USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 445 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0309 (180deg=0) USER MOD Single : A 2 SER OG : rot 47:sc= 0.51 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -129:sc= -0.0789 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -2.06! K(o=-2.1!,f=-1) USER MOD Single : A 17 THR OG1 : rot -35:sc= 0.554 USER MOD Single : A 19 MET CE :methyl 138:sc= -2.03! (180deg=-4.14!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -115:sc= -1.28! (180deg=-4.04!) USER MOD Single : A 26 SER OG : rot -70:sc= -0.0167 USER MOD Single : A 28 GLN : amide:sc= -0.0921 X(o=-0.092,f=-0.092) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -8.35! C(o=-8.3!,f=-14!) USER MOD Single : A 35 ASN : amide:sc= -3.03! C(o=-3!,f=-8.2!) USER MOD Single : A 36 ASN : amide:sc= 0.156 K(o=0.16,f=-2.2!) USER MOD Single : A 42 ASN : amide:sc= -8.16! K(o=-8.2!,f=-2.5) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -2.57! C(o=-2.6!,f=-4.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.1!) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc=-0.00978 (180deg=-0.161) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.690 12.388 15.493 1.00 0.00 N ATOM 2 CA GLY A 1 8.910 13.043 14.460 1.00 0.00 C ATOM 3 C GLY A 1 9.312 12.606 13.065 1.00 0.00 C ATOM 4 O GLY A 1 10.478 12.302 12.814 1.00 0.00 O ATOM 0 H1 GLY A 1 9.946 13.080 16.226 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.129 11.623 15.920 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.555 11.990 15.075 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.853 12.826 14.615 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.030 14.123 14.548 1.00 0.00 H new ATOM 8 N SER A 2 8.343 12.573 12.156 1.00 0.00 N ATOM 9 CA SER A 2 8.600 12.165 10.780 1.00 0.00 C ATOM 10 C SER A 2 9.349 13.256 10.020 1.00 0.00 C ATOM 11 O SER A 2 8.739 14.143 9.423 1.00 0.00 O ATOM 12 CB SER A 2 7.286 11.842 10.067 1.00 0.00 C ATOM 13 OG SER A 2 6.376 12.924 10.161 1.00 0.00 O ATOM 0 H SER A 2 7.373 12.824 12.348 1.00 0.00 H new ATOM 0 HA SER A 2 9.222 11.270 10.803 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.483 11.618 9.019 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.841 10.949 10.505 1.00 0.00 H new ATOM 0 HG SER A 2 6.839 13.760 9.945 1.00 0.00 H new ATOM 19 N SER A 3 10.676 13.183 10.048 1.00 0.00 N ATOM 20 CA SER A 3 11.510 14.166 9.365 1.00 0.00 C ATOM 21 C SER A 3 12.244 13.531 8.188 1.00 0.00 C ATOM 22 O SER A 3 13.370 13.055 8.328 1.00 0.00 O ATOM 23 CB SER A 3 12.518 14.775 10.341 1.00 0.00 C ATOM 24 OG SER A 3 13.065 15.977 9.825 1.00 0.00 O ATOM 0 H SER A 3 11.197 12.454 10.536 1.00 0.00 H new ATOM 0 HA SER A 3 10.862 14.955 8.983 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.030 14.974 11.295 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.319 14.061 10.535 1.00 0.00 H new ATOM 0 HG SER A 3 13.705 16.348 10.468 1.00 0.00 H new ATOM 30 N GLY A 4 11.597 13.529 7.027 1.00 0.00 N ATOM 31 CA GLY A 4 12.202 12.951 5.841 1.00 0.00 C ATOM 32 C GLY A 4 12.032 11.446 5.778 1.00 0.00 C ATOM 33 O GLY A 4 10.909 10.940 5.792 1.00 0.00 O ATOM 0 H GLY A 4 10.664 13.917 6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.757 13.401 4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.264 13.195 5.823 1.00 0.00 H new ATOM 37 N SER A 5 13.148 10.728 5.708 1.00 0.00 N ATOM 38 CA SER A 5 13.117 9.271 5.636 1.00 0.00 C ATOM 39 C SER A 5 13.880 8.654 6.804 1.00 0.00 C ATOM 40 O SER A 5 15.098 8.803 6.912 1.00 0.00 O ATOM 41 CB SER A 5 13.713 8.792 4.312 1.00 0.00 C ATOM 42 OG SER A 5 13.210 7.515 3.959 1.00 0.00 O ATOM 0 H SER A 5 14.085 11.131 5.700 1.00 0.00 H new ATOM 0 HA SER A 5 12.077 8.950 5.694 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.480 9.509 3.524 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.799 8.749 4.393 1.00 0.00 H new ATOM 0 HG SER A 5 13.957 6.916 3.749 1.00 0.00 H new ATOM 48 N SER A 6 13.156 7.961 7.677 1.00 0.00 N ATOM 49 CA SER A 6 13.763 7.324 8.839 1.00 0.00 C ATOM 50 C SER A 6 14.290 5.937 8.485 1.00 0.00 C ATOM 51 O SER A 6 15.499 5.708 8.458 1.00 0.00 O ATOM 52 CB SER A 6 12.747 7.220 9.979 1.00 0.00 C ATOM 53 OG SER A 6 13.303 6.551 11.097 1.00 0.00 O ATOM 0 H SER A 6 12.148 7.827 7.601 1.00 0.00 H new ATOM 0 HA SER A 6 14.601 7.940 9.164 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.422 8.218 10.273 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.862 6.685 9.634 1.00 0.00 H new ATOM 0 HG SER A 6 12.635 6.499 11.812 1.00 0.00 H new ATOM 59 N GLY A 7 13.373 5.013 8.213 1.00 0.00 N ATOM 60 CA GLY A 7 13.764 3.660 7.864 1.00 0.00 C ATOM 61 C GLY A 7 12.898 3.071 6.768 1.00 0.00 C ATOM 62 O GLY A 7 12.652 1.865 6.742 1.00 0.00 O ATOM 0 H GLY A 7 12.367 5.178 8.228 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.805 3.658 7.541 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.704 3.028 8.750 1.00 0.00 H new ATOM 66 N VAL A 8 12.433 3.923 5.861 1.00 0.00 N ATOM 67 CA VAL A 8 11.588 3.481 4.758 1.00 0.00 C ATOM 68 C VAL A 8 12.197 3.861 3.413 1.00 0.00 C ATOM 69 O VAL A 8 12.791 4.930 3.269 1.00 0.00 O ATOM 70 CB VAL A 8 10.174 4.082 4.857 1.00 0.00 C ATOM 71 CG1 VAL A 8 10.247 5.587 5.065 1.00 0.00 C ATOM 72 CG2 VAL A 8 9.364 3.746 3.614 1.00 0.00 C ATOM 0 H VAL A 8 12.627 4.924 5.868 1.00 0.00 H new ATOM 0 HA VAL A 8 11.518 2.396 4.829 1.00 0.00 H new ATOM 0 HB VAL A 8 9.671 3.644 5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.238 5.994 5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.787 5.801 5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.768 6.046 4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.367 4.179 3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.861 4.155 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.282 2.664 3.515 1.00 0.00 H new ATOM 82 N ASP A 9 12.045 2.979 2.431 1.00 0.00 N ATOM 83 CA ASP A 9 12.579 3.223 1.096 1.00 0.00 C ATOM 84 C ASP A 9 11.666 4.156 0.307 1.00 0.00 C ATOM 85 O ASP A 9 10.688 3.717 -0.298 1.00 0.00 O ATOM 86 CB ASP A 9 12.752 1.902 0.343 1.00 0.00 C ATOM 87 CG ASP A 9 13.354 2.095 -1.034 1.00 0.00 C ATOM 88 OD1 ASP A 9 14.203 2.997 -1.189 1.00 0.00 O ATOM 89 OD2 ASP A 9 12.975 1.344 -1.958 1.00 0.00 O ATOM 0 H ASP A 9 11.557 2.089 2.534 1.00 0.00 H new ATOM 0 HA ASP A 9 13.552 3.702 1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.389 1.236 0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.783 1.412 0.247 1.00 0.00 H new ATOM 94 N GLU A 10 11.991 5.445 0.320 1.00 0.00 N ATOM 95 CA GLU A 10 11.198 6.439 -0.393 1.00 0.00 C ATOM 96 C GLU A 10 10.813 5.936 -1.781 1.00 0.00 C ATOM 97 O GLU A 10 9.641 5.952 -2.157 1.00 0.00 O ATOM 98 CB GLU A 10 11.974 7.753 -0.512 1.00 0.00 C ATOM 99 CG GLU A 10 11.707 8.723 0.626 1.00 0.00 C ATOM 100 CD GLU A 10 12.193 10.127 0.323 1.00 0.00 C ATOM 101 OE1 GLU A 10 13.332 10.267 -0.171 1.00 0.00 O ATOM 102 OE2 GLU A 10 11.435 11.085 0.579 1.00 0.00 O ATOM 0 H GLU A 10 12.797 5.825 0.816 1.00 0.00 H new ATOM 0 HA GLU A 10 10.285 6.614 0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.041 7.533 -0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.716 8.233 -1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.637 8.750 0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.197 8.360 1.530 1.00 0.00 H new ATOM 109 N LYS A 11 11.808 5.488 -2.538 1.00 0.00 N ATOM 110 CA LYS A 11 11.577 4.978 -3.885 1.00 0.00 C ATOM 111 C LYS A 11 10.365 4.052 -3.915 1.00 0.00 C ATOM 112 O LYS A 11 9.511 4.160 -4.793 1.00 0.00 O ATOM 113 CB LYS A 11 12.814 4.234 -4.391 1.00 0.00 C ATOM 114 CG LYS A 11 13.953 5.153 -4.797 1.00 0.00 C ATOM 115 CD LYS A 11 13.600 5.965 -6.032 1.00 0.00 C ATOM 116 CE LYS A 11 14.807 6.723 -6.564 1.00 0.00 C ATOM 117 NZ LYS A 11 14.714 6.954 -8.033 1.00 0.00 N ATOM 0 H LYS A 11 12.784 5.467 -2.242 1.00 0.00 H new ATOM 0 HA LYS A 11 11.380 5.827 -4.539 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.165 3.557 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.533 3.618 -5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.190 5.826 -3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.847 4.561 -4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.215 5.302 -6.807 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.804 6.669 -5.790 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.890 7.681 -6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.715 6.162 -6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.555 7.473 -8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.661 6.040 -8.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.861 7.511 -8.244 1.00 0.00 H new ATOM 131 N ALA A 12 10.299 3.142 -2.948 1.00 0.00 N ATOM 132 CA ALA A 12 9.190 2.199 -2.862 1.00 0.00 C ATOM 133 C ALA A 12 7.907 2.898 -2.429 1.00 0.00 C ATOM 134 O ALA A 12 6.816 2.561 -2.892 1.00 0.00 O ATOM 135 CB ALA A 12 9.530 1.071 -1.899 1.00 0.00 C ATOM 0 H ALA A 12 11.000 3.038 -2.214 1.00 0.00 H new ATOM 0 HA ALA A 12 9.026 1.778 -3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.693 0.375 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.417 0.546 -2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.723 1.484 -0.909 1.00 0.00 H new ATOM 141 N LEU A 13 8.042 3.873 -1.537 1.00 0.00 N ATOM 142 CA LEU A 13 6.892 4.621 -1.039 1.00 0.00 C ATOM 143 C LEU A 13 6.199 5.371 -2.172 1.00 0.00 C ATOM 144 O LEU A 13 5.004 5.192 -2.410 1.00 0.00 O ATOM 145 CB LEU A 13 7.330 5.605 0.046 1.00 0.00 C ATOM 146 CG LEU A 13 6.413 6.808 0.272 1.00 0.00 C ATOM 147 CD1 LEU A 13 5.181 6.398 1.064 1.00 0.00 C ATOM 148 CD2 LEU A 13 7.161 7.924 0.986 1.00 0.00 C ATOM 0 H LEU A 13 8.937 4.165 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 13 6.184 3.910 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.421 5.061 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.324 5.974 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 13 6.089 7.180 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.540 7.267 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.632 5.634 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.486 6.000 2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.492 8.771 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.516 7.564 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.012 8.237 0.381 1.00 0.00 H new ATOM 160 N LYS A 14 6.957 6.210 -2.870 1.00 0.00 N ATOM 161 CA LYS A 14 6.417 6.985 -3.981 1.00 0.00 C ATOM 162 C LYS A 14 5.690 6.082 -4.972 1.00 0.00 C ATOM 163 O LYS A 14 4.494 6.246 -5.214 1.00 0.00 O ATOM 164 CB LYS A 14 7.540 7.742 -4.694 1.00 0.00 C ATOM 165 CG LYS A 14 7.078 8.490 -5.933 1.00 0.00 C ATOM 166 CD LYS A 14 7.978 9.676 -6.236 1.00 0.00 C ATOM 167 CE LYS A 14 7.983 10.007 -7.721 1.00 0.00 C ATOM 168 NZ LYS A 14 9.188 10.790 -8.110 1.00 0.00 N ATOM 0 H LYS A 14 7.947 6.371 -2.686 1.00 0.00 H new ATOM 0 HA LYS A 14 5.702 7.702 -3.578 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.988 8.451 -3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.321 7.036 -4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.069 7.812 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.054 8.836 -5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.641 10.544 -5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.994 9.456 -5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.948 9.084 -8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.086 10.574 -7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.154 10.996 -9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.209 11.683 -7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.044 10.239 -7.896 1.00 0.00 H new ATOM 182 N HIS A 15 6.419 5.127 -5.542 1.00 0.00 N ATOM 183 CA HIS A 15 5.842 4.197 -6.506 1.00 0.00 C ATOM 184 C HIS A 15 4.439 3.774 -6.079 1.00 0.00 C ATOM 185 O HIS A 15 3.566 3.549 -6.918 1.00 0.00 O ATOM 186 CB HIS A 15 6.735 2.965 -6.655 1.00 0.00 C ATOM 187 CG HIS A 15 6.245 1.991 -7.682 1.00 0.00 C ATOM 188 ND1 HIS A 15 6.638 2.028 -9.003 1.00 0.00 N ATOM 189 CD2 HIS A 15 5.391 0.947 -7.574 1.00 0.00 C ATOM 190 CE1 HIS A 15 6.045 1.051 -9.664 1.00 0.00 C ATOM 191 NE2 HIS A 15 5.283 0.379 -8.820 1.00 0.00 N ATOM 0 H HIS A 15 7.410 4.977 -5.353 1.00 0.00 H new ATOM 0 HA HIS A 15 5.773 4.705 -7.468 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.742 3.286 -6.922 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.807 2.460 -5.692 1.00 0.00 H new ATOM 0 HD2 HIS A 15 4.888 0.621 -6.676 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.163 0.838 -10.716 1.00 0.00 H new ATOM 0 HE2 HIS A 15 4.708 -0.430 -9.055 1.00 0.00 H new ATOM 200 N ILE A 16 4.231 3.666 -4.771 1.00 0.00 N ATOM 201 CA ILE A 16 2.935 3.270 -4.234 1.00 0.00 C ATOM 202 C ILE A 16 1.985 4.461 -4.157 1.00 0.00 C ATOM 203 O ILE A 16 0.925 4.466 -4.782 1.00 0.00 O ATOM 204 CB ILE A 16 3.073 2.646 -2.833 1.00 0.00 C ATOM 205 CG1 ILE A 16 3.986 1.419 -2.885 1.00 0.00 C ATOM 206 CG2 ILE A 16 1.705 2.272 -2.283 1.00 0.00 C ATOM 207 CD1 ILE A 16 4.404 0.918 -1.521 1.00 0.00 C ATOM 0 H ILE A 16 4.943 3.847 -4.064 1.00 0.00 H new ATOM 0 HA ILE A 16 2.525 2.525 -4.916 1.00 0.00 H new ATOM 0 HB ILE A 16 3.522 3.382 -2.166 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.473 0.617 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.878 1.664 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.819 1.832 -1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.084 3.165 -2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.230 1.550 -2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.049 0.047 -1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.945 1.704 -0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.519 0.641 -0.948 1.00 0.00 H new ATOM 219 N THR A 17 2.374 5.472 -3.385 1.00 0.00 N ATOM 220 CA THR A 17 1.558 6.669 -3.226 1.00 0.00 C ATOM 221 C THR A 17 0.908 7.071 -4.545 1.00 0.00 C ATOM 222 O THR A 17 -0.272 7.417 -4.585 1.00 0.00 O ATOM 223 CB THR A 17 2.392 7.851 -2.697 1.00 0.00 C ATOM 224 OG1 THR A 17 3.419 8.185 -3.637 1.00 0.00 O ATOM 225 CG2 THR A 17 3.019 7.512 -1.353 1.00 0.00 C ATOM 0 H THR A 17 3.249 5.485 -2.861 1.00 0.00 H new ATOM 0 HA THR A 17 0.781 6.428 -2.500 1.00 0.00 H new ATOM 0 HB THR A 17 1.728 8.706 -2.565 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.740 7.369 -4.075 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.603 8.362 -0.999 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.234 7.286 -0.632 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.670 6.645 -1.464 1.00 0.00 H new ATOM 233 N GLU A 18 1.685 7.021 -5.622 1.00 0.00 N ATOM 234 CA GLU A 18 1.183 7.381 -6.943 1.00 0.00 C ATOM 235 C GLU A 18 -0.108 6.631 -7.257 1.00 0.00 C ATOM 236 O GLU A 18 -1.056 7.204 -7.792 1.00 0.00 O ATOM 237 CB GLU A 18 2.235 7.078 -8.012 1.00 0.00 C ATOM 238 CG GLU A 18 3.515 7.881 -7.852 1.00 0.00 C ATOM 239 CD GLU A 18 3.350 9.331 -8.262 1.00 0.00 C ATOM 240 OE1 GLU A 18 2.321 9.937 -7.896 1.00 0.00 O ATOM 241 OE2 GLU A 18 4.249 9.860 -8.948 1.00 0.00 O ATOM 0 H GLU A 18 2.664 6.735 -5.606 1.00 0.00 H new ATOM 0 HA GLU A 18 0.971 8.450 -6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.476 6.016 -7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.810 7.280 -8.995 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.840 7.836 -6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.303 7.425 -8.452 1.00 0.00 H new ATOM 248 N MET A 19 -0.136 5.345 -6.920 1.00 0.00 N ATOM 249 CA MET A 19 -1.310 4.516 -7.165 1.00 0.00 C ATOM 250 C MET A 19 -2.546 5.114 -6.500 1.00 0.00 C ATOM 251 O MET A 19 -3.672 4.883 -6.938 1.00 0.00 O ATOM 252 CB MET A 19 -1.075 3.096 -6.648 1.00 0.00 C ATOM 253 CG MET A 19 -0.053 2.315 -7.459 1.00 0.00 C ATOM 254 SD MET A 19 0.734 1.003 -6.506 1.00 0.00 S ATOM 255 CE MET A 19 0.905 -0.268 -7.757 1.00 0.00 C ATOM 0 H MET A 19 0.641 4.855 -6.477 1.00 0.00 H new ATOM 0 HA MET A 19 -1.480 4.479 -8.241 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.742 3.146 -5.611 1.00 0.00 H new ATOM 0 HB3 MET A 19 -2.021 2.555 -6.653 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.542 1.882 -8.332 1.00 0.00 H new ATOM 0 HG3 MET A 19 0.711 2.999 -7.828 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.884 -0.739 -7.666 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.127 -1.019 -7.621 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.809 0.180 -8.746 1.00 0.00 H new ATOM 265 N GLY A 20 -2.327 5.884 -5.438 1.00 0.00 N ATOM 266 CA GLY A 20 -3.432 6.502 -4.730 1.00 0.00 C ATOM 267 C GLY A 20 -3.467 6.121 -3.263 1.00 0.00 C ATOM 268 O GLY A 20 -4.527 5.813 -2.719 1.00 0.00 O ATOM 0 H GLY A 20 -1.404 6.090 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.356 7.586 -4.819 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.370 6.209 -5.201 1.00 0.00 H new ATOM 272 N PHE A 21 -2.304 6.140 -2.621 1.00 0.00 N ATOM 273 CA PHE A 21 -2.204 5.791 -1.208 1.00 0.00 C ATOM 274 C PHE A 21 -1.652 6.959 -0.397 1.00 0.00 C ATOM 275 O PHE A 21 -0.720 7.641 -0.825 1.00 0.00 O ATOM 276 CB PHE A 21 -1.311 4.562 -1.027 1.00 0.00 C ATOM 277 CG PHE A 21 -2.006 3.266 -1.329 1.00 0.00 C ATOM 278 CD1 PHE A 21 -2.842 2.678 -0.394 1.00 0.00 C ATOM 279 CD2 PHE A 21 -1.824 2.635 -2.550 1.00 0.00 C ATOM 280 CE1 PHE A 21 -3.484 1.485 -0.670 1.00 0.00 C ATOM 281 CE2 PHE A 21 -2.463 1.442 -2.831 1.00 0.00 C ATOM 282 CZ PHE A 21 -3.293 0.866 -1.889 1.00 0.00 C ATOM 0 H PHE A 21 -1.417 6.393 -3.056 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.205 5.561 -0.844 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.440 4.657 -1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.944 4.538 -0.001 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.994 3.157 0.562 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.176 3.081 -3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.134 1.038 0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.313 0.961 -3.786 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.792 -0.067 -2.106 1.00 0.00 H new ATOM 292 N SER A 22 -2.234 7.185 0.776 1.00 0.00 N ATOM 293 CA SER A 22 -1.805 8.273 1.646 1.00 0.00 C ATOM 294 C SER A 22 -0.341 8.106 2.043 1.00 0.00 C ATOM 295 O SER A 22 0.052 7.077 2.594 1.00 0.00 O ATOM 296 CB SER A 22 -2.681 8.330 2.899 1.00 0.00 C ATOM 297 OG SER A 22 -3.906 8.991 2.635 1.00 0.00 O ATOM 0 H SER A 22 -3.005 6.629 1.146 1.00 0.00 H new ATOM 0 HA SER A 22 -1.911 9.208 1.095 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.879 7.319 3.254 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.148 8.849 3.696 1.00 0.00 H new ATOM 0 HG SER A 22 -4.448 9.013 3.451 1.00 0.00 H new ATOM 303 N LYS A 23 0.463 9.125 1.759 1.00 0.00 N ATOM 304 CA LYS A 23 1.883 9.094 2.086 1.00 0.00 C ATOM 305 C LYS A 23 2.119 8.394 3.421 1.00 0.00 C ATOM 306 O LYS A 23 2.887 7.436 3.502 1.00 0.00 O ATOM 307 CB LYS A 23 2.447 10.516 2.137 1.00 0.00 C ATOM 308 CG LYS A 23 3.894 10.580 2.595 1.00 0.00 C ATOM 309 CD LYS A 23 4.853 10.274 1.457 1.00 0.00 C ATOM 310 CE LYS A 23 6.180 10.995 1.637 1.00 0.00 C ATOM 311 NZ LYS A 23 7.006 10.376 2.711 1.00 0.00 N ATOM 0 H LYS A 23 0.155 9.983 1.302 1.00 0.00 H new ATOM 0 HA LYS A 23 2.398 8.533 1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.368 10.965 1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.835 11.117 2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.107 11.572 2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.052 9.869 3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.026 9.199 1.405 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.402 10.571 0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.733 10.978 0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.995 12.042 1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.122 11.052 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.534 9.518 3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.940 10.125 2.329 1.00 0.00 H new ATOM 325 N GLU A 24 1.453 8.879 4.464 1.00 0.00 N ATOM 326 CA GLU A 24 1.591 8.298 5.795 1.00 0.00 C ATOM 327 C GLU A 24 1.215 6.819 5.784 1.00 0.00 C ATOM 328 O GLU A 24 1.939 5.981 6.320 1.00 0.00 O ATOM 329 CB GLU A 24 0.714 9.051 6.797 1.00 0.00 C ATOM 330 CG GLU A 24 0.994 8.687 8.245 1.00 0.00 C ATOM 331 CD GLU A 24 -0.143 9.068 9.174 1.00 0.00 C ATOM 332 OE1 GLU A 24 -1.289 8.647 8.912 1.00 0.00 O ATOM 333 OE2 GLU A 24 0.115 9.787 10.162 1.00 0.00 O ATOM 0 H GLU A 24 0.813 9.672 4.414 1.00 0.00 H new ATOM 0 HA GLU A 24 2.634 8.388 6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.864 10.123 6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.334 8.846 6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.173 7.614 8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.907 9.186 8.571 1.00 0.00 H new ATOM 340 N ALA A 25 0.078 6.508 5.171 1.00 0.00 N ATOM 341 CA ALA A 25 -0.393 5.131 5.089 1.00 0.00 C ATOM 342 C ALA A 25 0.659 4.227 4.455 1.00 0.00 C ATOM 343 O ALA A 25 1.025 3.196 5.018 1.00 0.00 O ATOM 344 CB ALA A 25 -1.693 5.064 4.301 1.00 0.00 C ATOM 0 H ALA A 25 -0.534 7.191 4.724 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.576 4.775 6.103 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.033 4.030 4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.451 5.670 4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.527 5.444 3.293 1.00 0.00 H new ATOM 350 N SER A 26 1.140 4.621 3.281 1.00 0.00 N ATOM 351 CA SER A 26 2.147 3.843 2.568 1.00 0.00 C ATOM 352 C SER A 26 3.434 3.745 3.382 1.00 0.00 C ATOM 353 O SER A 26 3.991 2.660 3.554 1.00 0.00 O ATOM 354 CB SER A 26 2.440 4.475 1.206 1.00 0.00 C ATOM 355 OG SER A 26 3.161 3.582 0.374 1.00 0.00 O ATOM 0 H SER A 26 0.849 5.474 2.803 1.00 0.00 H new ATOM 0 HA SER A 26 1.754 2.837 2.418 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.504 4.753 0.722 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.013 5.392 1.343 1.00 0.00 H new ATOM 0 HG SER A 26 4.072 3.477 0.719 1.00 0.00 H new ATOM 361 N ARG A 27 3.900 4.885 3.881 1.00 0.00 N ATOM 362 CA ARG A 27 5.121 4.928 4.676 1.00 0.00 C ATOM 363 C ARG A 27 5.102 3.856 5.761 1.00 0.00 C ATOM 364 O ARG A 27 5.981 2.996 5.812 1.00 0.00 O ATOM 365 CB ARG A 27 5.292 6.309 5.312 1.00 0.00 C ATOM 366 CG ARG A 27 6.707 6.588 5.791 1.00 0.00 C ATOM 367 CD ARG A 27 6.716 7.529 6.986 1.00 0.00 C ATOM 368 NE ARG A 27 8.068 7.949 7.342 1.00 0.00 N ATOM 369 CZ ARG A 27 8.378 8.526 8.497 1.00 0.00 C ATOM 370 NH1 ARG A 27 7.437 8.750 9.404 1.00 0.00 N ATOM 371 NH2 ARG A 27 9.632 8.881 8.748 1.00 0.00 N ATOM 0 H ARG A 27 3.450 5.791 3.749 1.00 0.00 H new ATOM 0 HA ARG A 27 5.964 4.734 4.012 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.006 7.071 4.587 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.608 6.398 6.156 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.192 5.650 6.062 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.288 7.025 4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.111 8.407 6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.253 7.035 7.840 1.00 0.00 H new ATOM 0 HE ARG A 27 8.816 7.791 6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.472 8.479 9.215 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.678 9.193 10.290 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.359 8.711 8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.869 9.324 9.636 1.00 0.00 H new ATOM 385 N GLN A 28 4.094 3.914 6.626 1.00 0.00 N ATOM 386 CA GLN A 28 3.962 2.948 7.711 1.00 0.00 C ATOM 387 C GLN A 28 4.072 1.521 7.185 1.00 0.00 C ATOM 388 O GLN A 28 4.949 0.763 7.596 1.00 0.00 O ATOM 389 CB GLN A 28 2.626 3.138 8.431 1.00 0.00 C ATOM 390 CG GLN A 28 2.542 2.404 9.760 1.00 0.00 C ATOM 391 CD GLN A 28 3.472 2.985 10.807 1.00 0.00 C ATOM 392 OE1 GLN A 28 3.213 4.054 11.360 1.00 0.00 O ATOM 393 NE2 GLN A 28 4.563 2.281 11.085 1.00 0.00 N ATOM 0 H GLN A 28 3.357 4.619 6.597 1.00 0.00 H new ATOM 0 HA GLN A 28 4.774 3.119 8.417 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.463 4.202 8.602 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.821 2.792 7.783 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.517 2.443 10.128 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.786 1.353 9.606 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.738 1.400 10.602 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.226 2.622 11.781 1.00 0.00 H new ATOM 402 N ALA A 29 3.174 1.161 6.273 1.00 0.00 N ATOM 403 CA ALA A 29 3.171 -0.175 5.689 1.00 0.00 C ATOM 404 C ALA A 29 4.587 -0.628 5.347 1.00 0.00 C ATOM 405 O ALA A 29 5.078 -1.621 5.885 1.00 0.00 O ATOM 406 CB ALA A 29 2.291 -0.207 4.449 1.00 0.00 C ATOM 0 H ALA A 29 2.439 1.776 5.923 1.00 0.00 H new ATOM 0 HA ALA A 29 2.765 -0.866 6.427 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.298 -1.210 4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.271 0.065 4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.672 0.502 3.714 1.00 0.00 H new ATOM 412 N LEU A 30 5.237 0.106 4.451 1.00 0.00 N ATOM 413 CA LEU A 30 6.597 -0.221 4.036 1.00 0.00 C ATOM 414 C LEU A 30 7.472 -0.543 5.244 1.00 0.00 C ATOM 415 O LEU A 30 8.146 -1.572 5.277 1.00 0.00 O ATOM 416 CB LEU A 30 7.204 0.940 3.247 1.00 0.00 C ATOM 417 CG LEU A 30 6.890 0.972 1.751 1.00 0.00 C ATOM 418 CD1 LEU A 30 7.164 2.353 1.177 1.00 0.00 C ATOM 419 CD2 LEU A 30 7.700 -0.085 1.014 1.00 0.00 C ATOM 0 H LEU A 30 4.845 0.931 3.998 1.00 0.00 H new ATOM 0 HA LEU A 30 6.553 -1.103 3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.859 1.874 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.287 0.910 3.370 1.00 0.00 H new ATOM 0 HG LEU A 30 5.831 0.750 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.935 2.356 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.540 3.088 1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.214 2.606 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.464 -0.048 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.764 0.107 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.453 -1.072 1.406 1.00 0.00 H new ATOM 431 N MET A 31 7.454 0.343 6.234 1.00 0.00 N ATOM 432 CA MET A 31 8.243 0.152 7.445 1.00 0.00 C ATOM 433 C MET A 31 7.878 -1.162 8.129 1.00 0.00 C ATOM 434 O MET A 31 8.688 -1.741 8.854 1.00 0.00 O ATOM 435 CB MET A 31 8.028 1.319 8.410 1.00 0.00 C ATOM 436 CG MET A 31 8.443 2.665 7.837 1.00 0.00 C ATOM 437 SD MET A 31 10.162 3.073 8.199 1.00 0.00 S ATOM 438 CE MET A 31 9.963 4.144 9.621 1.00 0.00 C ATOM 0 H MET A 31 6.902 1.200 6.221 1.00 0.00 H new ATOM 0 HA MET A 31 9.295 0.115 7.161 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.975 1.361 8.688 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.592 1.133 9.324 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.295 2.657 6.757 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.796 3.443 8.242 1.00 0.00 H new ATOM 0 HE1 MET A 31 10.942 4.480 9.963 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.359 5.008 9.344 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.467 3.596 10.422 1.00 0.00 H new ATOM 448 N ASP A 32 6.656 -1.627 7.895 1.00 0.00 N ATOM 449 CA ASP A 32 6.185 -2.873 8.488 1.00 0.00 C ATOM 450 C ASP A 32 6.446 -4.051 7.556 1.00 0.00 C ATOM 451 O ASP A 32 6.531 -5.197 7.997 1.00 0.00 O ATOM 452 CB ASP A 32 4.691 -2.778 8.806 1.00 0.00 C ATOM 453 CG ASP A 32 4.428 -2.256 10.204 1.00 0.00 C ATOM 454 OD1 ASP A 32 5.280 -2.478 11.091 1.00 0.00 O ATOM 455 OD2 ASP A 32 3.372 -1.624 10.412 1.00 0.00 O ATOM 0 H ASP A 32 5.973 -1.160 7.299 1.00 0.00 H new ATOM 0 HA ASP A 32 6.736 -3.038 9.414 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.209 -2.123 8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.236 -3.763 8.698 1.00 0.00 H new ATOM 460 N ASN A 33 6.570 -3.762 6.265 1.00 0.00 N ATOM 461 CA ASN A 33 6.820 -4.798 5.270 1.00 0.00 C ATOM 462 C ASN A 33 8.305 -4.878 4.928 1.00 0.00 C ATOM 463 O ASN A 33 8.677 -5.221 3.807 1.00 0.00 O ATOM 464 CB ASN A 33 6.008 -4.524 4.002 1.00 0.00 C ATOM 465 CG ASN A 33 4.708 -3.800 4.294 1.00 0.00 C ATOM 466 OD1 ASN A 33 4.484 -2.686 3.818 1.00 0.00 O ATOM 467 ND2 ASN A 33 3.843 -4.430 5.080 1.00 0.00 N ATOM 0 H ASN A 33 6.501 -2.819 5.883 1.00 0.00 H new ATOM 0 HA ASN A 33 6.510 -5.754 5.693 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.606 -3.928 3.313 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.791 -5.468 3.502 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.951 -3.992 5.311 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.070 -5.352 5.452 1.00 0.00 H new ATOM 474 N GLY A 34 9.149 -4.560 5.905 1.00 0.00 N ATOM 475 CA GLY A 34 10.584 -4.603 5.689 1.00 0.00 C ATOM 476 C GLY A 34 11.007 -3.836 4.451 1.00 0.00 C ATOM 477 O GLY A 34 12.042 -4.129 3.855 1.00 0.00 O ATOM 0 H GLY A 34 8.865 -4.273 6.842 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.092 -4.189 6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.904 -5.641 5.597 1.00 0.00 H new ATOM 481 N ASN A 35 10.202 -2.852 4.063 1.00 0.00 N ATOM 482 CA ASN A 35 10.497 -2.042 2.887 1.00 0.00 C ATOM 483 C ASN A 35 10.299 -2.849 1.607 1.00 0.00 C ATOM 484 O ASN A 35 11.157 -2.856 0.726 1.00 0.00 O ATOM 485 CB ASN A 35 11.932 -1.514 2.953 1.00 0.00 C ATOM 486 CG ASN A 35 12.277 -0.947 4.316 1.00 0.00 C ATOM 487 OD1 ASN A 35 12.340 -1.675 5.306 1.00 0.00 O ATOM 488 ND2 ASN A 35 12.503 0.361 4.372 1.00 0.00 N ATOM 0 H ASN A 35 9.341 -2.597 4.546 1.00 0.00 H new ATOM 0 HA ASN A 35 9.806 -1.199 2.875 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.624 -2.321 2.712 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.067 -0.741 2.196 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.740 0.800 5.262 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.440 0.926 3.525 1.00 0.00 H new ATOM 495 N ASN A 36 9.160 -3.528 1.513 1.00 0.00 N ATOM 496 CA ASN A 36 8.848 -4.338 0.341 1.00 0.00 C ATOM 497 C ASN A 36 7.940 -3.577 -0.620 1.00 0.00 C ATOM 498 O ASN A 36 6.803 -3.241 -0.284 1.00 0.00 O ATOM 499 CB ASN A 36 8.178 -5.647 0.764 1.00 0.00 C ATOM 500 CG ASN A 36 8.443 -6.774 -0.215 1.00 0.00 C ATOM 501 OD1 ASN A 36 7.957 -6.755 -1.347 1.00 0.00 O ATOM 502 ND2 ASN A 36 9.215 -7.765 0.216 1.00 0.00 N ATOM 0 H ASN A 36 8.438 -3.533 2.234 1.00 0.00 H new ATOM 0 HA ASN A 36 9.782 -4.565 -0.172 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.539 -5.934 1.751 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.103 -5.490 0.851 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.426 -8.551 -0.399 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.597 -7.740 1.162 1.00 0.00 H new ATOM 509 N LEU A 37 8.448 -3.309 -1.818 1.00 0.00 N ATOM 510 CA LEU A 37 7.683 -2.588 -2.829 1.00 0.00 C ATOM 511 C LEU A 37 6.359 -3.290 -3.113 1.00 0.00 C ATOM 512 O LEU A 37 5.298 -2.667 -3.087 1.00 0.00 O ATOM 513 CB LEU A 37 8.495 -2.465 -4.120 1.00 0.00 C ATOM 514 CG LEU A 37 7.753 -1.893 -5.328 1.00 0.00 C ATOM 515 CD1 LEU A 37 7.385 -0.437 -5.088 1.00 0.00 C ATOM 516 CD2 LEU A 37 8.597 -2.031 -6.587 1.00 0.00 C ATOM 0 H LEU A 37 9.386 -3.580 -2.113 1.00 0.00 H new ATOM 0 HA LEU A 37 7.469 -1.591 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.363 -1.836 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.871 -3.453 -4.385 1.00 0.00 H new ATOM 0 HG LEU A 37 6.833 -2.461 -5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.858 -0.047 -5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.742 -0.364 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.292 0.145 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.053 -1.619 -7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.534 -1.489 -6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.810 -3.084 -6.769 1.00 0.00 H new ATOM 528 N GLU A 38 6.430 -4.590 -3.383 1.00 0.00 N ATOM 529 CA GLU A 38 5.236 -5.376 -3.670 1.00 0.00 C ATOM 530 C GLU A 38 4.424 -5.616 -2.401 1.00 0.00 C ATOM 531 O GLU A 38 3.319 -5.096 -2.250 1.00 0.00 O ATOM 532 CB GLU A 38 5.620 -6.715 -4.304 1.00 0.00 C ATOM 533 CG GLU A 38 5.716 -6.665 -5.819 1.00 0.00 C ATOM 534 CD GLU A 38 6.718 -7.660 -6.373 1.00 0.00 C ATOM 535 OE1 GLU A 38 6.329 -8.823 -6.612 1.00 0.00 O ATOM 536 OE2 GLU A 38 7.891 -7.277 -6.566 1.00 0.00 O ATOM 0 H GLU A 38 7.301 -5.120 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 38 4.622 -4.812 -4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.579 -7.038 -3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.884 -7.467 -4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.735 -6.866 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.999 -5.659 -6.128 1.00 0.00 H new ATOM 543 N ALA A 39 4.980 -6.408 -1.490 1.00 0.00 N ATOM 544 CA ALA A 39 4.310 -6.716 -0.233 1.00 0.00 C ATOM 545 C ALA A 39 3.566 -5.499 0.305 1.00 0.00 C ATOM 546 O ALA A 39 2.430 -5.607 0.766 1.00 0.00 O ATOM 547 CB ALA A 39 5.315 -7.219 0.792 1.00 0.00 C ATOM 0 H ALA A 39 5.894 -6.848 -1.599 1.00 0.00 H new ATOM 0 HA ALA A 39 3.578 -7.501 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.800 -7.445 1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.798 -8.121 0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.069 -6.452 0.970 1.00 0.00 H new ATOM 553 N ALA A 40 4.215 -4.340 0.245 1.00 0.00 N ATOM 554 CA ALA A 40 3.614 -3.102 0.725 1.00 0.00 C ATOM 555 C ALA A 40 2.138 -3.025 0.347 1.00 0.00 C ATOM 556 O ALA A 40 1.262 -3.083 1.211 1.00 0.00 O ATOM 557 CB ALA A 40 4.366 -1.901 0.171 1.00 0.00 C ATOM 0 H ALA A 40 5.157 -4.233 -0.131 1.00 0.00 H new ATOM 0 HA ALA A 40 3.684 -3.091 1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.906 -0.983 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.406 -1.941 0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.326 -1.917 -0.918 1.00 0.00 H new ATOM 563 N LEU A 41 1.870 -2.895 -0.947 1.00 0.00 N ATOM 564 CA LEU A 41 0.500 -2.809 -1.440 1.00 0.00 C ATOM 565 C LEU A 41 -0.366 -3.910 -0.835 1.00 0.00 C ATOM 566 O LEU A 41 -1.380 -3.634 -0.194 1.00 0.00 O ATOM 567 CB LEU A 41 0.478 -2.909 -2.966 1.00 0.00 C ATOM 568 CG LEU A 41 0.677 -1.598 -3.727 1.00 0.00 C ATOM 569 CD1 LEU A 41 1.276 -1.863 -5.100 1.00 0.00 C ATOM 570 CD2 LEU A 41 -0.642 -0.849 -3.854 1.00 0.00 C ATOM 0 H LEU A 41 2.583 -2.847 -1.674 1.00 0.00 H new ATOM 0 HA LEU A 41 0.092 -1.844 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.256 -3.607 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.476 -3.340 -3.268 1.00 0.00 H new ATOM 0 HG LEU A 41 1.372 -0.976 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.410 -0.918 -5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.242 -2.356 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.606 -2.505 -5.672 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.481 0.082 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.360 -1.466 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.031 -0.626 -2.860 1.00 0.00 H new ATOM 582 N ASN A 42 0.042 -5.158 -1.041 1.00 0.00 N ATOM 583 CA ASN A 42 -0.695 -6.300 -0.515 1.00 0.00 C ATOM 584 C ASN A 42 -1.320 -5.968 0.837 1.00 0.00 C ATOM 585 O ASN A 42 -2.533 -6.076 1.016 1.00 0.00 O ATOM 586 CB ASN A 42 0.229 -7.511 -0.378 1.00 0.00 C ATOM 587 CG ASN A 42 0.927 -7.856 -1.680 1.00 0.00 C ATOM 588 OD1 ASN A 42 0.497 -8.749 -2.410 1.00 0.00 O ATOM 589 ND2 ASN A 42 2.011 -7.148 -1.975 1.00 0.00 N ATOM 0 H ASN A 42 0.880 -5.404 -1.569 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.494 -6.539 -1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.976 -7.309 0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.350 -8.370 -0.041 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.524 -7.335 -2.837 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.331 -6.417 -1.340 1.00 0.00 H new ATOM 596 N VAL A 43 -0.483 -5.563 1.786 1.00 0.00 N ATOM 597 CA VAL A 43 -0.952 -5.213 3.122 1.00 0.00 C ATOM 598 C VAL A 43 -1.974 -4.083 3.066 1.00 0.00 C ATOM 599 O VAL A 43 -3.010 -4.134 3.730 1.00 0.00 O ATOM 600 CB VAL A 43 0.215 -4.792 4.034 1.00 0.00 C ATOM 601 CG1 VAL A 43 -0.307 -4.302 5.377 1.00 0.00 C ATOM 602 CG2 VAL A 43 1.188 -5.945 4.221 1.00 0.00 C ATOM 0 H VAL A 43 0.524 -5.469 1.655 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.423 -6.104 3.537 1.00 0.00 H new ATOM 0 HB VAL A 43 0.748 -3.970 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.532 -4.009 6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.962 -3.444 5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.866 -5.101 5.864 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.006 -5.629 4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.669 -6.788 4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.587 -6.245 3.252 1.00 0.00 H new ATOM 612 N LEU A 44 -1.676 -3.062 2.270 1.00 0.00 N ATOM 613 CA LEU A 44 -2.568 -1.917 2.127 1.00 0.00 C ATOM 614 C LEU A 44 -3.913 -2.345 1.548 1.00 0.00 C ATOM 615 O LEU A 44 -4.950 -1.757 1.859 1.00 0.00 O ATOM 616 CB LEU A 44 -1.929 -0.856 1.230 1.00 0.00 C ATOM 617 CG LEU A 44 -0.603 -0.273 1.721 1.00 0.00 C ATOM 618 CD1 LEU A 44 0.182 0.318 0.561 1.00 0.00 C ATOM 619 CD2 LEU A 44 -0.847 0.779 2.793 1.00 0.00 C ATOM 0 H LEU A 44 -0.823 -3.004 1.714 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.737 -1.493 3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.769 -1.291 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.639 -0.038 1.106 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.014 -1.079 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.122 0.728 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.389 -0.461 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.401 1.111 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.108 1.183 3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.456 1.584 2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.368 0.325 3.636 1.00 0.00 H new ATOM 631 N LEU A 45 -3.889 -3.372 0.706 1.00 0.00 N ATOM 632 CA LEU A 45 -5.107 -3.881 0.085 1.00 0.00 C ATOM 633 C LEU A 45 -5.831 -4.847 1.017 1.00 0.00 C ATOM 634 O LEU A 45 -6.919 -4.552 1.513 1.00 0.00 O ATOM 635 CB LEU A 45 -4.777 -4.579 -1.235 1.00 0.00 C ATOM 636 CG LEU A 45 -3.877 -3.804 -2.198 1.00 0.00 C ATOM 637 CD1 LEU A 45 -3.365 -4.716 -3.302 1.00 0.00 C ATOM 638 CD2 LEU A 45 -4.625 -2.617 -2.788 1.00 0.00 C ATOM 0 H LEU A 45 -3.040 -3.869 0.437 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.765 -3.035 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.298 -5.532 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.712 -4.806 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.020 -3.427 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.726 -4.147 -3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.792 -5.533 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.209 -5.123 -3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.969 -2.077 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.501 -2.972 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.941 -1.951 -1.985 1.00 0.00 H new ATOM 650 N THR A 46 -5.220 -6.004 1.254 1.00 0.00 N ATOM 651 CA THR A 46 -5.805 -7.013 2.127 1.00 0.00 C ATOM 652 C THR A 46 -6.504 -6.370 3.319 1.00 0.00 C ATOM 653 O THR A 46 -7.550 -6.841 3.766 1.00 0.00 O ATOM 654 CB THR A 46 -4.738 -7.998 2.641 1.00 0.00 C ATOM 655 OG1 THR A 46 -5.359 -9.038 3.405 1.00 0.00 O ATOM 656 CG2 THR A 46 -3.707 -7.279 3.498 1.00 0.00 C ATOM 0 H THR A 46 -4.319 -6.265 0.853 1.00 0.00 H new ATOM 0 HA THR A 46 -6.537 -7.560 1.532 1.00 0.00 H new ATOM 0 HB THR A 46 -4.232 -8.434 1.780 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.674 -9.661 3.727 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.964 -7.994 3.850 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.216 -6.507 2.905 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.202 -6.820 4.354 1.00 0.00 H new ATOM 664 N SER A 47 -5.920 -5.291 3.831 1.00 0.00 N ATOM 665 CA SER A 47 -6.486 -4.585 4.974 1.00 0.00 C ATOM 666 C SER A 47 -7.315 -3.388 4.518 1.00 0.00 C ATOM 667 O SER A 47 -7.221 -2.301 5.086 1.00 0.00 O ATOM 668 CB SER A 47 -5.373 -4.120 5.915 1.00 0.00 C ATOM 669 OG SER A 47 -4.971 -5.163 6.785 1.00 0.00 O ATOM 0 H SER A 47 -5.055 -4.887 3.472 1.00 0.00 H new ATOM 0 HA SER A 47 -7.140 -5.275 5.508 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.518 -3.779 5.331 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.719 -3.268 6.500 1.00 0.00 H new ATOM 0 HG SER A 47 -4.258 -4.841 7.375 1.00 0.00 H new ATOM 675 N ASN A 48 -8.127 -3.598 3.486 1.00 0.00 N ATOM 676 CA ASN A 48 -8.973 -2.537 2.952 1.00 0.00 C ATOM 677 C ASN A 48 -10.407 -3.025 2.769 1.00 0.00 C ATOM 678 O ASN A 48 -10.714 -4.191 3.017 1.00 0.00 O ATOM 679 CB ASN A 48 -8.418 -2.038 1.616 1.00 0.00 C ATOM 680 CG ASN A 48 -8.977 -2.806 0.434 1.00 0.00 C ATOM 681 OD1 ASN A 48 -9.452 -3.933 0.581 1.00 0.00 O ATOM 682 ND2 ASN A 48 -8.922 -2.199 -0.745 1.00 0.00 N ATOM 0 H ASN A 48 -8.217 -4.492 3.004 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.976 -1.714 3.667 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.652 -0.980 1.501 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.332 -2.126 1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.282 -2.667 -1.577 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.520 -1.265 -0.819 1.00 0.00 H new ATOM 689 N LYS A 49 -11.281 -2.124 2.333 1.00 0.00 N ATOM 690 CA LYS A 49 -12.683 -2.461 2.115 1.00 0.00 C ATOM 691 C LYS A 49 -12.878 -3.122 0.754 1.00 0.00 C ATOM 692 O LYS A 49 -12.188 -2.792 -0.210 1.00 0.00 O ATOM 693 CB LYS A 49 -13.552 -1.206 2.213 1.00 0.00 C ATOM 694 CG LYS A 49 -13.410 -0.273 1.023 1.00 0.00 C ATOM 695 CD LYS A 49 -14.689 0.507 0.769 1.00 0.00 C ATOM 696 CE LYS A 49 -14.704 1.819 1.538 1.00 0.00 C ATOM 697 NZ LYS A 49 -16.022 2.505 1.439 1.00 0.00 N ATOM 0 H LYS A 49 -11.043 -1.155 2.124 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.986 -3.166 2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.596 -1.504 2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.291 -0.664 3.122 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.589 0.421 1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.153 -0.851 0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.788 0.708 -0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -15.548 -0.097 1.061 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.472 1.628 2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.923 2.475 1.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.991 3.395 1.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.233 2.710 0.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.764 1.890 1.830 1.00 0.00 H new ATOM 711 N GLN A 50 -13.822 -4.055 0.684 1.00 0.00 N ATOM 712 CA GLN A 50 -14.107 -4.761 -0.560 1.00 0.00 C ATOM 713 C GLN A 50 -14.208 -3.785 -1.728 1.00 0.00 C ATOM 714 O GLN A 50 -14.987 -2.833 -1.691 1.00 0.00 O ATOM 715 CB GLN A 50 -15.406 -5.558 -0.432 1.00 0.00 C ATOM 716 CG GLN A 50 -15.522 -6.696 -1.434 1.00 0.00 C ATOM 717 CD GLN A 50 -15.930 -6.219 -2.814 1.00 0.00 C ATOM 718 OE1 GLN A 50 -15.216 -6.434 -3.794 1.00 0.00 O ATOM 719 NE2 GLN A 50 -17.084 -5.568 -2.898 1.00 0.00 N ATOM 0 H GLN A 50 -14.402 -4.340 1.473 1.00 0.00 H new ATOM 0 HA GLN A 50 -13.285 -5.449 -0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -15.475 -5.965 0.577 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.251 -4.883 -0.562 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -14.566 -7.215 -1.501 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -16.253 -7.420 -1.073 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -17.644 -5.412 -2.060 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -17.411 -5.224 -3.801 1.00 0.00 H new ATOM 728 N LYS A 51 -13.414 -4.029 -2.766 1.00 0.00 N ATOM 729 CA LYS A 51 -13.414 -3.174 -3.947 1.00 0.00 C ATOM 730 C LYS A 51 -13.942 -3.926 -5.164 1.00 0.00 C ATOM 731 O LYS A 51 -13.705 -5.122 -5.335 1.00 0.00 O ATOM 732 CB LYS A 51 -12.001 -2.656 -4.227 1.00 0.00 C ATOM 733 CG LYS A 51 -11.051 -3.727 -4.735 1.00 0.00 C ATOM 734 CD LYS A 51 -9.603 -3.371 -4.444 1.00 0.00 C ATOM 735 CE LYS A 51 -8.653 -4.451 -4.939 1.00 0.00 C ATOM 736 NZ LYS A 51 -8.844 -5.735 -4.209 1.00 0.00 N ATOM 0 H LYS A 51 -12.762 -4.812 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.073 -2.328 -3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.056 -1.853 -4.962 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.593 -2.224 -3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.293 -4.681 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.186 -3.855 -5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.357 -2.422 -4.921 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.470 -3.232 -3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.811 -4.613 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.624 -4.113 -4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.056 -6.378 -4.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.870 -5.552 -3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.739 -6.173 -4.506 1.00 0.00 H new ATOM 750 N PRO A 52 -14.673 -3.211 -6.032 1.00 0.00 N ATOM 751 CA PRO A 52 -15.248 -3.791 -7.249 1.00 0.00 C ATOM 752 C PRO A 52 -14.183 -4.140 -8.283 1.00 0.00 C ATOM 753 O PRO A 52 -13.579 -3.255 -8.890 1.00 0.00 O ATOM 754 CB PRO A 52 -16.160 -2.680 -7.775 1.00 0.00 C ATOM 755 CG PRO A 52 -15.578 -1.422 -7.230 1.00 0.00 C ATOM 756 CD PRO A 52 -14.995 -1.781 -5.891 1.00 0.00 C ATOM 0 HA PRO A 52 -15.767 -4.728 -7.048 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -16.180 -2.667 -8.865 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -17.188 -2.819 -7.439 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -14.811 -1.026 -7.896 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -16.341 -0.651 -7.129 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -14.107 -1.189 -5.667 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -15.706 -1.607 -5.083 1.00 0.00 H new ATOM 764 N VAL A 53 -13.958 -5.435 -8.481 1.00 0.00 N ATOM 765 CA VAL A 53 -12.967 -5.901 -9.443 1.00 0.00 C ATOM 766 C VAL A 53 -13.630 -6.636 -10.603 1.00 0.00 C ATOM 767 O VAL A 53 -14.655 -7.295 -10.429 1.00 0.00 O ATOM 768 CB VAL A 53 -11.937 -6.835 -8.781 1.00 0.00 C ATOM 769 CG1 VAL A 53 -12.624 -8.057 -8.192 1.00 0.00 C ATOM 770 CG2 VAL A 53 -10.868 -7.244 -9.783 1.00 0.00 C ATOM 0 H VAL A 53 -14.449 -6.180 -7.987 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.454 -5.017 -9.822 1.00 0.00 H new ATOM 0 HB VAL A 53 -11.452 -6.295 -7.968 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.880 -8.705 -7.729 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.348 -7.741 -7.441 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.138 -8.603 -8.984 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.148 -7.904 -9.298 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.334 -7.766 -10.619 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.355 -6.355 -10.151 1.00 0.00 H new ATOM 780 N MET A 54 -13.038 -6.518 -11.787 1.00 0.00 N ATOM 781 CA MET A 54 -13.571 -7.172 -12.976 1.00 0.00 C ATOM 782 C MET A 54 -12.463 -7.880 -13.750 1.00 0.00 C ATOM 783 O MET A 54 -12.252 -7.616 -14.932 1.00 0.00 O ATOM 784 CB MET A 54 -14.267 -6.151 -13.878 1.00 0.00 C ATOM 785 CG MET A 54 -15.048 -6.782 -15.020 1.00 0.00 C ATOM 786 SD MET A 54 -16.446 -5.772 -15.546 1.00 0.00 S ATOM 787 CE MET A 54 -17.790 -6.579 -14.680 1.00 0.00 C ATOM 0 H MET A 54 -12.189 -5.976 -11.948 1.00 0.00 H new ATOM 0 HA MET A 54 -14.299 -7.917 -12.654 1.00 0.00 H new ATOM 0 HB2 MET A 54 -14.945 -5.548 -13.274 1.00 0.00 H new ATOM 0 HB3 MET A 54 -13.519 -5.474 -14.291 1.00 0.00 H new ATOM 0 HG2 MET A 54 -14.381 -6.941 -15.867 1.00 0.00 H new ATOM 0 HG3 MET A 54 -15.409 -7.763 -14.710 1.00 0.00 H new ATOM 0 HE1 MET A 54 -18.726 -6.068 -14.905 1.00 0.00 H new ATOM 0 HE2 MET A 54 -17.858 -7.618 -15.001 1.00 0.00 H new ATOM 0 HE3 MET A 54 -17.605 -6.542 -13.606 1.00 0.00 H new ATOM 797 N GLY A 55 -11.757 -8.781 -13.073 1.00 0.00 N ATOM 798 CA GLY A 55 -10.679 -9.512 -13.713 1.00 0.00 C ATOM 799 C GLY A 55 -10.568 -10.938 -13.211 1.00 0.00 C ATOM 800 O GLY A 55 -10.838 -11.232 -12.046 1.00 0.00 O ATOM 0 H GLY A 55 -11.912 -9.017 -12.093 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.840 -9.521 -14.791 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.737 -8.993 -13.536 1.00 0.00 H new ATOM 804 N PRO A 56 -10.162 -11.854 -14.103 1.00 0.00 N ATOM 805 CA PRO A 56 -10.008 -13.272 -13.767 1.00 0.00 C ATOM 806 C PRO A 56 -8.831 -13.521 -12.830 1.00 0.00 C ATOM 807 O PRO A 56 -7.820 -12.819 -12.864 1.00 0.00 O ATOM 808 CB PRO A 56 -9.759 -13.933 -15.125 1.00 0.00 C ATOM 809 CG PRO A 56 -9.181 -12.853 -15.972 1.00 0.00 C ATOM 810 CD PRO A 56 -9.823 -11.575 -15.509 1.00 0.00 C ATOM 0 HA PRO A 56 -10.878 -13.663 -13.240 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.073 -14.775 -15.035 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.684 -14.319 -15.553 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.098 -12.808 -15.861 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.386 -13.033 -17.027 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.143 -10.728 -15.598 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.709 -11.335 -16.096 1.00 0.00 H new ATOM 818 N PRO A 57 -8.962 -14.545 -11.973 1.00 0.00 N ATOM 819 CA PRO A 57 -7.918 -14.910 -11.011 1.00 0.00 C ATOM 820 C PRO A 57 -6.689 -15.507 -11.689 1.00 0.00 C ATOM 821 O PRO A 57 -6.799 -16.434 -12.491 1.00 0.00 O ATOM 822 CB PRO A 57 -8.601 -15.956 -10.127 1.00 0.00 C ATOM 823 CG PRO A 57 -9.669 -16.540 -10.986 1.00 0.00 C ATOM 824 CD PRO A 57 -10.139 -15.424 -11.878 1.00 0.00 C ATOM 0 HA PRO A 57 -7.548 -14.044 -10.462 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.895 -16.719 -9.800 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -9.020 -15.502 -9.229 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -9.285 -17.374 -11.574 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -10.489 -16.927 -10.381 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.445 -15.794 -12.857 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.996 -14.903 -11.452 1.00 0.00 H new ATOM 832 N SER A 58 -5.518 -14.969 -11.360 1.00 0.00 N ATOM 833 CA SER A 58 -4.268 -15.447 -11.939 1.00 0.00 C ATOM 834 C SER A 58 -3.410 -16.138 -10.884 1.00 0.00 C ATOM 835 O SER A 58 -3.692 -16.061 -9.690 1.00 0.00 O ATOM 836 CB SER A 58 -3.493 -14.284 -12.562 1.00 0.00 C ATOM 837 OG SER A 58 -4.198 -13.731 -13.660 1.00 0.00 O ATOM 0 H SER A 58 -5.409 -14.202 -10.696 1.00 0.00 H new ATOM 0 HA SER A 58 -4.510 -16.171 -12.717 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.322 -13.513 -11.811 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.514 -14.631 -12.892 1.00 0.00 H new ATOM 0 HG SER A 58 -3.683 -12.989 -14.039 1.00 0.00 H new ATOM 843 N GLY A 59 -2.358 -16.814 -11.337 1.00 0.00 N ATOM 844 CA GLY A 59 -1.473 -17.510 -10.420 1.00 0.00 C ATOM 845 C GLY A 59 -0.234 -16.703 -10.085 1.00 0.00 C ATOM 846 O GLY A 59 0.039 -15.666 -10.690 1.00 0.00 O ATOM 0 H GLY A 59 -2.103 -16.892 -12.321 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.013 -17.738 -9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.175 -18.462 -10.860 1.00 0.00 H new ATOM 850 N PRO A 60 0.539 -17.181 -9.099 1.00 0.00 N ATOM 851 CA PRO A 60 1.767 -16.511 -8.661 1.00 0.00 C ATOM 852 C PRO A 60 2.876 -16.596 -9.704 1.00 0.00 C ATOM 853 O PRO A 60 2.683 -17.149 -10.787 1.00 0.00 O ATOM 854 CB PRO A 60 2.161 -17.282 -7.398 1.00 0.00 C ATOM 855 CG PRO A 60 1.550 -18.630 -7.572 1.00 0.00 C ATOM 856 CD PRO A 60 0.273 -18.411 -8.335 1.00 0.00 C ATOM 0 HA PRO A 60 1.613 -15.445 -8.495 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.244 -17.348 -7.296 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.786 -16.790 -6.501 1.00 0.00 H new ATOM 0 HG2 PRO A 60 2.221 -19.295 -8.116 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.353 -19.096 -6.607 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.048 -19.251 -8.992 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.579 -18.292 -7.666 1.00 0.00 H new ATOM 864 N SER A 61 4.039 -16.045 -9.371 1.00 0.00 N ATOM 865 CA SER A 61 5.179 -16.056 -10.280 1.00 0.00 C ATOM 866 C SER A 61 6.398 -16.688 -9.616 1.00 0.00 C ATOM 867 O SER A 61 7.142 -16.022 -8.896 1.00 0.00 O ATOM 868 CB SER A 61 5.511 -14.632 -10.732 1.00 0.00 C ATOM 869 OG SER A 61 4.393 -14.020 -11.352 1.00 0.00 O ATOM 0 H SER A 61 4.216 -15.585 -8.478 1.00 0.00 H new ATOM 0 HA SER A 61 4.912 -16.654 -11.151 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.825 -14.038 -9.873 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.350 -14.654 -11.428 1.00 0.00 H new ATOM 0 HG SER A 61 4.630 -13.111 -11.630 1.00 0.00 H new ATOM 875 N SER A 62 6.597 -17.979 -9.864 1.00 0.00 N ATOM 876 CA SER A 62 7.723 -18.704 -9.288 1.00 0.00 C ATOM 877 C SER A 62 8.649 -19.227 -10.382 1.00 0.00 C ATOM 878 O SER A 62 9.833 -18.897 -10.419 1.00 0.00 O ATOM 879 CB SER A 62 7.223 -19.866 -8.428 1.00 0.00 C ATOM 880 OG SER A 62 6.512 -19.394 -7.296 1.00 0.00 O ATOM 0 H SER A 62 5.993 -18.544 -10.460 1.00 0.00 H new ATOM 0 HA SER A 62 8.285 -18.013 -8.660 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.578 -20.512 -9.023 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.069 -20.472 -8.103 1.00 0.00 H new ATOM 0 HG SER A 62 6.202 -20.156 -6.764 1.00 0.00 H new ATOM 886 N GLY A 63 8.098 -20.048 -11.272 1.00 0.00 N ATOM 887 CA GLY A 63 8.888 -20.605 -12.355 1.00 0.00 C ATOM 888 C GLY A 63 9.294 -22.042 -12.096 1.00 0.00 C ATOM 889 O GLY A 63 10.477 -22.379 -12.150 1.00 0.00 O ATOM 0 H GLY A 63 7.120 -20.337 -11.262 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.316 -20.554 -13.282 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.782 -19.998 -12.498 1.00 0.00 H new TER 893 GLY A 63