USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 563 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 7 THR OG1 : rot 171:sc= 0.593 USER MOD Set 1.2: A 9 THR OG1 : rot -64:sc= 0.0364 USER MOD Single : A 6 LYS NZ :NH3+ -135:sc= -2.13! (180deg=-4.68!) USER MOD Single : A 11 LYS NZ :NH3+ -155:sc= -0.35 (180deg=-1.44!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -72:sc= 1.98 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 27 LYS NZ :NH3+ -118:sc= 0.433 (180deg=-1.41!) USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0103) USER MOD Single : A 31 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00611 K(o=-0.0061,f=-1.4!) USER MOD Single : A 41 GLN : amide:sc= -3.43 K(o=-3.4,f=-8.6!) USER MOD Single : A 48 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0205) USER MOD Single : A 49 GLN : amide:sc= -0.26 K(o=-0.26,f=-1.1) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.606 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.03! C(o=-2!,f=-1.3!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -170:sc= -0.669 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 75.264 -12.518 2.599 1.00 0.00 N ATOM 38 CA ILE A 3 74.335 -12.313 1.493 1.00 0.00 C ATOM 39 C ILE A 3 74.953 -11.358 0.477 1.00 0.00 C ATOM 40 O ILE A 3 76.018 -10.792 0.723 1.00 0.00 O ATOM 41 CB ILE A 3 73.035 -11.691 2.012 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.365 -10.503 2.919 1.00 0.00 C ATOM 43 CG2 ILE A 3 72.240 -12.726 2.808 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.102 -9.672 3.137 1.00 0.00 C ATOM 0 HA ILE A 3 74.126 -13.276 1.028 1.00 0.00 H new ATOM 0 HB ILE A 3 72.439 -11.355 1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.752 -10.856 3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.145 -9.890 2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 3 71.318 -12.274 3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 3 72.000 -13.573 2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 3 72.835 -13.070 3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.331 -8.824 3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 3 71.735 -9.308 2.177 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.337 -10.290 3.607 1.00 0.00 H new ATOM 56 N PHE A 4 74.291 -11.195 -0.663 1.00 0.00 N ATOM 57 CA PHE A 4 74.799 -10.315 -1.713 1.00 0.00 C ATOM 58 C PHE A 4 73.813 -9.191 -2.012 1.00 0.00 C ATOM 59 O PHE A 4 72.607 -9.420 -2.094 1.00 0.00 O ATOM 60 CB PHE A 4 75.042 -11.126 -2.986 1.00 0.00 C ATOM 61 CG PHE A 4 76.120 -12.153 -2.733 1.00 0.00 C ATOM 62 CD1 PHE A 4 75.769 -13.485 -2.488 1.00 0.00 C ATOM 63 CD2 PHE A 4 77.468 -11.773 -2.740 1.00 0.00 C ATOM 64 CE1 PHE A 4 76.766 -14.439 -2.250 1.00 0.00 C ATOM 65 CE2 PHE A 4 78.465 -12.727 -2.502 1.00 0.00 C ATOM 66 CZ PHE A 4 78.113 -14.061 -2.258 1.00 0.00 C ATOM 0 H PHE A 4 73.408 -11.656 -0.884 1.00 0.00 H new ATOM 0 HA PHE A 4 75.733 -9.873 -1.366 1.00 0.00 H new ATOM 0 HB2 PHE A 4 74.121 -11.619 -3.297 1.00 0.00 H new ATOM 0 HB3 PHE A 4 75.339 -10.465 -3.800 1.00 0.00 H new ATOM 0 HD1 PHE A 4 74.729 -13.777 -2.482 1.00 0.00 H new ATOM 0 HD2 PHE A 4 77.738 -10.745 -2.929 1.00 0.00 H new ATOM 0 HE1 PHE A 4 76.495 -15.467 -2.060 1.00 0.00 H new ATOM 0 HE2 PHE A 4 79.505 -12.435 -2.507 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.882 -14.798 -2.076 1.00 0.00 H new ATOM 76 N VAL A 5 74.339 -7.981 -2.185 1.00 0.00 N ATOM 77 CA VAL A 5 73.505 -6.823 -2.494 1.00 0.00 C ATOM 78 C VAL A 5 73.990 -6.163 -3.780 1.00 0.00 C ATOM 79 O VAL A 5 75.096 -5.629 -3.834 1.00 0.00 O ATOM 80 CB VAL A 5 73.552 -5.812 -1.345 1.00 0.00 C ATOM 81 CG1 VAL A 5 72.654 -4.618 -1.676 1.00 0.00 C ATOM 82 CG2 VAL A 5 73.058 -6.482 -0.059 1.00 0.00 C ATOM 0 H VAL A 5 75.336 -7.777 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 5 72.476 -7.158 -2.627 1.00 0.00 H new ATOM 0 HB VAL A 5 74.576 -5.466 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 5 72.688 -3.899 -0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 5 73.004 -4.142 -2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 5 71.629 -4.961 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 5 73.090 -5.764 0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 5 72.034 -6.827 -0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.698 -7.332 0.177 1.00 0.00 H new ATOM 92 N LYS A 6 73.161 -6.210 -4.816 1.00 0.00 N ATOM 93 CA LYS A 6 73.525 -5.622 -6.102 1.00 0.00 C ATOM 94 C LYS A 6 72.868 -4.259 -6.282 1.00 0.00 C ATOM 95 O LYS A 6 71.683 -4.087 -5.997 1.00 0.00 O ATOM 96 CB LYS A 6 73.090 -6.556 -7.235 1.00 0.00 C ATOM 97 CG LYS A 6 74.296 -7.342 -7.758 1.00 0.00 C ATOM 98 CD LYS A 6 73.811 -8.622 -8.440 1.00 0.00 C ATOM 99 CE LYS A 6 72.767 -8.281 -9.504 1.00 0.00 C ATOM 100 NZ LYS A 6 71.423 -8.169 -8.870 1.00 0.00 N ATOM 0 H LYS A 6 72.239 -6.645 -4.793 1.00 0.00 H new ATOM 0 HA LYS A 6 74.607 -5.490 -6.128 1.00 0.00 H new ATOM 0 HB2 LYS A 6 72.325 -7.244 -6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 6 72.644 -5.977 -8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 6 74.863 -6.734 -8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 6 74.969 -7.587 -6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 6 74.653 -9.142 -8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 6 73.382 -9.298 -7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 6 73.027 -7.344 -9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 6 72.753 -9.052 -10.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 70.722 -8.673 -9.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 71.452 -8.589 -7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 71.156 -7.167 -8.798 1.00 0.00 H new ATOM 114 N THR A 7 73.649 -3.296 -6.761 1.00 0.00 N ATOM 115 CA THR A 7 73.142 -1.947 -6.985 1.00 0.00 C ATOM 116 C THR A 7 72.981 -1.677 -8.477 1.00 0.00 C ATOM 117 O THR A 7 73.317 -2.519 -9.309 1.00 0.00 O ATOM 118 CB THR A 7 74.105 -0.920 -6.382 1.00 0.00 C ATOM 119 OG1 THR A 7 75.200 -0.726 -7.267 1.00 0.00 O ATOM 120 CG2 THR A 7 74.619 -1.428 -5.035 1.00 0.00 C ATOM 0 H THR A 7 74.632 -3.424 -7.001 1.00 0.00 H new ATOM 0 HA THR A 7 72.168 -1.861 -6.503 1.00 0.00 H new ATOM 0 HB THR A 7 73.583 0.026 -6.234 1.00 0.00 H new ATOM 0 HG1 THR A 7 75.740 0.031 -6.958 1.00 0.00 H new ATOM 0 HG21 THR A 7 75.304 -0.696 -4.607 1.00 0.00 H new ATOM 0 HG22 THR A 7 73.778 -1.577 -4.358 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.142 -2.374 -5.178 1.00 0.00 H new ATOM 128 N LEU A 8 72.468 -0.498 -8.808 1.00 0.00 N ATOM 129 CA LEU A 8 72.268 -0.125 -10.203 1.00 0.00 C ATOM 130 C LEU A 8 73.602 -0.080 -10.940 1.00 0.00 C ATOM 131 O LEU A 8 73.643 -0.048 -12.170 1.00 0.00 O ATOM 132 CB LEU A 8 71.599 1.249 -10.276 1.00 0.00 C ATOM 133 CG LEU A 8 70.094 1.113 -10.017 1.00 0.00 C ATOM 134 CD1 LEU A 8 69.406 0.408 -11.194 1.00 0.00 C ATOM 135 CD2 LEU A 8 69.862 0.302 -8.740 1.00 0.00 C ATOM 0 H LEU A 8 72.184 0.213 -8.134 1.00 0.00 H new ATOM 0 HA LEU A 8 71.629 -0.871 -10.676 1.00 0.00 H new ATOM 0 HB2 LEU A 8 72.044 1.919 -9.540 1.00 0.00 H new ATOM 0 HB3 LEU A 8 71.769 1.694 -11.256 1.00 0.00 H new ATOM 0 HG LEU A 8 69.671 2.111 -9.905 1.00 0.00 H new ATOM 0 HD11 LEU A 8 68.338 0.321 -10.992 1.00 0.00 H new ATOM 0 HD12 LEU A 8 69.557 0.988 -12.104 1.00 0.00 H new ATOM 0 HD13 LEU A 8 69.834 -0.586 -11.323 1.00 0.00 H new ATOM 0 HD21 LEU A 8 68.791 0.207 -8.559 1.00 0.00 H new ATOM 0 HD22 LEU A 8 70.300 -0.690 -8.854 1.00 0.00 H new ATOM 0 HD23 LEU A 8 70.329 0.810 -7.896 1.00 0.00 H new ATOM 147 N THR A 9 74.690 -0.072 -10.177 1.00 0.00 N ATOM 148 CA THR A 9 76.023 -0.026 -10.766 1.00 0.00 C ATOM 149 C THR A 9 76.600 -1.432 -10.906 1.00 0.00 C ATOM 150 O THR A 9 77.760 -1.603 -11.279 1.00 0.00 O ATOM 151 CB THR A 9 76.946 0.826 -9.892 1.00 0.00 C ATOM 152 OG1 THR A 9 77.597 -0.006 -8.942 1.00 0.00 O ATOM 153 CG2 THR A 9 76.121 1.890 -9.164 1.00 0.00 C ATOM 0 H THR A 9 74.676 -0.097 -9.157 1.00 0.00 H new ATOM 0 HA THR A 9 75.948 0.419 -11.758 1.00 0.00 H new ATOM 0 HB THR A 9 77.693 1.314 -10.518 1.00 0.00 H new ATOM 0 HG1 THR A 9 76.932 -0.390 -8.333 1.00 0.00 H new ATOM 0 HG21 THR A 9 76.778 2.497 -8.541 1.00 0.00 H new ATOM 0 HG22 THR A 9 75.623 2.527 -9.895 1.00 0.00 H new ATOM 0 HG23 THR A 9 75.373 1.405 -8.537 1.00 0.00 H new ATOM 161 N GLY A 10 75.781 -2.435 -10.604 1.00 0.00 N ATOM 162 CA GLY A 10 76.220 -3.821 -10.701 1.00 0.00 C ATOM 163 C GLY A 10 77.190 -4.169 -9.576 1.00 0.00 C ATOM 164 O GLY A 10 77.751 -5.264 -9.544 1.00 0.00 O ATOM 0 H GLY A 10 74.817 -2.315 -10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.356 -4.484 -10.658 1.00 0.00 H new ATOM 0 HA3 GLY A 10 76.701 -3.987 -11.665 1.00 0.00 H new ATOM 168 N LYS A 11 77.381 -3.231 -8.654 1.00 0.00 N ATOM 169 CA LYS A 11 78.285 -3.452 -7.531 1.00 0.00 C ATOM 170 C LYS A 11 77.670 -4.429 -6.535 1.00 0.00 C ATOM 171 O LYS A 11 76.629 -4.150 -5.939 1.00 0.00 O ATOM 172 CB LYS A 11 78.583 -2.124 -6.832 1.00 0.00 C ATOM 173 CG LYS A 11 79.604 -2.352 -5.716 1.00 0.00 C ATOM 174 CD LYS A 11 80.196 -1.009 -5.285 1.00 0.00 C ATOM 175 CE LYS A 11 80.833 -1.153 -3.902 1.00 0.00 C ATOM 176 NZ LYS A 11 79.790 -1.540 -2.912 1.00 0.00 N ATOM 0 H LYS A 11 76.926 -2.318 -8.661 1.00 0.00 H new ATOM 0 HA LYS A 11 79.214 -3.877 -7.912 1.00 0.00 H new ATOM 0 HB2 LYS A 11 78.969 -1.401 -7.551 1.00 0.00 H new ATOM 0 HB3 LYS A 11 77.666 -1.704 -6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 11 79.127 -2.841 -4.866 1.00 0.00 H new ATOM 0 HG3 LYS A 11 80.396 -3.016 -6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 11 80.942 -0.679 -6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 11 79.417 -0.247 -5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 11 81.621 -1.906 -3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 11 81.300 -0.214 -3.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 80.084 -1.237 -1.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 78.890 -1.081 -3.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 79.667 -2.573 -2.923 1.00 0.00 H new ATOM 190 N THR A 12 78.320 -5.575 -6.358 1.00 0.00 N ATOM 191 CA THR A 12 77.826 -6.585 -5.429 1.00 0.00 C ATOM 192 C THR A 12 78.554 -6.489 -4.092 1.00 0.00 C ATOM 193 O THR A 12 79.753 -6.757 -4.006 1.00 0.00 O ATOM 194 CB THR A 12 78.027 -7.984 -6.020 1.00 0.00 C ATOM 195 OG1 THR A 12 77.577 -7.994 -7.368 1.00 0.00 O ATOM 196 CG2 THR A 12 77.231 -9.007 -5.207 1.00 0.00 C ATOM 0 H THR A 12 79.183 -5.826 -6.841 1.00 0.00 H new ATOM 0 HA THR A 12 76.763 -6.408 -5.265 1.00 0.00 H new ATOM 0 HB THR A 12 79.085 -8.244 -5.986 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.706 -8.888 -7.749 1.00 0.00 H new ATOM 0 HG21 THR A 12 77.376 -10.001 -5.630 1.00 0.00 H new ATOM 0 HG22 THR A 12 77.577 -8.999 -4.173 1.00 0.00 H new ATOM 0 HG23 THR A 12 76.172 -8.751 -5.237 1.00 0.00 H new ATOM 204 N ILE A 13 77.820 -6.112 -3.049 1.00 0.00 N ATOM 205 CA ILE A 13 78.411 -5.992 -1.719 1.00 0.00 C ATOM 206 C ILE A 13 78.075 -7.217 -0.876 1.00 0.00 C ATOM 207 O ILE A 13 76.906 -7.528 -0.652 1.00 0.00 O ATOM 208 CB ILE A 13 77.886 -4.739 -1.012 1.00 0.00 C ATOM 209 CG1 ILE A 13 77.197 -3.824 -2.026 1.00 0.00 C ATOM 210 CG2 ILE A 13 79.050 -3.992 -0.353 1.00 0.00 C ATOM 211 CD1 ILE A 13 76.939 -2.455 -1.391 1.00 0.00 C ATOM 0 H ILE A 13 76.826 -5.887 -3.097 1.00 0.00 H new ATOM 0 HA ILE A 13 79.492 -5.917 -1.835 1.00 0.00 H new ATOM 0 HB ILE A 13 77.168 -5.034 -0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 13 77.821 -3.713 -2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.256 -4.268 -2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.673 -3.101 0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.533 -4.642 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.773 -3.701 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.448 -1.805 -2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.298 -2.574 -0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 13 77.887 -2.010 -1.088 1.00 0.00 H new ATOM 223 N THR A 14 79.109 -7.905 -0.403 1.00 0.00 N ATOM 224 CA THR A 14 78.909 -9.088 0.425 1.00 0.00 C ATOM 225 C THR A 14 79.039 -8.718 1.899 1.00 0.00 C ATOM 226 O THR A 14 80.011 -8.081 2.302 1.00 0.00 O ATOM 227 CB THR A 14 79.947 -10.156 0.067 1.00 0.00 C ATOM 228 OG1 THR A 14 79.892 -10.418 -1.328 1.00 0.00 O ATOM 229 CG2 THR A 14 79.652 -11.440 0.841 1.00 0.00 C ATOM 0 H THR A 14 80.085 -7.666 -0.577 1.00 0.00 H new ATOM 0 HA THR A 14 77.910 -9.484 0.242 1.00 0.00 H new ATOM 0 HB THR A 14 80.942 -9.798 0.332 1.00 0.00 H new ATOM 0 HG1 THR A 14 79.076 -10.919 -1.535 1.00 0.00 H new ATOM 0 HG21 THR A 14 80.392 -12.198 0.584 1.00 0.00 H new ATOM 0 HG22 THR A 14 79.696 -11.238 1.911 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.657 -11.801 0.581 1.00 0.00 H new ATOM 237 N LEU A 15 78.052 -9.109 2.699 1.00 0.00 N ATOM 238 CA LEU A 15 78.071 -8.792 4.123 1.00 0.00 C ATOM 239 C LEU A 15 77.556 -9.965 4.950 1.00 0.00 C ATOM 240 O LEU A 15 76.854 -10.838 4.443 1.00 0.00 O ATOM 241 CB LEU A 15 77.189 -7.567 4.424 1.00 0.00 C ATOM 242 CG LEU A 15 77.102 -6.625 3.214 1.00 0.00 C ATOM 243 CD1 LEU A 15 76.042 -5.558 3.488 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.455 -5.945 2.991 1.00 0.00 C ATOM 0 H LEU A 15 77.238 -9.640 2.390 1.00 0.00 H new ATOM 0 HA LEU A 15 79.106 -8.578 4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.188 -7.897 4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.595 -7.026 5.279 1.00 0.00 H new ATOM 0 HG LEU A 15 76.835 -7.197 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 15 75.974 -4.885 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 15 75.077 -6.037 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.319 -4.990 4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.390 -5.277 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.724 -5.370 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.217 -6.702 2.805 1.00 0.00 H new ATOM 256 N GLU A 16 77.888 -9.956 6.238 1.00 0.00 N ATOM 257 CA GLU A 16 77.431 -11.000 7.146 1.00 0.00 C ATOM 258 C GLU A 16 76.173 -10.520 7.857 1.00 0.00 C ATOM 259 O GLU A 16 76.172 -9.445 8.459 1.00 0.00 O ATOM 260 CB GLU A 16 78.517 -11.330 8.176 1.00 0.00 C ATOM 261 CG GLU A 16 79.512 -10.170 8.268 1.00 0.00 C ATOM 262 CD GLU A 16 78.781 -8.874 8.601 1.00 0.00 C ATOM 263 OE1 GLU A 16 78.744 -8.003 7.749 1.00 0.00 O ATOM 264 OE2 GLU A 16 78.277 -8.769 9.707 1.00 0.00 O ATOM 0 H GLU A 16 78.469 -9.240 6.674 1.00 0.00 H new ATOM 0 HA GLU A 16 77.214 -11.903 6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 16 78.064 -11.511 9.151 1.00 0.00 H new ATOM 0 HB3 GLU A 16 79.036 -12.245 7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 16 80.259 -10.382 9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 16 80.045 -10.063 7.323 1.00 0.00 H new ATOM 271 N VAL A 17 75.097 -11.295 7.762 1.00 0.00 N ATOM 272 CA VAL A 17 73.838 -10.895 8.380 1.00 0.00 C ATOM 273 C VAL A 17 73.139 -12.068 9.069 1.00 0.00 C ATOM 274 O VAL A 17 73.455 -13.232 8.822 1.00 0.00 O ATOM 275 CB VAL A 17 72.921 -10.307 7.308 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.647 -9.176 6.577 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.536 -11.397 6.306 1.00 0.00 C ATOM 0 H VAL A 17 75.070 -12.189 7.272 1.00 0.00 H new ATOM 0 HA VAL A 17 74.058 -10.150 9.145 1.00 0.00 H new ATOM 0 HB VAL A 17 72.020 -9.915 7.780 1.00 0.00 H new ATOM 0 HG11 VAL A 17 72.992 -8.757 5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 17 73.917 -8.397 7.290 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.549 -9.567 6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.882 -10.975 5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 17 73.436 -11.792 5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 17 72.015 -12.201 6.826 1.00 0.00 H new ATOM 287 N GLU A 18 72.181 -11.737 9.935 1.00 0.00 N ATOM 288 CA GLU A 18 71.421 -12.744 10.673 1.00 0.00 C ATOM 289 C GLU A 18 69.916 -12.508 10.481 1.00 0.00 C ATOM 290 O GLU A 18 69.524 -11.583 9.782 1.00 0.00 O ATOM 291 CB GLU A 18 71.781 -12.658 12.159 1.00 0.00 C ATOM 292 CG GLU A 18 73.172 -12.037 12.310 1.00 0.00 C ATOM 293 CD GLU A 18 73.682 -12.247 13.731 1.00 0.00 C ATOM 294 OE1 GLU A 18 74.392 -13.216 13.948 1.00 0.00 O ATOM 295 OE2 GLU A 18 73.350 -11.440 14.584 1.00 0.00 O ATOM 0 H GLU A 18 71.913 -10.775 10.143 1.00 0.00 H new ATOM 0 HA GLU A 18 71.670 -13.736 10.297 1.00 0.00 H new ATOM 0 HB2 GLU A 18 71.043 -12.056 12.689 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.764 -13.652 12.607 1.00 0.00 H new ATOM 0 HG2 GLU A 18 73.861 -12.489 11.596 1.00 0.00 H new ATOM 0 HG3 GLU A 18 73.131 -10.972 12.083 1.00 0.00 H new ATOM 302 N PRO A 19 69.061 -13.309 11.074 1.00 0.00 N ATOM 303 CA PRO A 19 67.584 -13.133 10.932 1.00 0.00 C ATOM 304 C PRO A 19 67.055 -11.921 11.713 1.00 0.00 C ATOM 305 O PRO A 19 65.847 -11.709 11.780 1.00 0.00 O ATOM 306 CB PRO A 19 66.982 -14.431 11.490 1.00 0.00 C ATOM 307 CG PRO A 19 68.130 -15.330 11.830 1.00 0.00 C ATOM 308 CD PRO A 19 69.381 -14.459 11.925 1.00 0.00 C ATOM 0 HA PRO A 19 67.313 -12.946 9.893 1.00 0.00 H new ATOM 0 HB2 PRO A 19 66.376 -14.228 12.373 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.328 -14.901 10.755 1.00 0.00 H new ATOM 0 HG2 PRO A 19 67.948 -15.844 12.774 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.255 -16.098 11.067 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.582 -14.155 12.952 1.00 0.00 H new ATOM 0 HD3 PRO A 19 70.266 -14.987 11.570 1.00 0.00 H new ATOM 316 N SER A 20 67.964 -11.130 12.291 1.00 0.00 N ATOM 317 CA SER A 20 67.567 -9.935 13.051 1.00 0.00 C ATOM 318 C SER A 20 68.136 -8.690 12.370 1.00 0.00 C ATOM 319 O SER A 20 68.049 -7.570 12.872 1.00 0.00 O ATOM 320 CB SER A 20 68.076 -10.024 14.491 1.00 0.00 C ATOM 321 OG SER A 20 69.454 -10.374 14.480 1.00 0.00 O ATOM 0 H SER A 20 68.970 -11.291 12.250 1.00 0.00 H new ATOM 0 HA SER A 20 66.479 -9.872 13.074 1.00 0.00 H new ATOM 0 HB2 SER A 20 67.935 -9.070 14.999 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.504 -10.768 15.046 1.00 0.00 H new ATOM 0 HG SER A 20 69.785 -10.430 15.401 1.00 0.00 H new ATOM 327 N ASP A 21 68.689 -8.943 11.205 1.00 0.00 N ATOM 328 CA ASP A 21 69.283 -7.941 10.327 1.00 0.00 C ATOM 329 C ASP A 21 68.197 -7.247 9.548 1.00 0.00 C ATOM 330 O ASP A 21 68.218 -7.204 8.318 1.00 0.00 O ATOM 331 CB ASP A 21 70.289 -8.547 9.380 1.00 0.00 C ATOM 332 CG ASP A 21 71.626 -8.745 10.086 1.00 0.00 C ATOM 333 OD1 ASP A 21 72.615 -8.234 9.585 1.00 0.00 O ATOM 334 OD2 ASP A 21 71.639 -9.377 11.129 1.00 0.00 O ATOM 0 H ASP A 21 68.743 -9.887 10.822 1.00 0.00 H new ATOM 0 HA ASP A 21 69.813 -7.221 10.950 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.920 -9.504 9.010 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.420 -7.899 8.514 1.00 0.00 H new ATOM 339 N THR A 22 67.182 -6.831 10.258 1.00 0.00 N ATOM 340 CA THR A 22 66.010 -6.283 9.606 1.00 0.00 C ATOM 341 C THR A 22 66.347 -5.014 8.857 1.00 0.00 C ATOM 342 O THR A 22 67.217 -4.248 9.246 1.00 0.00 O ATOM 343 CB THR A 22 64.980 -5.902 10.669 1.00 0.00 C ATOM 344 OG1 THR A 22 65.063 -4.503 10.914 1.00 0.00 O ATOM 345 CG2 THR A 22 65.277 -6.655 11.960 1.00 0.00 C ATOM 0 H THR A 22 67.137 -6.858 11.277 1.00 0.00 H new ATOM 0 HA THR A 22 65.630 -7.037 8.916 1.00 0.00 H new ATOM 0 HB THR A 22 63.980 -6.161 10.320 1.00 0.00 H new ATOM 0 HG1 THR A 22 64.404 -4.250 11.594 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.542 -6.383 12.717 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.227 -7.728 11.775 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.275 -6.394 12.312 1.00 0.00 H new ATOM 353 N ILE A 23 65.646 -4.859 7.737 1.00 0.00 N ATOM 354 CA ILE A 23 65.823 -3.737 6.830 1.00 0.00 C ATOM 355 C ILE A 23 66.374 -2.512 7.551 1.00 0.00 C ATOM 356 O ILE A 23 67.254 -1.824 7.037 1.00 0.00 O ATOM 357 CB ILE A 23 64.474 -3.412 6.195 1.00 0.00 C ATOM 358 CG1 ILE A 23 63.669 -4.707 5.970 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.673 -2.691 4.865 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.512 -5.766 5.233 1.00 0.00 C ATOM 0 H ILE A 23 64.931 -5.520 7.433 1.00 0.00 H new ATOM 0 HA ILE A 23 66.548 -4.012 6.064 1.00 0.00 H new ATOM 0 HB ILE A 23 63.921 -2.760 6.871 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.339 -5.105 6.930 1.00 0.00 H new ATOM 0 HG13 ILE A 23 62.772 -4.485 5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.702 -2.466 4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.219 -1.763 5.032 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.240 -3.329 4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 23 63.918 -6.668 5.089 1.00 0.00 H new ATOM 0 HD12 ILE A 23 64.820 -5.375 4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 23 65.395 -6.004 5.825 1.00 0.00 H new ATOM 372 N GLU A 24 65.861 -2.251 8.746 1.00 0.00 N ATOM 373 CA GLU A 24 66.324 -1.111 9.527 1.00 0.00 C ATOM 374 C GLU A 24 67.801 -1.281 9.882 1.00 0.00 C ATOM 375 O GLU A 24 68.611 -0.381 9.664 1.00 0.00 O ATOM 376 CB GLU A 24 65.485 -0.984 10.800 1.00 0.00 C ATOM 377 CG GLU A 24 66.054 0.131 11.679 1.00 0.00 C ATOM 378 CD GLU A 24 67.026 -0.452 12.697 1.00 0.00 C ATOM 379 OE1 GLU A 24 66.571 -0.876 13.747 1.00 0.00 O ATOM 380 OE2 GLU A 24 68.212 -0.469 12.413 1.00 0.00 O ATOM 0 H GLU A 24 65.131 -2.807 9.193 1.00 0.00 H new ATOM 0 HA GLU A 24 66.212 -0.203 8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.448 -0.766 10.544 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.487 -1.928 11.345 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.563 0.870 11.060 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.244 0.649 12.193 1.00 0.00 H new ATOM 387 N ASN A 25 68.142 -2.452 10.412 1.00 0.00 N ATOM 388 CA ASN A 25 69.522 -2.755 10.780 1.00 0.00 C ATOM 389 C ASN A 25 70.381 -2.936 9.531 1.00 0.00 C ATOM 390 O ASN A 25 71.504 -2.436 9.459 1.00 0.00 O ATOM 391 CB ASN A 25 69.570 -4.044 11.609 1.00 0.00 C ATOM 392 CG ASN A 25 70.547 -3.879 12.768 1.00 0.00 C ATOM 393 OD1 ASN A 25 70.332 -3.047 13.648 1.00 0.00 O ATOM 394 ND2 ASN A 25 71.618 -4.624 12.817 1.00 0.00 N ATOM 0 H ASN A 25 67.482 -3.207 10.596 1.00 0.00 H new ATOM 0 HA ASN A 25 69.911 -1.923 11.366 1.00 0.00 H new ATOM 0 HB2 ASN A 25 68.576 -4.279 11.990 1.00 0.00 H new ATOM 0 HB3 ASN A 25 69.876 -4.880 10.980 1.00 0.00 H new ATOM 0 HD21 ASN A 25 72.279 -4.517 13.586 1.00 0.00 H new ATOM 0 HD22 ASN A 25 71.794 -5.313 12.086 1.00 0.00 H new ATOM 401 N ALA A 26 69.848 -3.663 8.553 1.00 0.00 N ATOM 402 CA ALA A 26 70.573 -3.916 7.312 1.00 0.00 C ATOM 403 C ALA A 26 70.905 -2.609 6.600 1.00 0.00 C ATOM 404 O ALA A 26 72.010 -2.436 6.088 1.00 0.00 O ATOM 405 CB ALA A 26 69.734 -4.802 6.389 1.00 0.00 C ATOM 0 H ALA A 26 68.921 -4.086 8.595 1.00 0.00 H new ATOM 0 HA ALA A 26 71.505 -4.424 7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.282 -4.986 5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.528 -5.751 6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.794 -4.301 6.160 1.00 0.00 H new ATOM 411 N LYS A 27 69.945 -1.694 6.572 1.00 0.00 N ATOM 412 CA LYS A 27 70.152 -0.407 5.918 1.00 0.00 C ATOM 413 C LYS A 27 71.307 0.340 6.574 1.00 0.00 C ATOM 414 O LYS A 27 72.044 1.070 5.913 1.00 0.00 O ATOM 415 CB LYS A 27 68.876 0.434 6.009 1.00 0.00 C ATOM 416 CG LYS A 27 67.926 0.054 4.872 1.00 0.00 C ATOM 417 CD LYS A 27 66.513 0.537 5.204 1.00 0.00 C ATOM 418 CE LYS A 27 65.663 0.555 3.932 1.00 0.00 C ATOM 419 NZ LYS A 27 65.561 1.952 3.425 1.00 0.00 N ATOM 0 H LYS A 27 69.023 -1.816 6.990 1.00 0.00 H new ATOM 0 HA LYS A 27 70.395 -0.582 4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.390 0.272 6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.123 1.494 5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.264 0.501 3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 27 67.928 -1.026 4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.059 -0.119 5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.552 1.535 5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 27 66.110 -0.087 3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 27 64.669 0.158 4.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 64.565 2.253 3.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 66.119 2.584 4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 65.927 1.996 2.453 1.00 0.00 H new ATOM 433 N ALA A 28 71.459 0.149 7.881 1.00 0.00 N ATOM 434 CA ALA A 28 72.529 0.806 8.621 1.00 0.00 C ATOM 435 C ALA A 28 73.885 0.216 8.241 1.00 0.00 C ATOM 436 O ALA A 28 74.882 0.931 8.159 1.00 0.00 O ATOM 437 CB ALA A 28 72.302 0.639 10.125 1.00 0.00 C ATOM 0 H ALA A 28 70.858 -0.452 8.446 1.00 0.00 H new ATOM 0 HA ALA A 28 72.523 1.866 8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.106 1.133 10.671 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.347 1.087 10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.291 -0.422 10.376 1.00 0.00 H new ATOM 443 N LYS A 29 73.910 -1.094 8.012 1.00 0.00 N ATOM 444 CA LYS A 29 75.147 -1.771 7.642 1.00 0.00 C ATOM 445 C LYS A 29 75.686 -1.227 6.323 1.00 0.00 C ATOM 446 O LYS A 29 76.885 -0.990 6.181 1.00 0.00 O ATOM 447 CB LYS A 29 74.904 -3.276 7.515 1.00 0.00 C ATOM 448 CG LYS A 29 75.633 -4.009 8.643 1.00 0.00 C ATOM 449 CD LYS A 29 75.237 -5.487 8.632 1.00 0.00 C ATOM 450 CE LYS A 29 75.780 -6.169 9.889 1.00 0.00 C ATOM 451 NZ LYS A 29 74.869 -5.894 11.035 1.00 0.00 N ATOM 0 H LYS A 29 73.094 -1.703 8.076 1.00 0.00 H new ATOM 0 HA LYS A 29 75.884 -1.588 8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 29 73.836 -3.488 7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.258 -3.632 6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 29 76.711 -3.910 8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 29 75.381 -3.561 9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 29 74.152 -5.584 8.593 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.633 -5.974 7.741 1.00 0.00 H new ATOM 0 HE2 LYS A 29 75.863 -7.244 9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 29 76.782 -5.802 10.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 75.419 -5.867 11.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 74.398 -4.978 10.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 74.153 -6.645 11.097 1.00 0.00 H new ATOM 465 N ILE A 30 74.791 -1.030 5.360 1.00 0.00 N ATOM 466 CA ILE A 30 75.191 -0.512 4.058 1.00 0.00 C ATOM 467 C ILE A 30 75.650 0.936 4.179 1.00 0.00 C ATOM 468 O ILE A 30 76.597 1.357 3.514 1.00 0.00 O ATOM 469 CB ILE A 30 74.021 -0.602 3.079 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.980 -2.008 2.480 1.00 0.00 C ATOM 471 CG2 ILE A 30 74.205 0.422 1.956 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.558 -2.322 2.024 1.00 0.00 C ATOM 0 H ILE A 30 73.793 -1.219 5.455 1.00 0.00 H new ATOM 0 HA ILE A 30 76.020 -1.113 3.685 1.00 0.00 H new ATOM 0 HB ILE A 30 73.089 -0.394 3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.668 -2.077 1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 30 74.307 -2.740 3.219 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.368 0.354 1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 30 74.243 1.425 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 30 75.135 0.217 1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.526 -3.324 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.882 -2.270 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.249 -1.596 1.272 1.00 0.00 H new ATOM 484 N GLN A 31 74.969 1.696 5.032 1.00 0.00 N ATOM 485 CA GLN A 31 75.315 3.098 5.231 1.00 0.00 C ATOM 486 C GLN A 31 76.771 3.232 5.664 1.00 0.00 C ATOM 487 O GLN A 31 77.510 4.063 5.143 1.00 0.00 O ATOM 488 CB GLN A 31 74.404 3.713 6.295 1.00 0.00 C ATOM 489 CG GLN A 31 74.752 5.192 6.477 1.00 0.00 C ATOM 490 CD GLN A 31 75.426 5.407 7.827 1.00 0.00 C ATOM 491 OE1 GLN A 31 76.604 5.090 7.992 1.00 0.00 O ATOM 492 NE2 GLN A 31 74.745 5.929 8.811 1.00 0.00 N ATOM 0 H GLN A 31 74.182 1.368 5.591 1.00 0.00 H new ATOM 0 HA GLN A 31 75.179 3.626 4.287 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.360 3.609 5.999 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.522 3.182 7.240 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.413 5.520 5.675 1.00 0.00 H new ATOM 0 HG3 GLN A 31 73.848 5.797 6.412 1.00 0.00 H new ATOM 0 HE21 GLN A 31 73.769 6.191 8.673 1.00 0.00 H new ATOM 0 HE22 GLN A 31 75.189 6.075 9.718 1.00 0.00 H new ATOM 501 N ASP A 32 77.178 2.406 6.617 1.00 0.00 N ATOM 502 CA ASP A 32 78.550 2.443 7.106 1.00 0.00 C ATOM 503 C ASP A 32 79.527 2.065 5.995 1.00 0.00 C ATOM 504 O ASP A 32 80.729 2.304 6.106 1.00 0.00 O ATOM 505 CB ASP A 32 78.713 1.476 8.280 1.00 0.00 C ATOM 506 CG ASP A 32 80.193 1.208 8.531 1.00 0.00 C ATOM 507 OD1 ASP A 32 80.595 0.061 8.411 1.00 0.00 O ATOM 508 OD2 ASP A 32 80.903 2.152 8.838 1.00 0.00 O ATOM 0 H ASP A 32 76.584 1.707 7.064 1.00 0.00 H new ATOM 0 HA ASP A 32 78.769 3.458 7.438 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.254 1.896 9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 32 78.196 0.540 8.066 1.00 0.00 H new ATOM 513 N LYS A 33 79.005 1.460 4.931 1.00 0.00 N ATOM 514 CA LYS A 33 79.848 1.036 3.817 1.00 0.00 C ATOM 515 C LYS A 33 79.857 2.067 2.686 1.00 0.00 C ATOM 516 O LYS A 33 80.907 2.343 2.106 1.00 0.00 O ATOM 517 CB LYS A 33 79.347 -0.302 3.269 1.00 0.00 C ATOM 518 CG LYS A 33 79.662 -1.419 4.266 1.00 0.00 C ATOM 519 CD LYS A 33 80.808 -2.277 3.727 1.00 0.00 C ATOM 520 CE LYS A 33 81.172 -3.349 4.754 1.00 0.00 C ATOM 521 NZ LYS A 33 82.428 -2.959 5.457 1.00 0.00 N ATOM 0 H LYS A 33 78.013 1.254 4.817 1.00 0.00 H new ATOM 0 HA LYS A 33 80.865 0.934 4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.273 -0.253 3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.820 -0.513 2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.936 -0.993 5.231 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.778 -2.035 4.429 1.00 0.00 H new ATOM 0 HD2 LYS A 33 80.515 -2.744 2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.676 -1.652 3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 33 80.362 -3.468 5.474 1.00 0.00 H new ATOM 0 HE3 LYS A 33 81.303 -4.312 4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 82.676 -3.688 6.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 83.199 -2.867 4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 82.287 -2.050 5.941 1.00 0.00 H new ATOM 535 N GLU A 34 78.685 2.612 2.359 1.00 0.00 N ATOM 536 CA GLU A 34 78.588 3.587 1.270 1.00 0.00 C ATOM 537 C GLU A 34 78.346 5.004 1.794 1.00 0.00 C ATOM 538 O GLU A 34 78.667 5.981 1.118 1.00 0.00 O ATOM 539 CB GLU A 34 77.451 3.192 0.328 1.00 0.00 C ATOM 540 CG GLU A 34 77.805 1.882 -0.378 1.00 0.00 C ATOM 541 CD GLU A 34 78.581 2.173 -1.658 1.00 0.00 C ATOM 542 OE1 GLU A 34 79.748 1.824 -1.714 1.00 0.00 O ATOM 543 OE2 GLU A 34 77.997 2.744 -2.565 1.00 0.00 O ATOM 0 H GLU A 34 77.802 2.400 2.823 1.00 0.00 H new ATOM 0 HA GLU A 34 79.538 3.585 0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 34 76.524 3.076 0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 34 77.283 3.980 -0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 34 78.401 1.252 0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 34 76.896 1.328 -0.612 1.00 0.00 H new ATOM 550 N GLY A 35 77.779 5.115 2.989 1.00 0.00 N ATOM 551 CA GLY A 35 77.506 6.429 3.568 1.00 0.00 C ATOM 552 C GLY A 35 76.193 6.995 3.037 1.00 0.00 C ATOM 553 O GLY A 35 76.058 8.205 2.851 1.00 0.00 O ATOM 0 H GLY A 35 77.502 4.325 3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 35 77.460 6.350 4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.323 7.111 3.333 1.00 0.00 H new ATOM 557 N ILE A 36 75.232 6.111 2.789 1.00 0.00 N ATOM 558 CA ILE A 36 73.930 6.526 2.272 1.00 0.00 C ATOM 559 C ILE A 36 72.852 6.394 3.360 1.00 0.00 C ATOM 560 O ILE A 36 72.407 5.284 3.650 1.00 0.00 O ATOM 561 CB ILE A 36 73.553 5.648 1.076 1.00 0.00 C ATOM 562 CG1 ILE A 36 74.733 5.574 0.102 1.00 0.00 C ATOM 563 CG2 ILE A 36 72.348 6.260 0.361 1.00 0.00 C ATOM 564 CD1 ILE A 36 74.381 4.641 -1.058 1.00 0.00 C ATOM 0 H ILE A 36 75.328 5.106 2.936 1.00 0.00 H new ATOM 0 HA ILE A 36 73.992 7.569 1.962 1.00 0.00 H new ATOM 0 HB ILE A 36 73.306 4.645 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 36 74.969 6.569 -0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 36 75.622 5.210 0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 36 72.076 5.638 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.506 6.318 1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.601 7.261 0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 36 75.221 4.589 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 36 74.167 3.645 -0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 36 73.504 5.024 -1.580 1.00 0.00 H new ATOM 576 N PRO A 37 72.430 7.481 3.978 1.00 0.00 N ATOM 577 CA PRO A 37 71.392 7.431 5.054 1.00 0.00 C ATOM 578 C PRO A 37 70.174 6.571 4.662 1.00 0.00 C ATOM 579 O PRO A 37 69.656 6.707 3.553 1.00 0.00 O ATOM 580 CB PRO A 37 70.980 8.896 5.223 1.00 0.00 C ATOM 581 CG PRO A 37 72.175 9.685 4.809 1.00 0.00 C ATOM 582 CD PRO A 37 72.880 8.865 3.730 1.00 0.00 C ATOM 0 HA PRO A 37 71.778 6.974 5.966 1.00 0.00 H new ATOM 0 HB2 PRO A 37 70.115 9.136 4.605 1.00 0.00 H new ATOM 0 HB3 PRO A 37 70.703 9.111 6.255 1.00 0.00 H new ATOM 0 HG2 PRO A 37 71.881 10.662 4.425 1.00 0.00 H new ATOM 0 HG3 PRO A 37 72.837 9.862 5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 37 72.604 9.201 2.730 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.964 8.952 3.808 1.00 0.00 H new ATOM 590 N PRO A 38 69.699 5.701 5.535 1.00 0.00 N ATOM 591 CA PRO A 38 68.517 4.835 5.239 1.00 0.00 C ATOM 592 C PRO A 38 67.390 5.590 4.531 1.00 0.00 C ATOM 593 O PRO A 38 66.493 4.978 3.951 1.00 0.00 O ATOM 594 CB PRO A 38 68.056 4.374 6.620 1.00 0.00 C ATOM 595 CG PRO A 38 69.274 4.393 7.480 1.00 0.00 C ATOM 596 CD PRO A 38 70.226 5.437 6.890 1.00 0.00 C ATOM 0 HA PRO A 38 68.779 4.021 4.563 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.286 5.036 7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.624 3.374 6.575 1.00 0.00 H new ATOM 0 HG2 PRO A 38 69.015 4.645 8.508 1.00 0.00 H new ATOM 0 HG3 PRO A 38 69.745 3.410 7.502 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.241 6.345 7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.249 5.063 6.851 1.00 0.00 H new ATOM 604 N ASP A 39 67.430 6.915 4.603 1.00 0.00 N ATOM 605 CA ASP A 39 66.393 7.739 3.987 1.00 0.00 C ATOM 606 C ASP A 39 66.458 7.685 2.461 1.00 0.00 C ATOM 607 O ASP A 39 65.448 7.891 1.789 1.00 0.00 O ATOM 608 CB ASP A 39 66.538 9.187 4.455 1.00 0.00 C ATOM 609 CG ASP A 39 66.158 9.295 5.928 1.00 0.00 C ATOM 610 OD1 ASP A 39 66.289 8.302 6.625 1.00 0.00 O ATOM 611 OD2 ASP A 39 65.737 10.364 6.336 1.00 0.00 O ATOM 0 H ASP A 39 68.164 7.441 5.078 1.00 0.00 H new ATOM 0 HA ASP A 39 65.426 7.342 4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 39 67.564 9.525 4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 39 65.900 9.838 3.857 1.00 0.00 H new ATOM 616 N GLN A 40 67.644 7.420 1.921 1.00 0.00 N ATOM 617 CA GLN A 40 67.818 7.358 0.470 1.00 0.00 C ATOM 618 C GLN A 40 68.127 5.934 0.012 1.00 0.00 C ATOM 619 O GLN A 40 68.496 5.714 -1.142 1.00 0.00 O ATOM 620 CB GLN A 40 68.956 8.288 0.044 1.00 0.00 C ATOM 621 CG GLN A 40 68.402 9.695 -0.196 1.00 0.00 C ATOM 622 CD GLN A 40 69.545 10.703 -0.258 1.00 0.00 C ATOM 623 OE1 GLN A 40 70.714 10.319 -0.249 1.00 0.00 O ATOM 624 NE2 GLN A 40 69.273 11.978 -0.323 1.00 0.00 N ATOM 0 H GLN A 40 68.493 7.246 2.459 1.00 0.00 H new ATOM 0 HA GLN A 40 66.886 7.676 0.004 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.726 8.315 0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 40 69.427 7.911 -0.864 1.00 0.00 H new ATOM 0 HG2 GLN A 40 67.836 9.718 -1.127 1.00 0.00 H new ATOM 0 HG3 GLN A 40 67.712 9.964 0.604 1.00 0.00 H new ATOM 0 HE21 GLN A 40 68.303 12.293 -0.330 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.031 12.660 -0.367 1.00 0.00 H new ATOM 633 N GLN A 41 67.983 4.975 0.921 1.00 0.00 N ATOM 634 CA GLN A 41 68.259 3.580 0.593 1.00 0.00 C ATOM 635 C GLN A 41 66.965 2.791 0.416 1.00 0.00 C ATOM 636 O GLN A 41 66.057 2.872 1.243 1.00 0.00 O ATOM 637 CB GLN A 41 69.089 2.942 1.706 1.00 0.00 C ATOM 638 CG GLN A 41 70.338 3.786 1.950 1.00 0.00 C ATOM 639 CD GLN A 41 71.543 2.879 2.165 1.00 0.00 C ATOM 640 OE1 GLN A 41 72.029 2.258 1.220 1.00 0.00 O ATOM 641 NE2 GLN A 41 72.064 2.771 3.357 1.00 0.00 N ATOM 0 H GLN A 41 67.680 5.135 1.882 1.00 0.00 H new ATOM 0 HA GLN A 41 68.813 3.556 -0.346 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.500 2.871 2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 41 69.371 1.926 1.429 1.00 0.00 H new ATOM 0 HG2 GLN A 41 70.515 4.444 1.099 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.192 4.424 2.822 1.00 0.00 H new ATOM 0 HE21 GLN A 41 71.660 3.286 4.139 1.00 0.00 H new ATOM 0 HE22 GLN A 41 72.875 2.171 3.507 1.00 0.00 H new ATOM 650 N ARG A 42 66.896 2.019 -0.665 1.00 0.00 N ATOM 651 CA ARG A 42 65.719 1.204 -0.944 1.00 0.00 C ATOM 652 C ARG A 42 66.133 -0.219 -1.306 1.00 0.00 C ATOM 653 O ARG A 42 66.774 -0.445 -2.332 1.00 0.00 O ATOM 654 CB ARG A 42 64.915 1.811 -2.094 1.00 0.00 C ATOM 655 CG ARG A 42 63.556 2.282 -1.569 1.00 0.00 C ATOM 656 CD ARG A 42 62.727 2.845 -2.722 1.00 0.00 C ATOM 657 NE ARG A 42 61.310 2.824 -2.380 1.00 0.00 N ATOM 658 CZ ARG A 42 60.374 2.853 -3.323 1.00 0.00 C ATOM 659 NH1 ARG A 42 59.112 2.832 -2.991 1.00 0.00 N ATOM 660 NH2 ARG A 42 60.716 2.899 -4.581 1.00 0.00 N ATOM 0 H ARG A 42 67.639 1.941 -1.360 1.00 0.00 H new ATOM 0 HA ARG A 42 65.099 1.178 -0.048 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.459 2.649 -2.531 1.00 0.00 H new ATOM 0 HB3 ARG A 42 64.776 1.074 -2.885 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.028 1.451 -1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.696 3.044 -0.802 1.00 0.00 H new ATOM 0 HD2 ARG A 42 63.041 3.866 -2.941 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.900 2.258 -3.624 1.00 0.00 H new ATOM 0 HE ARG A 42 61.032 2.786 -1.399 1.00 0.00 H new ATOM 0 HH11 ARG A 42 58.844 2.793 -2.008 1.00 0.00 H new ATOM 0 HH12 ARG A 42 58.394 2.854 -3.715 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.702 2.913 -4.841 1.00 0.00 H new ATOM 0 HH22 ARG A 42 59.997 2.921 -5.304 1.00 0.00 H new ATOM 674 N LEU A 43 65.767 -1.173 -0.457 1.00 0.00 N ATOM 675 CA LEU A 43 66.114 -2.569 -0.701 1.00 0.00 C ATOM 676 C LEU A 43 64.947 -3.311 -1.343 1.00 0.00 C ATOM 677 O LEU A 43 63.859 -3.391 -0.770 1.00 0.00 O ATOM 678 CB LEU A 43 66.494 -3.249 0.617 1.00 0.00 C ATOM 679 CG LEU A 43 68.019 -3.299 0.746 1.00 0.00 C ATOM 680 CD1 LEU A 43 68.397 -3.687 2.177 1.00 0.00 C ATOM 681 CD2 LEU A 43 68.592 -4.338 -0.226 1.00 0.00 C ATOM 0 H LEU A 43 65.236 -1.009 0.398 1.00 0.00 H new ATOM 0 HA LEU A 43 66.963 -2.598 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 43 66.065 -2.703 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.083 -4.258 0.650 1.00 0.00 H new ATOM 0 HG LEU A 43 68.429 -2.317 0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 43 69.482 -3.723 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 43 67.998 -2.948 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 43 67.980 -4.667 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 43 69.677 -4.368 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 43 68.180 -5.320 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 43 68.327 -4.066 -1.248 1.00 0.00 H new ATOM 693 N ILE A 44 65.183 -3.854 -2.536 1.00 0.00 N ATOM 694 CA ILE A 44 64.150 -4.592 -3.258 1.00 0.00 C ATOM 695 C ILE A 44 64.565 -6.052 -3.431 1.00 0.00 C ATOM 696 O ILE A 44 65.741 -6.351 -3.639 1.00 0.00 O ATOM 697 CB ILE A 44 63.918 -3.956 -4.635 1.00 0.00 C ATOM 698 CG1 ILE A 44 62.929 -2.791 -4.507 1.00 0.00 C ATOM 699 CG2 ILE A 44 63.341 -4.997 -5.597 1.00 0.00 C ATOM 700 CD1 ILE A 44 63.501 -1.721 -3.574 1.00 0.00 C ATOM 0 H ILE A 44 66.078 -3.797 -3.022 1.00 0.00 H new ATOM 0 HA ILE A 44 63.226 -4.552 -2.682 1.00 0.00 H new ATOM 0 HB ILE A 44 64.870 -3.590 -5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 44 62.731 -2.361 -5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 44 61.977 -3.152 -4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 44 63.178 -4.540 -6.573 1.00 0.00 H new ATOM 0 HG22 ILE A 44 64.040 -5.827 -5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 44 62.393 -5.367 -5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.793 -0.897 -3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 44 63.676 -2.153 -2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 44 64.442 -1.350 -3.980 1.00 0.00 H new ATOM 712 N PHE A 45 63.593 -6.954 -3.348 1.00 0.00 N ATOM 713 CA PHE A 45 63.869 -8.379 -3.499 1.00 0.00 C ATOM 714 C PHE A 45 62.688 -9.083 -4.158 1.00 0.00 C ATOM 715 O PHE A 45 61.535 -8.860 -3.791 1.00 0.00 O ATOM 716 CB PHE A 45 64.144 -9.008 -2.131 1.00 0.00 C ATOM 717 CG PHE A 45 64.390 -10.489 -2.293 1.00 0.00 C ATOM 718 CD1 PHE A 45 63.375 -11.405 -1.988 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.632 -10.947 -2.746 1.00 0.00 C ATOM 720 CE1 PHE A 45 63.602 -12.777 -2.136 1.00 0.00 C ATOM 721 CE2 PHE A 45 65.861 -12.320 -2.893 1.00 0.00 C ATOM 722 CZ PHE A 45 64.845 -13.236 -2.589 1.00 0.00 C ATOM 0 H PHE A 45 62.613 -6.727 -3.178 1.00 0.00 H new ATOM 0 HA PHE A 45 64.748 -8.495 -4.133 1.00 0.00 H new ATOM 0 HB2 PHE A 45 65.010 -8.534 -1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.297 -8.841 -1.466 1.00 0.00 H new ATOM 0 HD1 PHE A 45 62.416 -11.051 -1.638 1.00 0.00 H new ATOM 0 HD2 PHE A 45 66.414 -10.241 -2.982 1.00 0.00 H new ATOM 0 HE1 PHE A 45 62.819 -13.482 -1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 45 66.821 -12.673 -3.241 1.00 0.00 H new ATOM 0 HZ PHE A 45 65.021 -14.295 -2.704 1.00 0.00 H new ATOM 732 N ALA A 46 62.984 -9.935 -5.136 1.00 0.00 N ATOM 733 CA ALA A 46 61.937 -10.666 -5.841 1.00 0.00 C ATOM 734 C ALA A 46 60.912 -9.700 -6.428 1.00 0.00 C ATOM 735 O ALA A 46 59.736 -10.040 -6.570 1.00 0.00 O ATOM 736 CB ALA A 46 61.242 -11.636 -4.885 1.00 0.00 C ATOM 0 H ALA A 46 63.932 -10.135 -5.456 1.00 0.00 H new ATOM 0 HA ALA A 46 62.396 -11.228 -6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.462 -12.178 -5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.971 -12.344 -4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.797 -11.078 -4.061 1.00 0.00 H new ATOM 742 N GLY A 47 61.363 -8.498 -6.765 1.00 0.00 N ATOM 743 CA GLY A 47 60.474 -7.492 -7.335 1.00 0.00 C ATOM 744 C GLY A 47 59.580 -6.883 -6.261 1.00 0.00 C ATOM 745 O GLY A 47 58.764 -6.004 -6.542 1.00 0.00 O ATOM 0 H GLY A 47 62.331 -8.197 -6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 47 61.063 -6.708 -7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 47 59.858 -7.944 -8.113 1.00 0.00 H new ATOM 749 N LYS A 48 59.737 -7.357 -5.029 1.00 0.00 N ATOM 750 CA LYS A 48 58.936 -6.853 -3.919 1.00 0.00 C ATOM 751 C LYS A 48 59.750 -5.885 -3.067 1.00 0.00 C ATOM 752 O LYS A 48 60.930 -6.116 -2.801 1.00 0.00 O ATOM 753 CB LYS A 48 58.455 -8.018 -3.052 1.00 0.00 C ATOM 754 CG LYS A 48 57.853 -9.106 -3.945 1.00 0.00 C ATOM 755 CD LYS A 48 56.742 -9.833 -3.186 1.00 0.00 C ATOM 756 CE LYS A 48 56.181 -10.960 -4.056 1.00 0.00 C ATOM 757 NZ LYS A 48 55.278 -10.383 -5.092 1.00 0.00 N ATOM 0 H LYS A 48 60.406 -8.084 -4.775 1.00 0.00 H new ATOM 0 HA LYS A 48 58.075 -6.324 -4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 48 59.287 -8.424 -2.477 1.00 0.00 H new ATOM 0 HB3 LYS A 48 57.712 -7.669 -2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 48 57.455 -8.663 -4.858 1.00 0.00 H new ATOM 0 HG3 LYS A 48 58.626 -9.814 -4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 48 57.131 -10.239 -2.252 1.00 0.00 H new ATOM 0 HD3 LYS A 48 55.949 -9.133 -2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 48 56.995 -11.507 -4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 48 55.635 -11.674 -3.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 54.528 -11.067 -5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 54.849 -9.507 -4.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 55.825 -10.171 -5.951 1.00 0.00 H new ATOM 771 N GLN A 49 59.112 -4.798 -2.640 1.00 0.00 N ATOM 772 CA GLN A 49 59.787 -3.801 -1.817 1.00 0.00 C ATOM 773 C GLN A 49 59.737 -4.200 -0.346 1.00 0.00 C ATOM 774 O GLN A 49 58.702 -4.644 0.152 1.00 0.00 O ATOM 775 CB GLN A 49 59.120 -2.437 -2.001 1.00 0.00 C ATOM 776 CG GLN A 49 60.049 -1.339 -1.479 1.00 0.00 C ATOM 777 CD GLN A 49 59.230 -0.187 -0.911 1.00 0.00 C ATOM 778 OE1 GLN A 49 58.485 0.466 -1.641 1.00 0.00 O ATOM 779 NE2 GLN A 49 59.324 0.106 0.358 1.00 0.00 N ATOM 0 H GLN A 49 58.136 -4.587 -2.849 1.00 0.00 H new ATOM 0 HA GLN A 49 60.829 -3.741 -2.130 1.00 0.00 H new ATOM 0 HB2 GLN A 49 58.897 -2.269 -3.055 1.00 0.00 H new ATOM 0 HB3 GLN A 49 58.171 -2.410 -1.466 1.00 0.00 H new ATOM 0 HG2 GLN A 49 60.706 -1.743 -0.709 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.688 -0.979 -2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 49 59.942 -0.436 0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 49 58.780 0.877 0.745 1.00 0.00 H new ATOM 788 N LEU A 50 60.862 -4.040 0.343 1.00 0.00 N ATOM 789 CA LEU A 50 60.933 -4.391 1.759 1.00 0.00 C ATOM 790 C LEU A 50 60.663 -3.166 2.631 1.00 0.00 C ATOM 791 O LEU A 50 61.306 -2.129 2.477 1.00 0.00 O ATOM 792 CB LEU A 50 62.317 -4.956 2.089 1.00 0.00 C ATOM 793 CG LEU A 50 62.748 -5.931 0.992 1.00 0.00 C ATOM 794 CD1 LEU A 50 64.025 -6.655 1.427 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.638 -6.958 0.756 1.00 0.00 C ATOM 0 H LEU A 50 61.729 -3.674 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 50 60.173 -5.145 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 50 63.041 -4.146 2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 50 62.293 -5.465 3.053 1.00 0.00 H new ATOM 0 HG LEU A 50 62.936 -5.380 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.333 -7.350 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 50 64.817 -5.926 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 50 63.835 -7.205 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 50 61.945 -7.653 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.450 -7.509 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.727 -6.445 0.448 1.00 0.00 H new ATOM 807 N GLU A 51 59.710 -3.298 3.548 1.00 0.00 N ATOM 808 CA GLU A 51 59.365 -2.198 4.442 1.00 0.00 C ATOM 809 C GLU A 51 60.186 -2.279 5.722 1.00 0.00 C ATOM 810 O GLU A 51 60.634 -3.357 6.117 1.00 0.00 O ATOM 811 CB GLU A 51 57.874 -2.246 4.786 1.00 0.00 C ATOM 812 CG GLU A 51 57.140 -1.120 4.050 1.00 0.00 C ATOM 813 CD GLU A 51 57.557 0.234 4.614 1.00 0.00 C ATOM 814 OE1 GLU A 51 58.119 0.257 5.695 1.00 0.00 O ATOM 815 OE2 GLU A 51 57.316 1.229 3.950 1.00 0.00 O ATOM 0 H GLU A 51 59.166 -4.149 3.691 1.00 0.00 H new ATOM 0 HA GLU A 51 59.587 -1.259 3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.456 -3.212 4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.735 -2.142 5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 51 57.366 -1.164 2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 51 56.063 -1.249 4.153 1.00 0.00 H new ATOM 822 N ASP A 52 60.385 -1.134 6.363 1.00 0.00 N ATOM 823 CA ASP A 52 61.159 -1.087 7.594 1.00 0.00 C ATOM 824 C ASP A 52 60.355 -1.671 8.755 1.00 0.00 C ATOM 825 O ASP A 52 59.319 -1.129 9.139 1.00 0.00 O ATOM 826 CB ASP A 52 61.547 0.356 7.911 1.00 0.00 C ATOM 827 CG ASP A 52 60.896 1.307 6.915 1.00 0.00 C ATOM 828 OD1 ASP A 52 61.417 1.435 5.819 1.00 0.00 O ATOM 829 OD2 ASP A 52 59.882 1.892 7.260 1.00 0.00 O ATOM 0 H ASP A 52 60.023 -0.232 6.053 1.00 0.00 H new ATOM 0 HA ASP A 52 62.062 -1.682 7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.235 0.610 8.924 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.631 0.465 7.874 1.00 0.00 H new ATOM 834 N GLY A 53 60.843 -2.777 9.314 1.00 0.00 N ATOM 835 CA GLY A 53 60.160 -3.419 10.432 1.00 0.00 C ATOM 836 C GLY A 53 60.224 -4.941 10.320 1.00 0.00 C ATOM 837 O GLY A 53 60.338 -5.641 11.328 1.00 0.00 O ATOM 0 H GLY A 53 61.700 -3.242 9.014 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.615 -3.102 11.370 1.00 0.00 H new ATOM 0 HA3 GLY A 53 59.119 -3.097 10.458 1.00 0.00 H new ATOM 841 N ARG A 54 60.154 -5.445 9.094 1.00 0.00 N ATOM 842 CA ARG A 54 60.209 -6.886 8.865 1.00 0.00 C ATOM 843 C ARG A 54 61.658 -7.356 8.868 1.00 0.00 C ATOM 844 O ARG A 54 62.557 -6.593 8.525 1.00 0.00 O ATOM 845 CB ARG A 54 59.569 -7.229 7.520 1.00 0.00 C ATOM 846 CG ARG A 54 58.453 -6.229 7.207 1.00 0.00 C ATOM 847 CD ARG A 54 57.465 -6.186 8.372 1.00 0.00 C ATOM 848 NE ARG A 54 56.120 -5.906 7.881 1.00 0.00 N ATOM 849 CZ ARG A 54 55.412 -6.837 7.249 1.00 0.00 C ATOM 850 NH1 ARG A 54 54.216 -6.557 6.806 1.00 0.00 N ATOM 851 NH2 ARG A 54 55.911 -8.029 7.070 1.00 0.00 N ATOM 0 H ARG A 54 60.060 -4.883 8.248 1.00 0.00 H new ATOM 0 HA ARG A 54 59.662 -7.388 9.663 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.322 -7.206 6.732 1.00 0.00 H new ATOM 0 HB3 ARG A 54 59.166 -8.241 7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 54 58.875 -5.238 7.038 1.00 0.00 H new ATOM 0 HG3 ARG A 54 57.938 -6.517 6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.476 -7.138 8.903 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.766 -5.420 9.086 1.00 0.00 H new ATOM 0 HE ARG A 54 55.716 -4.981 8.025 1.00 0.00 H new ATOM 0 HH11 ARG A 54 53.826 -5.625 6.945 1.00 0.00 H new ATOM 0 HH12 ARG A 54 53.672 -7.270 6.321 1.00 0.00 H new ATOM 0 HH21 ARG A 54 56.846 -8.248 7.415 1.00 0.00 H new ATOM 0 HH22 ARG A 54 55.367 -8.742 6.585 1.00 0.00 H new ATOM 865 N THR A 55 61.883 -8.608 9.262 1.00 0.00 N ATOM 866 CA THR A 55 63.241 -9.139 9.303 1.00 0.00 C ATOM 867 C THR A 55 63.538 -10.031 8.117 1.00 0.00 C ATOM 868 O THR A 55 62.638 -10.430 7.379 1.00 0.00 O ATOM 869 CB THR A 55 63.484 -9.894 10.604 1.00 0.00 C ATOM 870 OG1 THR A 55 62.702 -11.080 10.628 1.00 0.00 O ATOM 871 CG2 THR A 55 63.100 -8.991 11.766 1.00 0.00 C ATOM 0 H THR A 55 61.156 -9.262 9.552 1.00 0.00 H new ATOM 0 HA THR A 55 63.920 -8.288 9.253 1.00 0.00 H new ATOM 0 HB THR A 55 64.535 -10.172 10.684 1.00 0.00 H new ATOM 0 HG1 THR A 55 62.864 -11.561 11.466 1.00 0.00 H new ATOM 0 HG21 THR A 55 63.268 -9.517 12.706 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.709 -8.088 11.741 1.00 0.00 H new ATOM 0 HG23 THR A 55 62.047 -8.721 11.684 1.00 0.00 H new ATOM 879 N LEU A 56 64.820 -10.330 7.934 1.00 0.00 N ATOM 880 CA LEU A 56 65.236 -11.169 6.826 1.00 0.00 C ATOM 881 C LEU A 56 64.502 -12.503 6.892 1.00 0.00 C ATOM 882 O LEU A 56 64.150 -13.083 5.865 1.00 0.00 O ATOM 883 CB LEU A 56 66.749 -11.431 6.889 1.00 0.00 C ATOM 884 CG LEU A 56 67.547 -10.164 6.541 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.041 -10.472 6.636 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.232 -9.718 5.112 1.00 0.00 C ATOM 0 H LEU A 56 65.579 -10.006 8.534 1.00 0.00 H new ATOM 0 HA LEU A 56 64.999 -10.655 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 56 67.020 -11.772 7.888 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.011 -12.231 6.197 1.00 0.00 H new ATOM 0 HG LEU A 56 67.274 -9.371 7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.613 -9.577 6.390 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.283 -10.791 7.650 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.294 -11.268 5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.803 -8.820 4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.501 -10.512 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.167 -9.504 5.024 1.00 0.00 H new ATOM 898 N SER A 57 64.276 -12.982 8.114 1.00 0.00 N ATOM 899 CA SER A 57 63.584 -14.252 8.309 1.00 0.00 C ATOM 900 C SER A 57 62.110 -14.127 7.934 1.00 0.00 C ATOM 901 O SER A 57 61.525 -15.048 7.362 1.00 0.00 O ATOM 902 CB SER A 57 63.707 -14.694 9.767 1.00 0.00 C ATOM 903 OG SER A 57 62.406 -14.870 10.315 1.00 0.00 O ATOM 0 H SER A 57 64.559 -12.515 8.975 1.00 0.00 H new ATOM 0 HA SER A 57 64.047 -14.998 7.663 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.270 -15.625 9.831 1.00 0.00 H new ATOM 0 HB3 SER A 57 64.258 -13.948 10.340 1.00 0.00 H new ATOM 0 HG SER A 57 62.481 -15.155 11.250 1.00 0.00 H new ATOM 909 N ASP A 58 61.513 -12.987 8.265 1.00 0.00 N ATOM 910 CA ASP A 58 60.105 -12.755 7.961 1.00 0.00 C ATOM 911 C ASP A 58 59.866 -12.772 6.455 1.00 0.00 C ATOM 912 O ASP A 58 58.836 -13.256 5.987 1.00 0.00 O ATOM 913 CB ASP A 58 59.663 -11.408 8.532 1.00 0.00 C ATOM 914 CG ASP A 58 59.901 -11.380 10.037 1.00 0.00 C ATOM 915 OD1 ASP A 58 60.126 -10.303 10.563 1.00 0.00 O ATOM 916 OD2 ASP A 58 59.857 -12.438 10.643 1.00 0.00 O ATOM 0 H ASP A 58 61.978 -12.214 8.741 1.00 0.00 H new ATOM 0 HA ASP A 58 59.521 -13.555 8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.216 -10.601 8.052 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.607 -11.241 8.319 1.00 0.00 H new ATOM 921 N TYR A 59 60.825 -12.247 5.701 1.00 0.00 N ATOM 922 CA TYR A 59 60.702 -12.212 4.249 1.00 0.00 C ATOM 923 C TYR A 59 61.205 -13.522 3.653 1.00 0.00 C ATOM 924 O TYR A 59 61.176 -13.716 2.437 1.00 0.00 O ATOM 925 CB TYR A 59 61.510 -11.043 3.678 1.00 0.00 C ATOM 926 CG TYR A 59 60.595 -9.861 3.442 1.00 0.00 C ATOM 927 CD1 TYR A 59 60.777 -8.677 4.167 1.00 0.00 C ATOM 928 CD2 TYR A 59 59.566 -9.953 2.498 1.00 0.00 C ATOM 929 CE1 TYR A 59 59.930 -7.585 3.946 1.00 0.00 C ATOM 930 CE2 TYR A 59 58.719 -8.861 2.277 1.00 0.00 C ATOM 931 CZ TYR A 59 58.900 -7.677 3.002 1.00 0.00 C ATOM 932 OH TYR A 59 58.065 -6.599 2.783 1.00 0.00 O ATOM 0 H TYR A 59 61.688 -11.844 6.066 1.00 0.00 H new ATOM 0 HA TYR A 59 59.652 -12.078 3.990 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.307 -10.767 4.369 1.00 0.00 H new ATOM 0 HB3 TYR A 59 61.987 -11.339 2.744 1.00 0.00 H new ATOM 0 HD1 TYR A 59 61.570 -8.606 4.896 1.00 0.00 H new ATOM 0 HD2 TYR A 59 59.425 -10.867 1.940 1.00 0.00 H new ATOM 0 HE1 TYR A 59 60.071 -6.671 4.504 1.00 0.00 H new ATOM 0 HE2 TYR A 59 57.926 -8.932 1.547 1.00 0.00 H new ATOM 0 HH TYR A 59 57.406 -6.830 2.096 1.00 0.00 H new ATOM 942 N ASN A 60 61.659 -14.417 4.521 1.00 0.00 N ATOM 943 CA ASN A 60 62.163 -15.710 4.082 1.00 0.00 C ATOM 944 C ASN A 60 63.435 -15.542 3.255 1.00 0.00 C ATOM 945 O ASN A 60 63.778 -16.408 2.450 1.00 0.00 O ATOM 946 CB ASN A 60 61.100 -16.429 3.249 1.00 0.00 C ATOM 947 CG ASN A 60 59.708 -16.015 3.715 1.00 0.00 C ATOM 948 OD1 ASN A 60 58.807 -15.836 2.896 1.00 0.00 O ATOM 949 ND2 ASN A 60 59.478 -15.852 4.988 1.00 0.00 N ATOM 0 H ASN A 60 61.688 -14.271 5.530 1.00 0.00 H new ATOM 0 HA ASN A 60 62.397 -16.305 4.965 1.00 0.00 H new ATOM 0 HB2 ASN A 60 61.227 -16.187 2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.219 -17.508 3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 60 58.550 -15.576 5.307 1.00 0.00 H new ATOM 0 HD22 ASN A 60 60.227 -16.001 5.665 1.00 0.00 H new ATOM 956 N ILE A 61 64.129 -14.426 3.456 1.00 0.00 N ATOM 957 CA ILE A 61 65.360 -14.166 2.719 1.00 0.00 C ATOM 958 C ILE A 61 66.440 -15.163 3.125 1.00 0.00 C ATOM 959 O ILE A 61 66.505 -15.586 4.279 1.00 0.00 O ATOM 960 CB ILE A 61 65.834 -12.733 2.974 1.00 0.00 C ATOM 961 CG1 ILE A 61 65.058 -11.796 2.039 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.334 -12.625 2.677 1.00 0.00 C ATOM 963 CD1 ILE A 61 65.105 -10.357 2.557 1.00 0.00 C ATOM 0 H ILE A 61 63.864 -13.695 4.116 1.00 0.00 H new ATOM 0 HA ILE A 61 65.163 -14.284 1.654 1.00 0.00 H new ATOM 0 HB ILE A 61 65.659 -12.459 4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.483 -11.841 1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.022 -12.127 1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 61 67.668 -11.604 2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.883 -13.308 3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.518 -12.886 1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.549 -9.708 1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.658 -10.313 3.550 1.00 0.00 H new ATOM 0 HD13 ILE A 61 66.141 -10.023 2.610 1.00 0.00 H new ATOM 975 N GLN A 62 67.276 -15.544 2.166 1.00 0.00 N ATOM 976 CA GLN A 62 68.340 -16.503 2.436 1.00 0.00 C ATOM 977 C GLN A 62 69.616 -15.786 2.861 1.00 0.00 C ATOM 978 O GLN A 62 69.755 -14.577 2.677 1.00 0.00 O ATOM 979 CB GLN A 62 68.616 -17.343 1.189 1.00 0.00 C ATOM 980 CG GLN A 62 67.297 -17.879 0.630 1.00 0.00 C ATOM 981 CD GLN A 62 67.518 -19.248 -0.004 1.00 0.00 C ATOM 982 OE1 GLN A 62 67.943 -20.185 0.674 1.00 0.00 O ATOM 983 NE2 GLN A 62 67.260 -19.420 -1.272 1.00 0.00 N ATOM 0 H GLN A 62 67.239 -15.207 1.204 1.00 0.00 H new ATOM 0 HA GLN A 62 68.016 -17.154 3.248 1.00 0.00 H new ATOM 0 HB2 GLN A 62 69.123 -16.739 0.436 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.281 -18.170 1.435 1.00 0.00 H new ATOM 0 HG2 GLN A 62 66.558 -17.953 1.428 1.00 0.00 H new ATOM 0 HG3 GLN A 62 66.898 -17.186 -0.111 1.00 0.00 H new ATOM 0 HE21 GLN A 62 66.908 -18.643 -1.831 1.00 0.00 H new ATOM 0 HE22 GLN A 62 67.410 -20.332 -1.704 1.00 0.00 H new ATOM 992 N LYS A 63 70.538 -16.544 3.439 1.00 0.00 N ATOM 993 CA LYS A 63 71.802 -15.982 3.900 1.00 0.00 C ATOM 994 C LYS A 63 72.771 -15.795 2.749 1.00 0.00 C ATOM 995 O LYS A 63 73.850 -15.257 2.937 1.00 0.00 O ATOM 996 CB LYS A 63 72.431 -16.902 4.942 1.00 0.00 C ATOM 997 CG LYS A 63 72.681 -18.283 4.327 1.00 0.00 C ATOM 998 CD LYS A 63 72.421 -19.366 5.377 1.00 0.00 C ATOM 999 CE LYS A 63 70.917 -19.635 5.474 1.00 0.00 C ATOM 1000 NZ LYS A 63 70.553 -19.911 6.892 1.00 0.00 N ATOM 0 H LYS A 63 70.436 -17.546 3.600 1.00 0.00 H new ATOM 0 HA LYS A 63 71.594 -15.008 4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 63 73.369 -16.476 5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 63 71.773 -16.992 5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 63 72.029 -18.433 3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 63 73.707 -18.351 3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 63 72.948 -20.282 5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 63 72.807 -19.048 6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 63 70.358 -18.775 5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 63 70.647 -20.484 4.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 69.531 -20.094 6.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 71.077 -20.744 7.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 70.797 -19.088 7.479 1.00 0.00 H new ATOM 1014 N GLU A 64 72.375 -16.242 1.567 1.00 0.00 N ATOM 1015 CA GLU A 64 73.203 -16.120 0.380 1.00 0.00 C ATOM 1016 C GLU A 64 72.429 -15.433 -0.746 1.00 0.00 C ATOM 1017 O GLU A 64 72.974 -15.171 -1.817 1.00 0.00 O ATOM 1018 CB GLU A 64 73.668 -17.502 -0.076 1.00 0.00 C ATOM 1019 CG GLU A 64 75.099 -17.740 0.412 1.00 0.00 C ATOM 1020 CD GLU A 64 75.558 -19.144 0.036 1.00 0.00 C ATOM 1021 OE1 GLU A 64 75.860 -19.907 0.937 1.00 0.00 O ATOM 1022 OE2 GLU A 64 75.613 -19.430 -1.150 1.00 0.00 O ATOM 0 H GLU A 64 71.476 -16.697 1.405 1.00 0.00 H new ATOM 0 HA GLU A 64 74.074 -15.512 0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 64 73.004 -18.271 0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.626 -17.572 -1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.768 -17.001 -0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 64 75.148 -17.611 1.493 1.00 0.00 H new ATOM 1029 N SER A 65 71.149 -15.171 -0.501 1.00 0.00 N ATOM 1030 CA SER A 65 70.289 -14.542 -1.502 1.00 0.00 C ATOM 1031 C SER A 65 70.867 -13.219 -1.997 1.00 0.00 C ATOM 1032 O SER A 65 71.652 -12.569 -1.308 1.00 0.00 O ATOM 1033 CB SER A 65 68.903 -14.293 -0.910 1.00 0.00 C ATOM 1034 OG SER A 65 68.062 -15.402 -1.198 1.00 0.00 O ATOM 0 H SER A 65 70.683 -15.384 0.381 1.00 0.00 H new ATOM 0 HA SER A 65 70.221 -15.222 -2.351 1.00 0.00 H new ATOM 0 HB2 SER A 65 68.976 -14.148 0.168 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.476 -13.381 -1.326 1.00 0.00 H new ATOM 0 HG SER A 65 67.137 -15.181 -0.961 1.00 0.00 H new ATOM 1040 N THR A 66 70.453 -12.828 -3.201 1.00 0.00 N ATOM 1041 CA THR A 66 70.905 -11.578 -3.803 1.00 0.00 C ATOM 1042 C THR A 66 69.841 -10.502 -3.606 1.00 0.00 C ATOM 1043 O THR A 66 68.659 -10.736 -3.864 1.00 0.00 O ATOM 1044 CB THR A 66 71.157 -11.783 -5.299 1.00 0.00 C ATOM 1045 OG1 THR A 66 71.956 -12.942 -5.487 1.00 0.00 O ATOM 1046 CG2 THR A 66 71.879 -10.564 -5.874 1.00 0.00 C ATOM 0 H THR A 66 69.804 -13.361 -3.779 1.00 0.00 H new ATOM 0 HA THR A 66 71.832 -11.264 -3.324 1.00 0.00 H new ATOM 0 HB THR A 66 70.204 -11.909 -5.813 1.00 0.00 H new ATOM 0 HG1 THR A 66 72.117 -13.076 -6.444 1.00 0.00 H new ATOM 0 HG21 THR A 66 72.056 -10.715 -6.939 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.264 -9.676 -5.731 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.833 -10.431 -5.363 1.00 0.00 H new ATOM 1054 N LEU A 67 70.262 -9.329 -3.140 1.00 0.00 N ATOM 1055 CA LEU A 67 69.332 -8.230 -2.902 1.00 0.00 C ATOM 1056 C LEU A 67 69.565 -7.092 -3.889 1.00 0.00 C ATOM 1057 O LEU A 67 70.703 -6.766 -4.219 1.00 0.00 O ATOM 1058 CB LEU A 67 69.506 -7.702 -1.475 1.00 0.00 C ATOM 1059 CG LEU A 67 68.913 -8.701 -0.478 1.00 0.00 C ATOM 1060 CD1 LEU A 67 69.901 -8.928 0.666 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.604 -8.143 0.084 1.00 0.00 C ATOM 0 H LEU A 67 71.235 -9.116 -2.921 1.00 0.00 H new ATOM 0 HA LEU A 67 68.319 -8.609 -3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.563 -7.545 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 67 69.013 -6.735 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 67 68.719 -9.647 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 67 69.479 -9.639 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 67 70.835 -9.324 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 67 70.095 -7.982 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 67 67.181 -8.853 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 67 67.799 -7.197 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.898 -7.980 -0.731 1.00 0.00 H new ATOM 1073 N HIS A 68 68.473 -6.486 -4.346 1.00 0.00 N ATOM 1074 CA HIS A 68 68.566 -5.376 -5.286 1.00 0.00 C ATOM 1075 C HIS A 68 68.492 -4.052 -4.532 1.00 0.00 C ATOM 1076 O HIS A 68 67.483 -3.746 -3.898 1.00 0.00 O ATOM 1077 CB HIS A 68 67.428 -5.454 -6.305 1.00 0.00 C ATOM 1078 CG HIS A 68 67.513 -6.756 -7.052 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.559 -7.979 -6.402 1.00 0.00 N ATOM 1080 CD2 HIS A 68 67.561 -7.043 -8.394 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.631 -8.937 -7.344 1.00 0.00 C ATOM 1082 NE2 HIS A 68 67.636 -8.420 -8.576 1.00 0.00 N ATOM 0 H HIS A 68 67.522 -6.743 -4.083 1.00 0.00 H new ATOM 0 HA HIS A 68 69.519 -5.438 -5.812 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.466 -5.375 -5.799 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.491 -4.618 -7.002 1.00 0.00 H new ATOM 0 HD2 HIS A 68 67.543 -6.311 -9.188 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.679 -9.995 -7.130 1.00 0.00 H new ATOM 0 HE2 HIS A 68 67.684 -8.926 -9.460 1.00 0.00 H new ATOM 1090 N LEU A 69 69.569 -3.278 -4.595 1.00 0.00 N ATOM 1091 CA LEU A 69 69.614 -1.997 -3.903 1.00 0.00 C ATOM 1092 C LEU A 69 69.286 -0.854 -4.856 1.00 0.00 C ATOM 1093 O LEU A 69 69.966 -0.658 -5.863 1.00 0.00 O ATOM 1094 CB LEU A 69 71.004 -1.781 -3.301 1.00 0.00 C ATOM 1095 CG LEU A 69 70.995 -0.541 -2.405 1.00 0.00 C ATOM 1096 CD1 LEU A 69 71.198 -0.963 -0.948 1.00 0.00 C ATOM 1097 CD2 LEU A 69 72.128 0.398 -2.823 1.00 0.00 C ATOM 0 H LEU A 69 70.416 -3.513 -5.113 1.00 0.00 H new ATOM 0 HA LEU A 69 68.869 -2.010 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.300 -2.656 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 69 71.740 -1.661 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 69 70.039 -0.027 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 69 71.192 -0.080 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.393 -1.634 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 69 72.154 -1.476 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 69 72.122 1.282 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 69 73.083 -0.117 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 69 71.987 0.699 -3.861 1.00 0.00 H new ATOM 1109 N VAL A 70 68.241 -0.099 -4.522 1.00 0.00 N ATOM 1110 CA VAL A 70 67.823 1.032 -5.343 1.00 0.00 C ATOM 1111 C VAL A 70 67.957 2.330 -4.556 1.00 0.00 C ATOM 1112 O VAL A 70 67.750 2.354 -3.342 1.00 0.00 O ATOM 1113 CB VAL A 70 66.372 0.848 -5.787 1.00 0.00 C ATOM 1114 CG1 VAL A 70 66.110 1.682 -7.042 1.00 0.00 C ATOM 1115 CG2 VAL A 70 66.117 -0.629 -6.093 1.00 0.00 C ATOM 0 H VAL A 70 67.670 -0.251 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 70 68.464 1.081 -6.223 1.00 0.00 H new ATOM 0 HB VAL A 70 65.705 1.175 -4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 70 65.075 1.550 -7.357 1.00 0.00 H new ATOM 0 HG12 VAL A 70 66.291 2.734 -6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 70 66.777 1.357 -7.841 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.083 -0.762 -6.410 1.00 0.00 H new ATOM 0 HG22 VAL A 70 66.785 -0.956 -6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.301 -1.223 -5.198 1.00 0.00 H new ATOM 1125 N LEU A 71 68.315 3.408 -5.247 1.00 0.00 N ATOM 1126 CA LEU A 71 68.483 4.700 -4.592 1.00 0.00 C ATOM 1127 C LEU A 71 67.263 5.590 -4.814 1.00 0.00 C ATOM 1128 O LEU A 71 66.816 5.779 -5.945 1.00 0.00 O ATOM 1129 CB LEU A 71 69.733 5.402 -5.133 1.00 0.00 C ATOM 1130 CG LEU A 71 70.955 5.024 -4.287 1.00 0.00 C ATOM 1131 CD1 LEU A 71 72.221 5.561 -4.956 1.00 0.00 C ATOM 1132 CD2 LEU A 71 70.835 5.628 -2.880 1.00 0.00 C ATOM 0 H LEU A 71 68.493 3.413 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 71 68.594 4.525 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 71 69.898 5.118 -6.172 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.589 6.482 -5.117 1.00 0.00 H new ATOM 0 HG LEU A 71 71.007 3.938 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 71 73.091 5.293 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 71 72.319 5.127 -5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 71 72.157 6.646 -5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 71 71.709 5.352 -2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 71 70.775 6.714 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.935 5.247 -2.396 1.00 0.00 H new