -6.140 0.860 1.00 0.00 C ATOM 379 CG2 VAL A 27 5.159 -6.961 -0.683 1.00 0.00 C ATOM 0 H VAL A 27 5.754 -9.351 0.487 1.00 0.00 H new ATOM 0 HA VAL A 27 5.800 -6.917 1.944 1.00 0.00 H new ATOM 0 HB VAL A 27 3.629 -8.156 0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.774 -5.861 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.716 -6.423 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.989 -5.293 1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.537 -6.656 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.822 -6.142 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.754 -7.829 -0.968 1.00 0.00 H new ATOM 389 N LYS A 28 4.428 -7.269 3.933 1.00 0.00 N ATOM 390 CA LYS A 28 3.810 -7.533 5.216 1.00 0.00 C ATOM 391 C LYS A 28 3.398 -6.225 5.849 1.00 0.00 C ATOM 392 O LYS A 28 3.680 -5.164 5.308 1.00 0.00 O ATOM 393 CB LYS A 28 4.797 -8.248 6.133 1.00 0.00 C ATOM 394 CG LYS A 28 5.284 -9.583 5.594 1.00 0.00 C ATOM 395 CD LYS A 28 6.357 -10.164 6.488 1.00 0.00 C ATOM 396 CE LYS A 28 5.809 -10.417 7.886 1.00 0.00 C ATOM 397 NZ LYS A 28 6.810 -11.024 8.801 1.00 0.00 N ATOM 0 H LYS A 28 4.984 -6.414 3.907 1.00 0.00 H new ATOM 0 HA LYS A 28 2.935 -8.166 5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.657 -7.600 6.301 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.326 -8.409 7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.448 -10.278 5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.676 -9.452 4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.727 -11.097 6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.204 -9.480 6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.462 -9.475 8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.942 -11.074 7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.380 -11.173 9.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.124 -11.937 8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.627 -10.387 8.893 1.00 0.00 H new ATOM 411 N LEU A 29 2.764 -6.295 7.004 1.00 0.00 N ATOM 412 CA LEU A 29 2.351 -5.090 7.699 1.00 0.00 C ATOM 413 C LEU A 29 3.523 -4.510 8.480 1.00 0.00 C ATOM 414 O LEU A 29 3.439 -3.415 9.037 1.00 0.00 O ATOM 415 CB LEU A 29 1.198 -5.383 8.660 1.00 0.00 C ATOM 416 CG LEU A 29 -0.001 -6.121 8.060 1.00 0.00 C ATOM 417 CD1 LEU A 29 -1.163 -6.106 9.038 1.00 0.00 C ATOM 418 CD2 LEU A 29 -0.416 -5.508 6.729 1.00 0.00 C ATOM 0 H LEU A 29 2.525 -7.166 7.478 1.00 0.00 H new ATOM 0 HA LEU A 29 2.014 -4.369 6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.584 -5.973 9.491 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.848 -4.438 9.075 1.00 0.00 H new ATOM 0 HG LEU A 29 0.292 -7.154 7.873 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.012 -6.633 8.603 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.866 -6.599 9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.447 -5.075 9.250 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.270 -6.054 6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.691 -4.464 6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.415 -5.567 6.026 1.00 0.00 H new ATOM 430 N ASP A 30 4.615 -5.258 8.512 1.00 0.00 N ATOM 431 CA ASP A 30 5.751 -4.922 9.359 1.00 0.00 C ATOM 432 C ASP A 30 6.773 -4.085 8.611 1.00 0.00 C ATOM 433 O ASP A 30 7.442 -3.237 9.200 1.00 0.00 O ATOM 434 CB ASP A 30 6.455 -6.192 9.851 1.00 0.00 C ATOM 435 CG ASP A 30 5.506 -7.296 10.264 1.00 0.00 C ATOM 436 OD1 ASP A 30 4.835 -7.868 9.374 1.00 0.00 O ATOM 437 OD2 ASP A 30 5.469 -7.628 11.466 1.00 0.00 O ATOM 0 H ASP A 30 4.740 -6.106 7.959 1.00 0.00 H new ATOM 0 HA ASP A 30 5.357 -4.354 10.202 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.108 -6.563 9.061 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.092 -5.938 10.698 1.00 0.00 H new ATOM 442 N LYS A 31 6.894 -4.320 7.314 1.00 0.00 N ATOM 443 CA LYS A 31 8.000 -3.764 6.574 1.00 0.00 C ATOM 444 C LYS A 31 7.673 -2.333 6.158 1.00 0.00 C ATOM 445 O LYS A 31 6.542 -2.021 5.781 1.00 0.00 O ATOM 446 CB LYS A 31 8.345 -4.674 5.392 1.00 0.00 C ATOM 447 CG LYS A 31 7.605 -4.385 4.105 1.00 0.00 C ATOM 448 CD LYS A 31 7.475 -5.620 3.239 1.00 0.00 C ATOM 449 CE LYS A 31 8.824 -6.175 2.803 1.00 0.00 C ATOM 450 NZ LYS A 31 9.464 -7.034 3.839 1.00 0.00 N ATOM 0 H LYS A 31 6.247 -4.885 6.764 1.00 0.00 H new ATOM 0 HA LYS A 31 8.891 -3.715 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.415 -4.599 5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.145 -5.706 5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.613 -3.997 4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.130 -3.607 3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.931 -6.388 3.788 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.883 -5.379 2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.694 -6.754 1.889 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.491 -5.347 2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.214 -7.606 3.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.875 -6.434 4.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.750 -7.663 4.258 1.00 0.00 H new ATOM 464 N SER A 32 8.651 -1.463 6.256 1.00 0.00 N ATOM 465 CA SER A 32 8.415 -0.040 6.093 1.00 0.00 C ATOM 466 C SER A 32 8.516 0.364 4.624 1.00 0.00 C ATOM 467 O SER A 32 9.427 -0.065 3.923 1.00 0.00 O ATOM 468 CB SER A 32 9.423 0.739 6.938 1.00 0.00 C ATOM 469 OG SER A 32 9.488 0.224 8.259 1.00 0.00 O ATOM 0 H SER A 32 9.621 -1.712 6.448 1.00 0.00 H new ATOM 0 HA SER A 32 7.405 0.194 6.431 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.408 0.686 6.475 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.141 1.791 6.968 1.00 0.00 H new ATOM 0 HG SER A 32 10.141 0.738 8.779 1.00 0.00 H new ATOM 475 N PHE A 33 7.571 1.178 4.158 1.00 0.00 N ATOM 476 CA PHE A 33 7.579 1.665 2.779 1.00 0.00 C ATOM 477 C PHE A 33 8.883 2.390 2.480 1.00 0.00 C ATOM 478 O PHE A 33 9.521 2.165 1.451 1.00 0.00 O ATOM 479 CB PHE A 33 6.404 2.617 2.534 1.00 0.00 C ATOM 480 CG PHE A 33 5.272 2.016 1.746 1.00 0.00 C ATOM 481 CD1 PHE A 33 5.503 1.436 0.511 1.00 0.00 C ATOM 482 CD2 PHE A 33 3.976 2.042 2.235 1.00 0.00 C ATOM 483 CE1 PHE A 33 4.465 0.889 -0.219 1.00 0.00 C ATOM 484 CE2 PHE A 33 2.933 1.500 1.507 1.00 0.00 C ATOM 485 CZ PHE A 33 3.180 0.922 0.279 1.00 0.00 C ATOM 0 H PHE A 33 6.787 1.515 4.717 1.00 0.00 H new ATOM 0 HA PHE A 33 7.484 0.803 2.118 1.00 0.00 H new ATOM 0 HB2 PHE A 33 6.021 2.957 3.496 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.770 3.498 2.007 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.507 1.411 0.113 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.778 2.491 3.197 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.660 0.436 -1.180 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.927 1.529 1.899 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.368 0.496 -0.291 1.00 0.00 H new ATOM 495 N THR A 34 9.278 3.243 3.404 1.00 0.00 N ATOM 496 CA THR A 34 10.468 4.048 3.249 1.00 0.00 C ATOM 497 C THR A 34 11.733 3.214 3.466 1.00 0.00 C ATOM 498 O THR A 34 12.757 3.441 2.820 1.00 0.00 O ATOM 499 CB THR A 34 10.434 5.217 4.252 1.00 0.00 C ATOM 500 OG1 THR A 34 10.106 4.711 5.554 1.00 0.00 O ATOM 501 CG2 THR A 34 9.399 6.255 3.846 1.00 0.00 C ATOM 0 H THR A 34 8.782 3.396 4.282 1.00 0.00 H new ATOM 0 HA THR A 34 10.490 4.436 2.231 1.00 0.00 H new ATOM 0 HB THR A 34 11.415 5.692 4.264 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.085 5.451 6.197 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.396 7.069 4.571 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.646 6.648 2.860 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.412 5.793 3.816 1.00 0.00 H new ATOM 509 N ASP A 35 11.644 2.233 4.359 1.00 0.00 N ATOM 510 CA ASP A 35 12.820 1.469 4.778 1.00 0.00 C ATOM 511 C ASP A 35 13.024 0.219 3.922 1.00 0.00 C ATOM 512 O ASP A 35 14.068 0.048 3.296 1.00 0.00 O ATOM 513 CB ASP A 35 12.690 1.084 6.254 1.00 0.00 C ATOM 514 CG ASP A 35 13.986 0.562 6.837 1.00 0.00 C ATOM 515 OD1 ASP A 35 14.788 1.379 7.332 1.00 0.00 O ATOM 516 OD2 ASP A 35 14.206 -0.664 6.814 1.00 0.00 O ATOM 0 H ASP A 35 10.773 1.947 4.807 1.00 0.00 H new ATOM 0 HA ASP A 35 13.696 2.104 4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.364 1.953 6.825 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.916 0.324 6.360 1.00 0.00 H new ATOM 521 N ASP A 36 12.015 -0.648 3.895 1.00 0.00 N ATOM 522 CA ASP A 36 12.110 -1.934 3.202 1.00 0.00 C ATOM 523 C ASP A 36 11.662 -1.824 1.750 1.00 0.00 C ATOM 524 O ASP A 36 12.337 -2.320 0.850 1.00 0.00 O ATOM 525 CB ASP A 36 11.248 -2.998 3.893 1.00 0.00 C ATOM 526 CG ASP A 36 11.678 -3.298 5.313 1.00 0.00 C ATOM 527 OD1 ASP A 36 11.195 -2.612 6.237 1.00 0.00 O ATOM 528 OD2 ASP A 36 12.472 -4.246 5.512 1.00 0.00 O ATOM 0 H ASP A 36 11.116 -0.483 4.348 1.00 0.00 H new ATOM 0 HA ASP A 36 13.159 -2.227 3.235 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.210 -2.665 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.284 -3.918 3.309 1.00 0.00 H new ATOM 533 N LEU A 37 10.516 -1.180 1.531 1.00 0.00 N ATOM 534 CA LEU A 37 9.923 -1.099 0.193 1.00 0.00 C ATOM 535 C LEU A 37 10.785 -0.252 -0.737 1.00 0.00 C ATOM 536 O LEU A 37 10.618 -0.312 -1.952 1.00 0.00 O ATOM 537 CB LEU A 37 8.496 -0.521 0.230 1.00 0.00 C ATOM 538 CG LEU A 37 7.373 -1.447 0.732 1.00 0.00 C ATOM 539 CD1 LEU A 37 7.263 -2.697 -0.118 1.00 0.00 C ATOM 540 CD2 LEU A 37 7.581 -1.831 2.179 1.00 0.00 C ATOM 0 H LEU A 37 9.980 -0.708 2.259 1.00 0.00 H new ATOM 0 HA LEU A 37 9.873 -2.119 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.508 0.368 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.238 -0.193 -0.777 1.00 0.00 H new ATOM 0 HG LEU A 37 6.441 -0.887 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.461 -3.328 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.045 -2.418 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.204 -3.246 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 37 6.771 -2.485 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.532 -2.353 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.590 -0.933 2.796 1.00 0.00 H new ATOM 552 N ASP A 38 11.694 0.538 -0.153 1.00 0.00 N ATOM 553 CA ASP A 38 12.615 1.376 -0.925 1.00 0.00 C ATOM 554 C ASP A 38 11.844 2.409 -1.738 1.00 0.00 C ATOM 555 O ASP A 38 12.273 2.814 -2.818 1.00 0.00 O ATOM 556 CB ASP A 38 13.466 0.502 -1.854 1.00 0.00 C ATOM 557 CG ASP A 38 14.941 0.554 -1.522 1.00 0.00 C ATOM 558 OD1 ASP A 38 15.298 0.359 -0.345 1.00 0.00 O ATOM 559 OD2 ASP A 38 15.760 0.764 -2.443 1.00 0.00 O ATOM 0 H ASP A 38 11.810 0.613 0.858 1.00 0.00 H new ATOM 0 HA ASP A 38 13.271 1.902 -0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.121 -0.530 -1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.319 0.825 -2.885 1.00 0.00 H new ATOM 564 N VAL A 39 10.725 2.861 -1.193 1.00 0.00 N ATOM 565 CA VAL A 39 9.816 3.710 -1.936 1.00 0.00 C ATOM 566 C VAL A 39 10.008 5.189 -1.581 1.00 0.00 C ATOM 567 O VAL A 39 10.371 5.530 -0.453 1.00 0.00 O ATOM 568 CB VAL A 39 8.346 3.283 -1.684 1.00 0.00 C ATOM 569 CG1 VAL A 39 7.702 4.088 -0.567 1.00 0.00 C ATOM 570 CG2 VAL A 39 7.536 3.387 -2.960 1.00 0.00 C ATOM 0 H VAL A 39 10.428 2.653 -0.240 1.00 0.00 H new ATOM 0 HA VAL A 39 10.044 3.589 -2.995 1.00 0.00 H new ATOM 0 HB VAL A 39 8.359 2.242 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.674 3.755 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.262 3.941 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.708 5.146 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.508 3.084 -2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.549 4.417 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.968 2.735 -3.719 1.00 0.00 H new ATOM 580 N ASP A 40 9.779 6.056 -2.562 1.00 0.00 N ATOM 581 CA ASP A 40 9.821 7.500 -2.346 1.00 0.00 C ATOM 582 C ASP A 40 8.415 8.014 -2.115 1.00 0.00 C ATOM 583 O ASP A 40 7.447 7.324 -2.437 1.00 0.00 O ATOM 584 CB ASP A 40 10.407 8.225 -3.558 1.00 0.00 C ATOM 585 CG ASP A 40 11.686 7.599 -4.056 1.00 0.00 C ATOM 586 OD1 ASP A 40 11.601 6.628 -4.832 1.00 0.00 O ATOM 587 OD2 ASP A 40 12.777 8.092 -3.698 1.00 0.00 O ATOM 0 H ASP A 40 9.561 5.783 -3.520 1.00 0.00 H new ATOM 0 HA ASP A 40 10.452 7.693 -1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.672 8.228 -4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.596 9.266 -3.296 1.00 0.00 H new ATOM 592 N SER A 41 8.311 9.231 -1.595 1.00 0.00 N ATOM 593 CA SER A 41 7.022 9.853 -1.318 1.00 0.00 C ATOM 594 C SER A 41 6.140 9.899 -2.569 1.00 0.00 C ATOM 595 O SER A 41 4.970 9.512 -2.532 1.00 0.00 O ATOM 596 CB SER A 41 7.243 11.260 -0.763 1.00 0.00 C ATOM 597 OG SER A 41 8.214 11.957 -1.527 1.00 0.00 O ATOM 0 H SER A 41 9.114 9.812 -1.354 1.00 0.00 H new ATOM 0 HA SER A 41 6.500 9.249 -0.576 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.303 11.811 -0.772 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.567 11.199 0.276 1.00 0.00 H new ATOM 0 HG SER A 41 8.339 12.855 -1.156 1.00 0.00 H new ATOM 603 N LEU A 42 6.701 10.365 -3.677 1.00 0.00 N ATOM 604 CA LEU A 42 5.960 10.407 -4.932 1.00 0.00 C ATOM 605 C LEU A 42 5.691 8.983 -5.416 1.00 0.00 C ATOM 606 O LEU A 42 4.554 8.626 -5.715 1.00 0.00 O ATOM 607 CB LEU A 42 6.738 11.190 -6.000 1.00 0.00 C ATOM 608 CG LEU A 42 5.882 11.881 -7.076 1.00 0.00 C ATOM 609 CD1 LEU A 42 4.962 10.893 -7.780 1.00 0.00 C ATOM 610 CD2 LEU A 42 5.070 13.010 -6.461 1.00 0.00 C ATOM 0 H LEU A 42 7.657 10.716 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 42 5.012 10.917 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.342 11.947 -5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.428 10.507 -6.495 1.00 0.00 H new ATOM 0 HG LEU A 42 6.560 12.295 -7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.373 11.417 -8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.560 10.119 -8.261 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.294 10.435 -7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.470 13.489 -7.234 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.414 12.608 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.744 13.743 -6.018 1.00 0.00 H new ATOM 622 N SER A 43 6.750 8.182 -5.467 1.00 0.00 N ATOM 623 CA SER A 43 6.683 6.803 -5.938 1.00 0.00 C ATOM 624 C SER A 43 5.516 6.038 -5.300 1.00 0.00 C ATOM 625 O SER A 43 4.683 5.440 -6.001 1.00 0.00 O ATOM 626 CB SER A 43 8.005 6.109 -5.610 1.00 0.00 C ATOM 627 OG SER A 43 9.111 6.847 -6.117 1.00 0.00 O ATOM 0 H SER A 43 7.685 8.473 -5.181 1.00 0.00 H new ATOM 0 HA SER A 43 6.513 6.811 -7.015 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.103 5.998 -4.530 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.008 5.105 -6.035 1.00 0.00 H new ATOM 0 HG SER A 43 9.930 6.563 -5.661 1.00 0.00 H new ATOM 633 N MET A 44 5.452 6.073 -3.973 1.00 0.00 N ATOM 634 CA MET A 44 4.399 5.379 -3.236 1.00 0.00 C ATOM 635 C MET A 44 3.022 5.925 -3.594 1.00 0.00 C ATOM 636 O MET A 44 2.136 5.166 -3.963 1.00 0.00 O ATOM 637 CB MET A 44 4.640 5.459 -1.724 1.00 0.00 C ATOM 638 CG MET A 44 4.805 6.871 -1.188 1.00 0.00 C ATOM 639 SD MET A 44 5.540 6.921 0.460 1.00 0.00 S ATOM 640 CE MET A 44 4.619 5.646 1.310 1.00 0.00 C ATOM 0 H MET A 44 6.117 6.575 -3.384 1.00 0.00 H new ATOM 0 HA MET A 44 4.429 4.329 -3.528 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.805 4.984 -1.210 1.00 0.00 H new ATOM 0 HB3 MET A 44 5.533 4.884 -1.480 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.428 7.444 -1.875 1.00 0.00 H new ATOM 0 HG3 MET A 44 3.831 7.359 -1.160 1.00 0.00 H new ATOM 0 HE1 MET A 44 4.639 5.836 2.383 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.587 5.649 0.961 1.00 0.00 H new ATOM 0 HE3 MET A 44 5.069 4.674 1.105 1.00 0.00 H new ATOM 650 N VAL A 45 2.852 7.238 -3.538 1.00 0.00 N ATOM 651 CA VAL A 45 1.557 7.836 -3.841 1.00 0.00 C ATOM 652 C VAL A 45 1.126 7.511 -5.273 1.00 0.00 C ATOM 653 O VAL A 45 -0.055 7.446 -5.571 1.00 0.00 O ATOM 654 CB VAL A 45 1.579 9.368 -3.625 1.00 0.00 C ATOM 655 CG1 VAL A 45 0.249 10.001 -4.003 1.00 0.00 C ATOM 656 CG2 VAL A 45 1.914 9.688 -2.178 1.00 0.00 C ATOM 0 H VAL A 45 3.584 7.904 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 45 0.830 7.405 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 45 2.348 9.786 -4.274 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.299 11.077 -3.839 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.038 9.803 -5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.544 9.577 -3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.927 10.769 -2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.162 9.246 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.894 9.279 -1.932 1.00 0.00 H new ATOM 666 N GLU A 46 2.081 7.244 -6.145 1.00 0.00 N ATOM 667 CA GLU A 46 1.767 7.009 -7.543 1.00 0.00 C ATOM 668 C GLU A 46 1.116 5.643 -7.741 1.00 0.00 C ATOM 669 O GLU A 46 -0.079 5.546 -8.059 1.00 0.00 O ATOM 670 CB GLU A 46 3.046 7.118 -8.381 1.00 0.00 C ATOM 671 CG GLU A 46 2.873 6.768 -9.848 1.00 0.00 C ATOM 672 CD GLU A 46 1.999 7.755 -10.588 1.00 0.00 C ATOM 673 OE1 GLU A 46 2.497 8.841 -10.947 1.00 0.00 O ATOM 674 OE2 GLU A 46 0.820 7.437 -10.842 1.00 0.00 O ATOM 0 H GLU A 46 3.073 7.185 -5.913 1.00 0.00 H new ATOM 0 HA GLU A 46 1.054 7.766 -7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.428 8.136 -8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.803 6.462 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.852 6.728 -10.325 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.438 5.772 -9.930 1.00 0.00 H new ATOM 681 N VAL A 47 1.859 4.577 -7.489 1.00 0.00 N ATOM 682 CA VAL A 47 1.346 3.267 -7.811 1.00 0.00 C ATOM 683 C VAL A 47 0.541 2.691 -6.649 1.00 0.00 C ATOM 684 O VAL A 47 -0.325 1.845 -6.853 1.00 0.00 O ATOM 685 CB VAL A 47 2.470 2.305 -8.237 1.00 0.00 C ATOM 686 CG1 VAL A 47 1.890 1.057 -8.883 1.00 0.00 C ATOM 687 CG2 VAL A 47 3.430 2.995 -9.194 1.00 0.00 C ATOM 0 H VAL A 47 2.791 4.595 -7.075 1.00 0.00 H new ATOM 0 HA VAL A 47 0.675 3.381 -8.662 1.00 0.00 H new ATOM 0 HB VAL A 47 3.022 2.009 -7.345 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.700 0.390 -9.177 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.240 0.547 -8.171 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.313 1.338 -9.764 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.217 2.299 -9.484 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.888 3.320 -10.082 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.874 3.861 -8.703 1.00 0.00 H new ATOM 697 N VAL A 48 0.774 3.179 -5.435 1.00 0.00 N ATOM 698 CA VAL A 48 0.019 2.680 -4.287 1.00 0.00 C ATOM 699 C VAL A 48 -1.365 3.332 -4.244 1.00 0.00 C ATOM 700 O VAL A 48 -2.321 2.734 -3.756 1.00 0.00 O ATOM 701 CB VAL A 48 0.765 2.874 -2.944 1.00 0.00 C ATOM 702 CG1 VAL A 48 0.031 2.192 -1.794 1.00 0.00 C ATOM 703 CG2 VAL A 48 2.184 2.336 -3.046 1.00 0.00 C ATOM 0 H VAL A 48 1.461 3.902 -5.221 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.094 1.604 -4.420 1.00 0.00 H new ATOM 0 HB VAL A 48 0.800 3.943 -2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.582 2.348 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.968 2.616 -1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.046 1.123 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.697 2.479 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.154 1.273 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.720 2.870 -3.831 1.00 0.00 H new ATOM 713 N VAL A 49 -1.484 4.543 -4.788 1.00 0.00 N ATOM 714 CA VAL A 49 -2.805 5.132 -5.003 1.00 0.00 C ATOM 715 C VAL A 49 -3.527 4.367 -6.109 1.00 0.00 C ATOM 716 O VAL A 49 -4.743 4.174 -6.068 1.00 0.00 O ATOM 717 CB VAL A 49 -2.732 6.640 -5.344 1.00 0.00 C ATOM 718 CG1 VAL A 49 -3.960 7.106 -6.117 1.00 0.00 C ATOM 719 CG2 VAL A 49 -2.591 7.458 -4.072 1.00 0.00 C ATOM 0 H VAL A 49 -0.700 5.125 -5.082 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.363 5.050 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.858 6.790 -5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.870 8.170 -6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.036 6.548 -7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.854 6.934 -5.518 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.541 8.517 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.451 7.279 -3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.680 7.166 -3.550 1.00 0.00 H new ATOM 729 N ALA A 50 -2.769 3.902 -7.094 1.00 0.00 N ATOM 730 CA ALA A 50 -3.323 2.997 -8.088 1.00 0.00 C ATOM 731 C ALA A 50 -3.794 1.698 -7.423 1.00 0.00 C ATOM 732 O ALA A 50 -4.698 1.028 -7.919 1.00 0.00 O ATOM 733 CB ALA A 50 -2.295 2.705 -9.169 1.00 0.00 C ATOM 0 H ALA A 50 -1.784 4.133 -7.224 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.184 3.475 -8.554 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.725 2.026 -9.906 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.007 3.636 -9.658 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.416 2.244 -8.720 1.00 0.00 H new ATOM 739 N ALA A 51 -3.181 1.357 -6.286 1.00 0.00 N ATOM 740 CA ALA A 51 -3.537 0.146 -5.548 1.00 0.00 C ATOM 741 C ALA A 51 -4.779 0.341 -4.701 1.00 0.00 C ATOM 742 O ALA A 51 -5.575 -0.581 -4.550 1.00 0.00 O ATOM 743 CB ALA A 51 -2.394 -0.315 -4.661 1.00 0.00 C ATOM 0 H ALA A 51 -2.435 1.905 -5.858 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.744 -0.619 -6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.690 -1.217 -4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.520 -0.528 -5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.151 0.469 -3.944 1.00 0.00 H new ATOM 749 N GLU A 52 -4.949 1.529 -4.140 1.00 0.00 N ATOM 750 CA GLU A 52 -6.094 1.781 -3.297 1.00 0.00 C ATOM 751 C GLU A 52 -7.354 1.831 -4.157 1.00 0.00 C ATOM 752 O GLU A 52 -8.308 1.080 -3.937 1.00 0.00 O ATOM 753 CB GLU A 52 -5.910 3.067 -2.473 1.00 0.00 C ATOM 754 CG GLU A 52 -5.690 4.318 -3.294 1.00 0.00 C ATOM 755 CD GLU A 52 -5.579 5.557 -2.440 1.00 0.00 C ATOM 756 OE1 GLU A 52 -4.477 5.828 -1.928 1.00 0.00 O ATOM 757 OE2 GLU A 52 -6.596 6.262 -2.281 1.00 0.00 O ATOM 0 H GLU A 52 -4.315 2.320 -4.254 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.196 0.967 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.791 3.210 -1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.061 2.935 -1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.781 4.206 -3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.515 4.437 -3.997 1.00 0.00 H new ATOM 764 N GLU A 53 -7.324 2.654 -5.191 1.00 0.00 N ATOM 765 CA GLU A 53 -8.491 2.864 -6.022 1.00 0.00 C ATOM 766 C GLU A 53 -8.890 1.606 -6.798 1.00 0.00 C ATOM 767 O GLU A 53 -10.033 1.482 -7.238 1.00 0.00 O ATOM 768 CB GLU A 53 -8.257 4.006 -6.991 1.00 0.00 C ATOM 769 CG GLU A 53 -7.870 5.321 -6.337 1.00 0.00 C ATOM 770 CD GLU A 53 -8.007 6.488 -7.295 1.00 0.00 C ATOM 771 OE1 GLU A 53 -7.168 6.613 -8.213 1.00 0.00 O ATOM 772 OE2 GLU A 53 -8.980 7.261 -7.163 1.00 0.00 O ATOM 0 H GLU A 53 -6.502 3.187 -5.473 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.312 3.114 -5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.471 3.717 -7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.163 4.160 -7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.500 5.492 -5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.841 5.261 -5.982 1.00 0.00 H new ATOM 779 N ARG A 54 -7.966 0.667 -6.974 1.00 0.00 N ATOM 780 CA ARG A 54 -8.280 -0.554 -7.712 1.00 0.00 C ATOM 781 C ARG A 54 -9.201 -1.460 -6.886 1.00 0.00 C ATOM 782 O ARG A 54 -9.659 -2.498 -7.356 1.00 0.00 O ATOM 783 CB ARG A 54 -7.003 -1.292 -8.129 1.00 0.00 C ATOM 784 CG ARG A 54 -6.348 -2.094 -7.020 1.00 0.00 C ATOM 785 CD ARG A 54 -4.976 -2.606 -7.432 1.00 0.00 C ATOM 786 NE ARG A 54 -5.011 -3.336 -8.698 1.00 0.00 N ATOM 787 CZ ARG A 54 -4.068 -4.187 -9.092 1.00 0.00 C ATOM 788 NH1 ARG A 54 -3.006 -4.426 -8.334 1.00 0.00 N ATOM 789 NH2 ARG A 54 -4.186 -4.804 -10.253 1.00 0.00 N ATOM 0 H ARG A 54 -7.010 0.724 -6.623 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.808 -0.275 -8.623 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.240 -1.963 -8.954 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.285 -0.564 -8.506 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.252 -1.473 -6.129 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.986 -2.937 -6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.288 -1.765 -7.520 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.585 -3.257 -6.651 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.807 -3.183 -9.317 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.904 -3.954 -7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.291 -5.081 -8.650 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.998 -4.627 -10.844 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.465 -5.457 -10.559 1.00 0.00 H new ATOM 803 N PHE A 55 -9.456 -1.052 -5.644 1.00 0.00 N ATOM 804 CA PHE A 55 -10.435 -1.717 -4.792 1.00 0.00 C ATOM 805 C PHE A 55 -11.533 -0.729 -4.399 1.00 0.00 C ATOM 806 O PHE A 55 -12.338 -0.990 -3.506 1.00 0.00 O ATOM 807 CB PHE A 55 -9.758 -2.289 -3.541 1.00 0.00 C ATOM 808 CG PHE A 55 -8.712 -3.327 -3.844 1.00 0.00 C ATOM 809 CD1 PHE A 55 -9.077 -4.588 -4.294 1.00 0.00 C ATOM 810 CD2 PHE A 55 -7.365 -3.046 -3.679 1.00 0.00 C ATOM 811 CE1 PHE A 55 -8.121 -5.544 -4.574 1.00 0.00 C ATOM 812 CE2 PHE A 55 -6.405 -4.001 -3.958 1.00 0.00 C ATOM 813 CZ PHE A 55 -6.783 -5.251 -4.406 1.00 0.00 C ATOM 0 H PHE A 55 -8.993 -0.257 -5.204 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.882 -2.543 -5.346 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.298 -1.474 -2.982 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.518 -2.729 -2.896 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.122 -4.825 -4.427 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.062 -2.070 -3.329 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.420 -6.521 -4.924 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.359 -3.769 -3.825 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.034 -5.997 -4.624 1.00 0.00 H new ATOM 823 N ASP A 56 -11.539 0.406 -5.101 1.00 0.00 N ATOM 824 CA ASP A 56 -12.488 1.506 -4.888 1.00 0.00 C ATOM 825 C ASP A 56 -12.397 2.063 -3.474 1.00 0.00 C ATOM 826 O ASP A 56 -13.405 2.364 -2.832 1.00 0.00 O ATOM 827 CB ASP A 56 -13.927 1.099 -5.202 1.00 0.00 C ATOM 828 CG ASP A 56 -14.764 2.285 -5.670 1.00 0.00 C ATOM 829 OD1 ASP A 56 -14.602 3.404 -5.129 1.00 0.00 O ATOM 830 OD2 ASP A 56 -15.575 2.110 -6.602 1.00 0.00 O ATOM 0 H ASP A 56 -10.871 0.592 -5.849 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.203 2.292 -5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.926 0.328 -5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.383 0.661 -4.314 1.00 0.00 H new ATOM 835 N VAL A 57 -11.181 2.209 -2.993 1.00 0.00 N ATOM 836 CA VAL A 57 -10.940 2.964 -1.783 1.00 0.00 C ATOM 837 C VAL A 57 -10.111 4.180 -2.154 1.00 0.00 C ATOM 838 O VAL A 57 -9.214 4.089 -2.986 1.00 0.00 O ATOM 839 CB VAL A 57 -10.240 2.124 -0.690 1.00 0.00 C ATOM 840 CG1 VAL A 57 -8.894 1.631 -1.170 1.00 0.00 C ATOM 841 CG2 VAL A 57 -10.087 2.920 0.600 1.00 0.00 C ATOM 0 H VAL A 57 -10.344 1.814 -3.422 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.895 3.267 -1.354 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.869 1.259 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.421 1.043 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.029 1.011 -2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.261 2.483 -1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.592 2.304 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.489 3.811 0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.071 3.215 0.964 1.00 0.00 H new ATOM 851 N LYS A 58 -10.452 5.322 -1.595 1.00 0.00 N ATOM 852 CA LYS A 58 -9.808 6.564 -1.987 1.00 0.00 C ATOM 853 C LYS A 58 -9.419 7.389 -0.774 1.00 0.00 C ATOM 854 O LYS A 58 -10.270 7.800 0.021 1.00 0.00 O ATOM 855 CB LYS A 58 -10.734 7.352 -2.917 1.00 0.00 C ATOM 856 CG LYS A 58 -12.198 7.286 -2.508 1.00 0.00 C ATOM 857 CD LYS A 58 -13.109 7.788 -3.612 1.00 0.00 C ATOM 858 CE LYS A 58 -14.565 7.463 -3.324 1.00 0.00 C ATOM 859 NZ LYS A 58 -14.811 5.994 -3.249 1.00 0.00 N ATOM 0 H LYS A 58 -11.166 5.419 -0.873 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.889 6.328 -2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.416 8.394 -2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.630 6.968 -3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.461 6.258 -2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.352 7.882 -1.609 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.990 8.866 -3.721 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.815 7.338 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.860 7.927 -2.383 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.193 7.895 -4.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.818 5.801 -3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.235 5.509 -3.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.552 5.646 -2.304 1.00 0.00 H new ATOM 873 N ILE A 59 -8.127 7.612 -0.631 1.00 0.00 N ATOM 874 CA ILE A 59 -7.598 8.400 0.460 1.00 0.00 C ATOM 875 C ILE A 59 -6.923 9.651 -0.093 1.00 0.00 C ATOM 876 O ILE A 59 -6.673 9.744 -1.296 1.00 0.00 O ATOM 877 CB ILE A 59 -6.573 7.591 1.303 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.195 7.559 0.633 1.00 0.00 C ATOM 879 CG2 ILE A 59 -7.067 6.165 1.529 1.00 0.00 C ATOM 880 CD1 ILE A 59 -4.150 6.838 1.459 1.00 0.00 C ATOM 0 H ILE A 59 -7.417 7.251 -1.268 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.429 8.677 1.109 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.476 8.094 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.281 7.072 -0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.863 8.581 0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.335 5.616 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -8.019 6.189 2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.201 5.670 0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.197 6.850 0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.038 7.338 2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.462 5.806 1.621 1.00 0.00 H new ATOM 892 N PRO A 60 -6.646 10.648 0.757 1.00 0.00 N ATOM 893 CA PRO A 60 -5.862 11.806 0.346 1.00 0.00 C ATOM 894 C PRO A 60 -4.457 11.390 -0.079 1.00 0.00 C ATOM 895 O PRO A 60 -3.806 10.593 0.600 1.00 0.00 O ATOM 896 CB PRO A 60 -5.812 12.680 1.603 1.00 0.00 C ATOM 897 CG PRO A 60 -6.951 12.214 2.441 1.00 0.00 C ATOM 898 CD PRO A 60 -7.088 10.747 2.158 1.00 0.00 C ATOM 0 HA PRO A 60 -6.294 12.322 -0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.863 12.564 2.127 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.912 13.736 1.354 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.758 12.393 3.499 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.867 12.749 2.189 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.467 10.146 2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.115 10.404 2.284 1.00 0.00 H new ATOM 906 N ASP A 61 -4.000 11.926 -1.204 1.00 0.00 N ATOM 907 CA ASP A 61 -2.686 11.585 -1.761 1.00 0.00 C ATOM 908 C ASP A 61 -1.589 11.751 -0.717 1.00 0.00 C ATOM 909 O ASP A 61 -0.684 10.918 -0.595 1.00 0.00 O ATOM 910 CB ASP A 61 -2.371 12.484 -2.962 1.00 0.00 C ATOM 911 CG ASP A 61 -3.439 12.432 -4.033 1.00 0.00 C ATOM 912 OD1 ASP A 61 -4.542 12.975 -3.804 1.00 0.00 O ATOM 913 OD2 ASP A 61 -3.178 11.870 -5.112 1.00 0.00 O ATOM 0 H ASP A 61 -4.522 12.606 -1.757 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.720 10.542 -2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.257 13.512 -2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.416 12.184 -3.393 1.00 0.00 H new ATOM 918 N ASP A 62 -1.696 12.825 0.054 1.00 0.00 N ATOM 919 CA ASP A 62 -0.688 13.175 1.047 1.00 0.00 C ATOM 920 C ASP A 62 -0.614 12.124 2.155 1.00 0.00 C ATOM 921 O ASP A 62 0.397 12.007 2.843 1.00 0.00 O ATOM 922 CB ASP A 62 -0.998 14.550 1.642 1.00 0.00 C ATOM 923 CG ASP A 62 0.175 15.136 2.402 1.00 0.00 C ATOM 924 OD1 ASP A 62 1.251 15.318 1.789 1.00 0.00 O ATOM 925 OD2 ASP A 62 0.026 15.434 3.605 1.00 0.00 O ATOM 0 H ASP A 62 -2.480 13.476 0.010 1.00 0.00 H new ATOM 0 HA ASP A 62 0.282 13.208 0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.284 15.232 0.841 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.854 14.467 2.311 1.00 0.00 H new ATOM 930 N ASP A 63 -1.677 11.339 2.304 1.00 0.00 N ATOM 931 CA ASP A 63 -1.734 10.327 3.353 1.00 0.00 C ATOM 932 C ASP A 63 -0.813 9.153 3.050 1.00 0.00 C ATOM 933 O ASP A 63 -0.123 8.671 3.949 1.00 0.00 O ATOM 934 CB ASP A 63 -3.165 9.831 3.572 1.00 0.00 C ATOM 935 CG ASP A 63 -3.872 10.582 4.687 1.00 0.00 C ATOM 936 OD1 ASP A 63 -4.440 11.662 4.426 1.00 0.00 O ATOM 937 OD2 ASP A 63 -3.852 10.099 5.840 1.00 0.00 O ATOM 0 H ASP A 63 -2.508 11.384 1.714 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.389 10.803 4.271 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.731 9.942 2.647 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.146 8.767 3.809 1.00 0.00 H new ATOM 942 N VAL A 64 -0.780 8.699 1.790 1.00 0.00 N ATOM 943 CA VAL A 64 0.104 7.589 1.415 1.00 0.00 C ATOM 944 C VAL A 64 1.547 7.970 1.712 1.00 0.00 C ATOM 945 O VAL A 64 2.300 7.195 2.279 1.00 0.00 O ATOM 946 CB VAL A 64 -0.007 7.185 -0.082 1.00 0.00 C ATOM 947 CG1 VAL A 64 0.886 5.985 -0.381 1.00 0.00 C ATOM 948 CG2 VAL A 64 -1.449 6.875 -0.465 1.00 0.00 C ATOM 0 H VAL A 64 -1.343 9.075 1.027 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.212 6.729 2.005 1.00 0.00 H new ATOM 0 HB VAL A 64 0.329 8.032 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.795 5.717 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.923 6.239 -0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.579 5.141 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.494 6.596 -1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.818 6.051 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.068 7.756 -0.297 1.00 0.00 H new ATOM 958 N LYS A 65 1.899 9.195 1.363 1.00 0.00 N ATOM 959 CA LYS A 65 3.256 9.700 1.546 1.00 0.00 C ATOM 960 C LYS A 65 3.636 9.803 3.029 1.00 0.00 C ATOM 961 O LYS A 65 4.817 9.791 3.384 1.00 0.00 O ATOM 962 CB LYS A 65 3.368 11.058 0.820 1.00 0.00 C ATOM 963 CG LYS A 65 4.188 12.137 1.518 1.00 0.00 C ATOM 964 CD LYS A 65 3.410 12.794 2.651 1.00 0.00 C ATOM 965 CE LYS A 65 4.054 14.096 3.092 1.00 0.00 C ATOM 966 NZ LYS A 65 3.871 15.170 2.077 1.00 0.00 N ATOM 0 H LYS A 65 1.257 9.869 0.946 1.00 0.00 H new ATOM 0 HA LYS A 65 3.968 8.998 1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.802 10.884 -0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.361 11.444 0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.105 11.699 1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.484 12.895 0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.387 12.985 2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.354 12.110 3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.621 14.414 4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.118 13.936 3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.007 16.098 2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.567 15.049 1.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.911 15.114 1.682 1.00 0.00 H new ATOM 980 N ASN A 66 2.633 9.889 3.892 1.00 0.00 N ATOM 981 CA ASN A 66 2.872 10.144 5.307 1.00 0.00 C ATOM 982 C ASN A 66 2.968 8.840 6.102 1.00 0.00 C ATOM 983 O ASN A 66 3.485 8.824 7.219 1.00 0.00 O ATOM 984 CB ASN A 66 1.771 11.050 5.875 1.00 0.00 C ATOM 985 CG ASN A 66 2.095 11.581 7.262 1.00 0.00 C ATOM 986 OD1 ASN A 66 2.804 12.578 7.407 1.00 0.00 O ATOM 987 ND2 ASN A 66 1.558 10.938 8.288 1.00 0.00 N ATOM 0 H ASN A 66 1.650 9.787 3.639 1.00 0.00 H new ATOM 0 HA ASN A 66 3.830 10.655 5.402 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.614 11.890 5.198 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.835 10.493 5.915 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.726 11.265 9.239 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.976 10.116 8.127 1.00 0.00 H new ATOM 994 N LEU A 67 2.482 7.745 5.533 1.00 0.00 N ATOM 995 CA LEU A 67 2.585 6.453 6.201 1.00 0.00 C ATOM 996 C LEU A 67 3.900 5.772 5.854 1.00 0.00 C ATOM 997 O LEU A 67 4.264 5.634 4.688 1.00 0.00 O ATOM 998 CB LEU A 67 1.370 5.562 5.893 1.00 0.00 C ATOM 999 CG LEU A 67 0.902 5.538 4.437 1.00 0.00 C ATOM 1000 CD1 LEU A 67 1.559 4.410 3.663 1.00 0.00 C ATOM 1001 CD2 LEU A 67 -0.614 5.415 4.367 1.00 0.00 C ATOM 0 H LEU A 67 2.019 7.723 4.624 1.00 0.00 H new ATOM 0 HA LEU A 67 2.580 6.624 7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.609 4.542 6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.538 5.891 6.515 1.00 0.00 H new ATOM 0 HG LEU A 67 1.201 6.479 3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.205 4.421 2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.641 4.542 3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.304 3.456 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.930 5.399 3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.927 4.492 4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.072 6.266 4.872 1.00 0.00 H new ATOM 1013 N LYS A 68 4.616 5.354 6.888 1.00 0.00 N ATOM 1014 CA LYS A 68 5.979 4.876 6.731 1.00 0.00 C ATOM 1015 C LYS A 68 6.054 3.373 6.492 1.00 0.00 C ATOM 1016 O LYS A 68 7.120 2.852 6.188 1.00 0.00 O ATOM 1017 CB LYS A 68 6.795 5.260 7.958 1.00 0.00 C ATOM 1018 CG LYS A 68 7.040 6.755 8.049 1.00 0.00 C ATOM 1019 CD LYS A 68 7.491 7.154 9.434 1.00 0.00 C ATOM 1020 CE LYS A 68 7.703 8.655 9.551 1.00 0.00 C ATOM 1021 NZ LYS A 68 8.068 9.060 10.935 1.00 0.00 N ATOM 0 H LYS A 68 4.272 5.337 7.848 1.00 0.00 H new ATOM 0 HA LYS A 68 6.394 5.352 5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.275 4.925 8.855 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.752 4.739 7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.796 7.047 7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.126 7.292 7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.747 6.834 10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.419 6.636 9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.490 8.965 8.863 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.793 9.174 9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.203 10.091 10.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.306 8.788 11.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.950 8.585 11.215 1.00 0.00 H new ATOM 1035 N THR A 69 4.938 2.669 6.624 1.00 0.00 N ATOM 1036 CA THR A 69 4.943 1.223 6.426 1.00 0.00 C ATOM 1037 C THR A 69 3.850 0.819 5.449 1.00 0.00 C ATOM 1038 O THR A 69 2.868 1.541 5.262 1.00 0.00 O ATOM 1039 CB THR A 69 4.744 0.442 7.749 1.00 0.00 C ATOM 1040 OG1 THR A 69 3.372 0.494 8.142 1.00 0.00 O ATOM 1041 CG2 THR A 69 5.607 1.012 8.863 1.00 0.00 C ATOM 0 H THR A 69 4.030 3.066 6.864 1.00 0.00 H new ATOM 0 HA THR A 69 5.924 0.968 6.026 1.00 0.00 H new ATOM 0 HB THR A 69 5.043 -0.592 7.575 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.290 1.003 8.975 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.444 0.442 9.778 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.657 0.949 8.578 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.339 2.055 9.033 1.00 0.00 H new ATOM 1049 N VAL A 70 4.023 -0.337 4.826 1.00 0.00 N ATOM 1050 CA VAL A 70 3.006 -0.880 3.941 1.00 0.00 C ATOM 1051 C VAL A 70 1.865 -1.482 4.760 1.00 0.00 C ATOM 1052 O VAL A 70 0.743 -1.644 4.274 1.00 0.00 O ATOM 1053 CB VAL A 70 3.618 -1.918 2.967 1.00 0.00 C ATOM 1054 CG1 VAL A 70 4.572 -2.842 3.689 1.00 0.00 C ATOM 1055 CG2 VAL A 70 2.536 -2.715 2.256 1.00 0.00 C ATOM 0 H VAL A 70 4.858 -0.916 4.917 1.00 0.00 H new ATOM 0 HA VAL A 70 2.598 -0.071 3.336 1.00 0.00 H new ATOM 0 HB VAL A 70 4.180 -1.368 2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.987 -3.561 2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.380 -2.258 4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.038 -3.374 4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.999 -3.434 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.932 -3.245 2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.901 -2.038 1.685 1.00 0.00 H new ATOM 1065 N GLY A 71 2.144 -1.765 6.024 1.00 0.00 N ATOM 1066 CA GLY A 71 1.129 -2.304 6.898 1.00 0.00 C ATOM 1067 C GLY A 71 0.143 -1.245 7.348 1.00 0.00 C ATOM 1068 O GLY A 71 -1.067 -1.484 7.377 1.00 0.00 O ATOM 0 H GLY A 71 3.057 -1.630 6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.594 -3.101 6.383 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.604 -2.751 7.771 1.00 0.00 H new ATOM 1072 N ASP A 72 0.662 -0.071 7.698 1.00 0.00 N ATOM 1073 CA ASP A 72 -0.187 1.071 8.011 1.00 0.00 C ATOM 1074 C ASP A 72 -1.042 1.407 6.807 1.00 0.00 C ATOM 1075 O ASP A 72 -2.214 1.735 6.941 1.00 0.00 O ATOM 1076 CB ASP A 72 0.644 2.297 8.408 1.00 0.00 C ATOM 1077 CG ASP A 72 1.205 2.199 9.812 1.00 0.00 C ATOM 1078 OD1 ASP A 72 0.414 2.257 10.776 1.00 0.00 O ATOM 1079 OD2 ASP A 72 2.440 2.067 9.956 1.00 0.00 O ATOM 0 H ASP A 72 1.663 0.112 7.771 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.819 0.803 8.858 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.465 2.417 7.702 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.024 3.190 8.331 1.00 0.00 H new ATOM 1084 N ALA A 73 -0.436 1.306 5.627 1.00 0.00 N ATOM 1085 CA ALA A 73 -1.139 1.536 4.373 1.00 0.00 C ATOM 1086 C ALA A 73 -2.332 0.614 4.234 1.00 0.00 C ATOM 1087 O ALA A 73 -3.458 1.063 4.046 1.00 0.00 O ATOM 1088 CB ALA A 73 -0.218 1.312 3.194 1.00 0.00 C ATOM 0 H ALA A 73 0.549 1.064 5.516 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.482 2.570 4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.764 1.489 2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.626 1.999 3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.149 0.286 3.209 1.00 0.00 H new ATOM 1094 N THR A 74 -2.069 -0.681 4.312 1.00 0.00 N ATOM 1095 CA THR A 74 -3.110 -1.673 4.147 1.00 0.00 C ATOM 1096 C THR A 74 -4.208 -1.503 5.177 1.00 0.00 C ATOM 1097 O THR A 74 -5.369 -1.432 4.818 1.00 0.00 O ATOM 1098 CB THR A 74 -2.555 -3.099 4.219 1.00 0.00 C ATOM 1099 OG1 THR A 74 -1.380 -3.121 5.029 1.00 0.00 O ATOM 1100 CG2 THR A 74 -2.242 -3.622 2.834 1.00 0.00 C ATOM 0 H THR A 74 -1.141 -1.066 4.489 1.00 0.00 H new ATOM 0 HA THR A 74 -3.531 -1.516 3.154 1.00 0.00 H new ATOM 0 HB THR A 74 -3.311 -3.744 4.666 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.609 -2.837 4.495 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.849 -4.636 2.908 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.152 -3.628 2.233 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.500 -2.979 2.361 1.00 0.00 H new ATOM 1108 N LYS A 75 -3.844 -1.410 6.447 1.00 0.00 N ATOM 1109 CA LYS A 75 -4.834 -1.260 7.504 1.00 0.00 C ATOM 1110 C LYS A 75 -5.616 0.044 7.332 1.00 0.00 C ATOM 1111 O LYS A 75 -6.822 0.084 7.569 1.00 0.00 O ATOM 1112 CB LYS A 75 -4.169 -1.309 8.877 1.00 0.00 C ATOM 1113 CG LYS A 75 -4.788 -2.335 9.815 1.00 0.00 C ATOM 1114 CD LYS A 75 -4.557 -3.767 9.331 1.00 0.00 C ATOM 1115 CE LYS A 75 -5.005 -4.790 10.364 1.00 0.00 C ATOM 1116 NZ LYS A 75 -4.300 -4.617 11.662 1.00 0.00 N ATOM 0 H LYS A 75 -2.877 -1.435 6.770 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.535 -2.092 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.110 -1.536 8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.231 -0.323 9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.364 -2.217 10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.859 -2.149 9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.100 -3.928 8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.499 -3.911 9.112 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.080 -4.700 10.521 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.821 -5.794 9.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.991 -5.545 12.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.471 -4.004 11.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.945 -4.181 12.352 1.00 0.00 H new ATOM 1130 N TYR A 76 -4.928 1.101 6.901 1.00 0.00 N ATOM 1131 CA TYR A 76 -5.576 2.376 6.604 1.00 0.00 C ATOM 1132 C TYR A 76 -6.553 2.198 5.444 1.00 0.00 C ATOM 1133 O TYR A 76 -7.663 2.738 5.461 1.00 0.00 O ATOM 1134 CB TYR A 76 -4.520 3.432 6.263 1.00 0.00 C ATOM 1135 CG TYR A 76 -5.067 4.830 6.080 1.00 0.00 C ATOM 1136 CD1 TYR A 76 -5.240 5.674 7.169 1.00 0.00 C ATOM 1137 CD2 TYR A 76 -5.398 5.306 4.819 1.00 0.00 C ATOM 1138 CE1 TYR A 76 -5.736 6.953 7.005 1.00 0.00 C ATOM 1139 CE2 TYR A 76 -5.892 6.584 4.650 1.00 0.00 C ATOM 1140 CZ TYR A 76 -6.057 7.402 5.742 1.00 0.00 C ATOM 1141 OH TYR A 76 -6.550 8.673 5.569 1.00 0.00 O ATOM 0 H TYR A 76 -3.919 1.098 6.750 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.130 2.713 7.480 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.772 3.449 7.056 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.008 3.133 5.348 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.983 5.326 8.158 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.267 4.668 3.958 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.871 7.597 7.861 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.148 6.940 3.663 1.00 0.00 H new ATOM 0 HH TYR A 76 -6.724 8.830 4.617 1.00 0.00 H new ATOM 1151 N ILE A 77 -6.131 1.428 4.443 1.00 0.00 N ATOM 1152 CA ILE A 77 -7.000 1.058 3.337 1.00 0.00 C ATOM 1153 C ILE A 77 -8.176 0.237 3.839 1.00 0.00 C ATOM 1154 O ILE A 77 -9.321 0.568 3.577 1.00 0.00 O ATOM 1155 CB ILE A 77 -6.251 0.256 2.248 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -5.421 1.200 1.385 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -7.236 -0.531 1.384 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.560 0.489 0.363 1.00 0.00 C ATOM 0 H ILE A 77 -5.186 1.048 4.379 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.356 1.987 2.891 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.584 -0.455 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.090 1.889 0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.781 1.801 2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.689 -1.088 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -7.795 -1.226 2.011 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.928 0.159 0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.998 1.224 -0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.866 -0.179 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.195 -0.090 -0.307 1.00 0.00 H new ATOM 1170 N LEU A 78 -7.863 -0.813 4.582 1.00 0.00 N ATOM 1171 CA LEU A 78 -8.849 -1.773 5.055 1.00 0.00 C ATOM 1172 C LEU A 78 -9.897 -1.104 5.935 1.00 0.00 C ATOM 1173 O LEU A 78 -11.071 -1.474 5.906 1.00 0.00 O ATOM 1174 CB LEU A 78 -8.138 -2.897 5.818 1.00 0.00 C ATOM 1175 CG LEU A 78 -7.066 -3.649 5.013 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -6.405 -4.710 5.878 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.678 -4.280 3.772 1.00 0.00 C ATOM 0 H LEU A 78 -6.910 -1.025 4.876 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.369 -2.193 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.673 -2.474 6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.885 -3.614 6.159 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.305 -2.936 4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.648 -5.235 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.935 -4.236 6.740 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.157 -5.421 6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.905 -4.808 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.457 -4.983 4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.111 -3.502 3.144 1.00 0.00 H new ATOM 1189 N ASP A 79 -9.472 -0.113 6.704 1.00 0.00 N ATOM 1190 CA ASP A 79 -10.383 0.650 7.548 1.00 0.00 C ATOM 1191 C ASP A 79 -11.322 1.500 6.692 1.00 0.00 C ATOM 1192 O ASP A 79 -12.500 1.652 7.006 1.00 0.00 O ATOM 1193 CB ASP A 79 -9.591 1.542 8.503 1.00 0.00 C ATOM 1194 CG ASP A 79 -10.482 2.339 9.433 1.00 0.00 C ATOM 1195 OD1 ASP A 79 -10.987 1.765 10.418 1.00 0.00 O ATOM 1196 OD2 ASP A 79 -10.661 3.553 9.199 1.00 0.00 O ATOM 0 H ASP A 79 -8.498 0.184 6.762 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.983 -0.049 8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.916 0.924 9.095 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.972 2.227 7.924 1.00 0.00 H new ATOM 1201 N HIS A 80 -10.797 2.023 5.585 1.00 0.00 N ATOM 1202 CA HIS A 80 -11.571 2.898 4.701 1.00 0.00 C ATOM 1203 C HIS A 80 -12.120 2.132 3.498 1.00 0.00 C ATOM 1204 O HIS A 80 -12.669 2.730 2.574 1.00 0.00 O ATOM 1205 CB HIS A 80 -10.709 4.069 4.208 1.00 0.00 C ATOM 1206 CG HIS A 80 -10.336 5.053 5.275 1.00 0.00 C ATOM 1207 ND1 HIS A 80 -9.538 6.153 5.034 1.00 0.00 N ATOM 1208 CD2 HIS A 80 -10.658 5.107 6.587 1.00 0.00 C ATOM 1209 CE1 HIS A 80 -9.383 6.834 6.154 1.00 0.00 C ATOM 1210 NE2 HIS A 80 -10.053 6.221 7.111 1.00 0.00 N ATOM 0 H HIS A 80 -9.839 1.857 5.277 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.410 3.284 5.281 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -9.797 3.671 3.762 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -11.247 4.594 3.418 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -11.277 4.403 7.123 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -8.806 7.740 6.268 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -10.112 6.526 8.083 1.00 0.00 H new ATOM 1219 N GLN A 81 -11.963 0.813 3.519 1.00 0.00 N ATOM 1220 CA GLN A 81 -12.398 -0.035 2.415 1.00 0.00 C ATOM 1221 C GLN A 81 -13.917 -0.061 2.314 1.00 0.00 C ATOM 1222 O GLN A 81 -14.617 0.076 3.319 1.00 0.00 O ATOM 1223 CB GLN A 81 -11.857 -1.460 2.583 1.00 0.00 C ATOM 1224 CG GLN A 81 -10.527 -1.710 1.895 1.00 0.00 C ATOM 1225 CD GLN A 81 -10.624 -1.706 0.384 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -11.464 -1.028 -0.203 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -9.769 -2.482 -0.255 1.00 0.00 N ATOM 0 H GLN A 81 -11.535 0.305 4.293 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.998 0.386 1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.748 -1.671 3.647 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.592 -2.163 2.192 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.815 -0.947 2.208 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.130 -2.670 2.224 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.087 -3.029 0.270 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -9.790 -2.534 -1.273 1.00 0.00 H new ATOM 1236 N ALA A 82 -14.421 -0.247 1.105 1.00 0.00 N ATOM 1237 CA ALA A 82 -15.853 -0.232 0.871 1.00 0.00 C ATOM 1238 C ALA A 82 -16.414 -1.647 0.769 1.00 0.00 C ATOM 1239 O ALA A 82 -16.423 -2.213 -0.345 1.00 0.00 O ATOM 1240 CB ALA A 82 -16.164 0.560 -0.387 1.00 0.00 C ATOM 1241 OXT ALA A 82 -16.850 -2.191 1.806 1.00 0.00 O ATOM 0 H ALA A 82 -13.858 -0.410 0.270 1.00 0.00 H new ATOM 0 HA ALA A 82 -16.333 0.251 1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.241 0.567 -0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.809 1.584 -0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.666 0.099 -1.240 1.00 0.00 H new TER 1247 ALA A 82