USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 716 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 47 ASN : amide:sc= -5.04! K(o=-9.2!,f=-2.3) USER MOD Set 1.2: A 55 ASN : amide:sc= -4.12! K(o=-9.2!,f=-2.3) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00153) USER MOD Set 2.2: A 19 MET CE :methyl -177:sc= 0 (180deg=-0.00733) USER MOD Single : A 1 GLY N :NH3+ 145:sc= 0.0137 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 34:sc= 0.0615 USER MOD Single : A 5 SER OG : rot 100:sc= -0.0197 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 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 157:sc= -5.38! USER MOD Single : A 38 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-0.28) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.42) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -78:sc= -1.22 USER MOD Single : A 61 GLN : amide:sc= -0.342 K(o=-0.34,f=-3.2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0542 USER MOD Single : A 73 MET CE :methyl 158:sc= 0 (180deg=-0.316) USER MOD Single : A 75 SER OG : rot -88:sc= 1.07 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.396 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.883 K(o=-0.88,f=-6.2!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.463 -18.121 -18.851 1.00 0.00 N ATOM 2 CA GLY A 1 -2.160 -18.202 -18.212 1.00 0.00 C ATOM 3 C GLY A 1 -1.425 -16.863 -18.293 1.00 0.00 C ATOM 4 O GLY A 1 -1.472 -16.187 -19.320 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.681 -19.028 -19.311 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.188 -17.913 -18.135 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.453 -17.364 -19.564 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.280 -18.492 -17.168 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.563 -18.978 -18.692 1.00 0.00 H new ATOM 8 N SER A 2 -0.763 -16.521 -17.198 1.00 0.00 N ATOM 9 CA SER A 2 -0.018 -15.275 -17.133 1.00 0.00 C ATOM 10 C SER A 2 -0.849 -14.137 -17.730 1.00 0.00 C ATOM 11 O SER A 2 -0.716 -13.819 -18.910 1.00 0.00 O ATOM 12 CB SER A 2 1.321 -15.394 -17.863 1.00 0.00 C ATOM 13 OG SER A 2 2.403 -14.899 -17.080 1.00 0.00 O ATOM 0 H SER A 2 -0.727 -17.085 -16.349 1.00 0.00 H new ATOM 0 HA SER A 2 0.189 -15.055 -16.086 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.504 -16.438 -18.115 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.272 -14.843 -18.802 1.00 0.00 H new ATOM 0 HG SER A 2 3.240 -14.995 -17.581 1.00 0.00 H new ATOM 19 N SER A 3 -1.688 -13.554 -16.886 1.00 0.00 N ATOM 20 CA SER A 3 -2.540 -12.458 -17.315 1.00 0.00 C ATOM 21 C SER A 3 -2.851 -11.542 -16.130 1.00 0.00 C ATOM 22 O SER A 3 -2.556 -10.348 -16.169 1.00 0.00 O ATOM 23 CB SER A 3 -3.837 -12.980 -17.937 1.00 0.00 C ATOM 24 OG SER A 3 -3.739 -13.100 -19.353 1.00 0.00 O ATOM 0 H SER A 3 -1.796 -13.820 -15.907 1.00 0.00 H new ATOM 0 HA SER A 3 -2.007 -11.888 -18.076 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.080 -13.952 -17.507 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.656 -12.306 -17.686 1.00 0.00 H new ATOM 0 HG SER A 3 -2.826 -13.358 -19.597 1.00 0.00 H new ATOM 30 N GLY A 4 -3.443 -12.135 -15.104 1.00 0.00 N ATOM 31 CA GLY A 4 -3.797 -11.387 -13.909 1.00 0.00 C ATOM 32 C GLY A 4 -4.727 -12.201 -13.008 1.00 0.00 C ATOM 33 O GLY A 4 -4.471 -13.375 -12.745 1.00 0.00 O ATOM 0 H GLY A 4 -3.687 -13.125 -15.075 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.893 -11.122 -13.360 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.284 -10.453 -14.191 1.00 0.00 H new ATOM 37 N SER A 5 -5.787 -11.546 -12.559 1.00 0.00 N ATOM 38 CA SER A 5 -6.757 -12.194 -11.692 1.00 0.00 C ATOM 39 C SER A 5 -8.167 -12.016 -12.259 1.00 0.00 C ATOM 40 O SER A 5 -8.845 -11.038 -11.948 1.00 0.00 O ATOM 41 CB SER A 5 -6.682 -11.638 -10.269 1.00 0.00 C ATOM 42 OG SER A 5 -6.697 -12.673 -9.290 1.00 0.00 O ATOM 0 H SER A 5 -5.996 -10.572 -12.779 1.00 0.00 H new ATOM 0 HA SER A 5 -6.521 -13.257 -11.650 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.773 -11.047 -10.158 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.522 -10.965 -10.098 1.00 0.00 H new ATOM 0 HG SER A 5 -5.783 -12.845 -8.981 1.00 0.00 H new ATOM 48 N SER A 6 -8.566 -12.976 -13.079 1.00 0.00 N ATOM 49 CA SER A 6 -9.883 -12.938 -13.692 1.00 0.00 C ATOM 50 C SER A 6 -10.957 -13.232 -12.642 1.00 0.00 C ATOM 51 O SER A 6 -11.913 -12.472 -12.497 1.00 0.00 O ATOM 52 CB SER A 6 -9.983 -13.935 -14.847 1.00 0.00 C ATOM 53 OG SER A 6 -10.094 -13.282 -16.109 1.00 0.00 O ATOM 0 H SER A 6 -8.000 -13.786 -13.334 1.00 0.00 H new ATOM 0 HA SER A 6 -10.043 -11.939 -14.097 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.103 -14.578 -14.848 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.849 -14.580 -14.695 1.00 0.00 H new ATOM 0 HG SER A 6 -10.154 -13.953 -16.821 1.00 0.00 H new ATOM 59 N GLY A 7 -10.764 -14.338 -11.938 1.00 0.00 N ATOM 60 CA GLY A 7 -11.704 -14.742 -10.907 1.00 0.00 C ATOM 61 C GLY A 7 -11.538 -13.888 -9.648 1.00 0.00 C ATOM 62 O GLY A 7 -12.203 -12.865 -9.496 1.00 0.00 O ATOM 0 H GLY A 7 -9.970 -14.967 -12.062 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.723 -14.649 -11.282 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.550 -15.793 -10.661 1.00 0.00 H new ATOM 66 N VAL A 8 -10.646 -14.339 -8.779 1.00 0.00 N ATOM 67 CA VAL A 8 -10.384 -13.629 -7.538 1.00 0.00 C ATOM 68 C VAL A 8 -8.922 -13.833 -7.138 1.00 0.00 C ATOM 69 O VAL A 8 -8.376 -14.923 -7.301 1.00 0.00 O ATOM 70 CB VAL A 8 -11.369 -14.082 -6.458 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.153 -15.555 -6.102 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.264 -13.197 -5.215 1.00 0.00 C ATOM 0 H VAL A 8 -10.095 -15.188 -8.909 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.538 -12.558 -7.670 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.377 -13.978 -6.859 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.866 -15.852 -5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.301 -16.169 -6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.138 -15.694 -5.730 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.974 -13.540 -4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.253 -13.254 -4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -11.490 -12.165 -5.483 1.00 0.00 H new ATOM 82 N PRO A 9 -8.313 -12.738 -6.608 1.00 0.00 N ATOM 83 CA PRO A 9 -6.924 -12.786 -6.184 1.00 0.00 C ATOM 84 C PRO A 9 -6.781 -13.547 -4.864 1.00 0.00 C ATOM 85 O PRO A 9 -7.771 -14.003 -4.295 1.00 0.00 O ATOM 86 CB PRO A 9 -6.494 -11.332 -6.081 1.00 0.00 C ATOM 87 CG PRO A 9 -7.777 -10.522 -5.999 1.00 0.00 C ATOM 88 CD PRO A 9 -8.928 -11.430 -6.401 1.00 0.00 C ATOM 0 HA PRO A 9 -6.288 -13.327 -6.885 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.873 -11.170 -5.200 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.901 -11.038 -6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.925 -10.143 -4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.725 -9.656 -6.660 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.691 -11.470 -5.624 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.415 -11.073 -7.308 1.00 0.00 H new ATOM 96 N GLU A 10 -5.539 -13.661 -4.416 1.00 0.00 N ATOM 97 CA GLU A 10 -5.253 -14.359 -3.174 1.00 0.00 C ATOM 98 C GLU A 10 -4.659 -13.393 -2.147 1.00 0.00 C ATOM 99 O GLU A 10 -4.576 -12.191 -2.395 1.00 0.00 O ATOM 100 CB GLU A 10 -4.318 -15.546 -3.414 1.00 0.00 C ATOM 101 CG GLU A 10 -3.005 -15.088 -4.052 1.00 0.00 C ATOM 102 CD GLU A 10 -2.800 -15.746 -5.419 1.00 0.00 C ATOM 103 OE1 GLU A 10 -2.363 -16.917 -5.425 1.00 0.00 O ATOM 104 OE2 GLU A 10 -3.086 -15.063 -6.426 1.00 0.00 O ATOM 0 H GLU A 10 -4.720 -13.282 -4.891 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.189 -14.751 -2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.112 -16.048 -2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.807 -16.274 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.010 -14.004 -4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.171 -15.337 -3.396 1.00 0.00 H new ATOM 111 N LYS A 11 -4.262 -13.954 -1.014 1.00 0.00 N ATOM 112 CA LYS A 11 -3.679 -13.157 0.052 1.00 0.00 C ATOM 113 C LYS A 11 -2.169 -13.402 0.098 1.00 0.00 C ATOM 114 O LYS A 11 -1.713 -14.526 -0.105 1.00 0.00 O ATOM 115 CB LYS A 11 -4.388 -13.436 1.379 1.00 0.00 C ATOM 116 CG LYS A 11 -5.904 -13.293 1.231 1.00 0.00 C ATOM 117 CD LYS A 11 -6.600 -13.405 2.589 1.00 0.00 C ATOM 118 CE LYS A 11 -7.875 -12.559 2.622 1.00 0.00 C ATOM 119 NZ LYS A 11 -9.015 -13.318 2.059 1.00 0.00 N ATOM 0 H LYS A 11 -4.333 -14.951 -0.811 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.825 -12.095 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.146 -14.442 1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.027 -12.745 2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.139 -12.331 0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.282 -14.064 0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.846 -14.448 2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.922 -13.079 3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.097 -12.265 3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.725 -11.642 2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.872 -12.730 2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.807 -13.577 1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.168 -14.181 2.619 1.00 0.00 H new ATOM 133 N PHE A 12 -1.436 -12.332 0.367 1.00 0.00 N ATOM 134 CA PHE A 12 0.012 -12.416 0.442 1.00 0.00 C ATOM 135 C PHE A 12 0.517 -11.962 1.813 1.00 0.00 C ATOM 136 O PHE A 12 0.260 -10.834 2.231 1.00 0.00 O ATOM 137 CB PHE A 12 0.571 -11.479 -0.631 1.00 0.00 C ATOM 138 CG PHE A 12 -0.046 -11.680 -2.016 1.00 0.00 C ATOM 139 CD1 PHE A 12 -1.250 -11.121 -2.311 1.00 0.00 C ATOM 140 CD2 PHE A 12 0.608 -12.419 -2.952 1.00 0.00 C ATOM 141 CE1 PHE A 12 -1.824 -11.307 -3.597 1.00 0.00 C ATOM 142 CE2 PHE A 12 0.034 -12.605 -4.237 1.00 0.00 C ATOM 143 CZ PHE A 12 -1.170 -12.046 -4.533 1.00 0.00 C ATOM 0 H PHE A 12 -1.818 -11.402 0.536 1.00 0.00 H new ATOM 0 HA PHE A 12 0.333 -13.446 0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.408 -10.448 -0.318 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.649 -11.625 -0.700 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.770 -10.535 -1.567 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.564 -12.864 -2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.780 -10.862 -3.831 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.554 -13.191 -4.980 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.606 -12.189 -5.511 1.00 0.00 H new ATOM 153 N LYS A 13 1.228 -12.863 2.475 1.00 0.00 N ATOM 154 CA LYS A 13 1.771 -12.569 3.790 1.00 0.00 C ATOM 155 C LYS A 13 2.524 -11.238 3.740 1.00 0.00 C ATOM 156 O LYS A 13 3.136 -10.904 2.726 1.00 0.00 O ATOM 157 CB LYS A 13 2.621 -13.738 4.292 1.00 0.00 C ATOM 158 CG LYS A 13 2.529 -13.869 5.814 1.00 0.00 C ATOM 159 CD LYS A 13 3.818 -13.392 6.485 1.00 0.00 C ATOM 160 CE LYS A 13 4.069 -14.149 7.790 1.00 0.00 C ATOM 161 NZ LYS A 13 4.095 -13.212 8.936 1.00 0.00 N ATOM 0 H LYS A 13 1.441 -13.797 2.125 1.00 0.00 H new ATOM 0 HA LYS A 13 0.967 -12.454 4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.287 -14.663 3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.660 -13.589 3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.686 -13.285 6.182 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.338 -14.908 6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.660 -13.538 5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.753 -12.323 6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.289 -14.895 7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.016 -14.686 7.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.250 -13.744 9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.866 -12.526 8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.188 -12.707 8.992 1.00 0.00 H new ATOM 175 N LEU A 14 2.455 -10.513 4.847 1.00 0.00 N ATOM 176 CA LEU A 14 3.123 -9.226 4.942 1.00 0.00 C ATOM 177 C LEU A 14 4.497 -9.416 5.586 1.00 0.00 C ATOM 178 O LEU A 14 4.716 -10.379 6.320 1.00 0.00 O ATOM 179 CB LEU A 14 2.236 -8.215 5.670 1.00 0.00 C ATOM 180 CG LEU A 14 1.190 -7.499 4.813 1.00 0.00 C ATOM 181 CD1 LEU A 14 -0.226 -7.924 5.207 1.00 0.00 C ATOM 182 CD2 LEU A 14 1.372 -5.982 4.879 1.00 0.00 C ATOM 0 H LEU A 14 1.947 -10.792 5.686 1.00 0.00 H new ATOM 0 HA LEU A 14 3.292 -8.810 3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.721 -8.731 6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.878 -7.463 6.128 1.00 0.00 H new ATOM 0 HG LEU A 14 1.338 -7.796 3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.950 -7.400 4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.336 -8.999 5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.403 -7.675 6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.616 -5.498 4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.266 -5.647 5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.364 -5.718 4.512 1.00 0.00 H new ATOM 194 N SER A 15 5.389 -8.481 5.290 1.00 0.00 N ATOM 195 CA SER A 15 6.736 -8.534 5.832 1.00 0.00 C ATOM 196 C SER A 15 6.766 -7.897 7.222 1.00 0.00 C ATOM 197 O SER A 15 5.793 -7.273 7.644 1.00 0.00 O ATOM 198 CB SER A 15 7.730 -7.831 4.905 1.00 0.00 C ATOM 199 OG SER A 15 8.642 -8.748 4.306 1.00 0.00 O ATOM 0 H SER A 15 5.205 -7.683 4.682 1.00 0.00 H new ATOM 0 HA SER A 15 7.032 -9.580 5.912 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.185 -7.300 4.125 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.286 -7.083 5.470 1.00 0.00 H new ATOM 0 HG SER A 15 9.259 -8.261 3.720 1.00 0.00 H new ATOM 205 N THR A 16 7.892 -8.076 7.896 1.00 0.00 N ATOM 206 CA THR A 16 8.062 -7.527 9.231 1.00 0.00 C ATOM 207 C THR A 16 7.886 -6.007 9.208 1.00 0.00 C ATOM 208 O THR A 16 7.146 -5.452 10.018 1.00 0.00 O ATOM 209 CB THR A 16 9.427 -7.973 9.756 1.00 0.00 C ATOM 210 OG1 THR A 16 9.296 -9.384 9.909 1.00 0.00 O ATOM 211 CG2 THR A 16 9.703 -7.469 11.174 1.00 0.00 C ATOM 0 H THR A 16 8.697 -8.594 7.543 1.00 0.00 H new ATOM 0 HA THR A 16 7.298 -7.901 9.913 1.00 0.00 H new ATOM 0 HB THR A 16 10.208 -7.615 9.085 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.138 -9.756 10.245 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.685 -7.814 11.498 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.680 -6.379 11.184 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.941 -7.854 11.852 1.00 0.00 H new ATOM 219 N ALA A 17 8.581 -5.377 8.272 1.00 0.00 N ATOM 220 CA ALA A 17 8.511 -3.933 8.133 1.00 0.00 C ATOM 221 C ALA A 17 7.149 -3.545 7.555 1.00 0.00 C ATOM 222 O ALA A 17 6.496 -2.630 8.054 1.00 0.00 O ATOM 223 CB ALA A 17 9.673 -3.447 7.263 1.00 0.00 C ATOM 0 H ALA A 17 9.195 -5.841 7.603 1.00 0.00 H new ATOM 0 HA ALA A 17 8.606 -3.449 9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.621 -2.363 7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.618 -3.721 7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.609 -3.910 6.278 1.00 0.00 H new ATOM 229 N LEU A 18 6.759 -4.261 6.511 1.00 0.00 N ATOM 230 CA LEU A 18 5.486 -4.004 5.860 1.00 0.00 C ATOM 231 C LEU A 18 4.359 -4.123 6.888 1.00 0.00 C ATOM 232 O LEU A 18 3.377 -3.384 6.827 1.00 0.00 O ATOM 233 CB LEU A 18 5.310 -4.918 4.646 1.00 0.00 C ATOM 234 CG LEU A 18 4.672 -4.278 3.411 1.00 0.00 C ATOM 235 CD1 LEU A 18 5.425 -3.012 2.999 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.571 -5.284 2.262 1.00 0.00 C ATOM 0 H LEU A 18 7.303 -5.020 6.100 1.00 0.00 H new ATOM 0 HA LEU A 18 5.457 -2.986 5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.288 -5.307 4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.701 -5.771 4.944 1.00 0.00 H new ATOM 0 HG LEU A 18 3.656 -3.979 3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.951 -2.577 2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.401 -2.292 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.460 -3.263 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.114 -4.804 1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.568 -5.635 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.959 -6.131 2.572 1.00 0.00 H new ATOM 248 N MET A 19 4.538 -5.059 7.808 1.00 0.00 N ATOM 249 CA MET A 19 3.548 -5.285 8.848 1.00 0.00 C ATOM 250 C MET A 19 3.513 -4.116 9.835 1.00 0.00 C ATOM 251 O MET A 19 2.448 -3.744 10.325 1.00 0.00 O ATOM 252 CB MET A 19 3.881 -6.576 9.598 1.00 0.00 C ATOM 253 CG MET A 19 3.214 -7.783 8.935 1.00 0.00 C ATOM 254 SD MET A 19 2.988 -9.089 10.131 1.00 0.00 S ATOM 255 CE MET A 19 4.635 -9.778 10.151 1.00 0.00 C ATOM 0 H MET A 19 5.354 -5.670 7.855 1.00 0.00 H new ATOM 0 HA MET A 19 2.568 -5.369 8.378 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.961 -6.720 9.620 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.549 -6.495 10.633 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.251 -7.492 8.516 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.827 -8.139 8.107 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.659 -10.645 10.811 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.914 -10.082 9.142 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.339 -9.028 10.512 1.00 0.00 H new ATOM 265 N ASP A 20 4.691 -3.569 10.097 1.00 0.00 N ATOM 266 CA ASP A 20 4.808 -2.449 11.016 1.00 0.00 C ATOM 267 C ASP A 20 4.360 -1.167 10.311 1.00 0.00 C ATOM 268 O ASP A 20 4.160 -0.139 10.955 1.00 0.00 O ATOM 269 CB ASP A 20 6.257 -2.258 11.468 1.00 0.00 C ATOM 270 CG ASP A 20 6.429 -1.863 12.936 1.00 0.00 C ATOM 271 OD1 ASP A 20 5.447 -2.034 13.689 1.00 0.00 O ATOM 272 OD2 ASP A 20 7.540 -1.398 13.272 1.00 0.00 O ATOM 0 H ASP A 20 5.573 -3.880 9.689 1.00 0.00 H new ATOM 0 HA ASP A 20 4.183 -2.658 11.884 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.802 -3.185 11.290 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.718 -1.492 10.845 1.00 0.00 H new ATOM 277 N VAL A 21 4.215 -1.271 8.999 1.00 0.00 N ATOM 278 CA VAL A 21 3.794 -0.133 8.200 1.00 0.00 C ATOM 279 C VAL A 21 2.274 0.016 8.294 1.00 0.00 C ATOM 280 O VAL A 21 1.762 1.128 8.412 1.00 0.00 O ATOM 281 CB VAL A 21 4.291 -0.290 6.761 1.00 0.00 C ATOM 282 CG1 VAL A 21 3.720 0.807 5.861 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.820 -0.302 6.708 1.00 0.00 C ATOM 0 H VAL A 21 4.382 -2.126 8.469 1.00 0.00 H new ATOM 0 HA VAL A 21 4.236 0.787 8.584 1.00 0.00 H new ATOM 0 HB VAL A 21 3.935 -1.250 6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.089 0.672 4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.632 0.749 5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.032 1.783 6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.147 -0.415 5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.205 0.635 7.111 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.198 -1.135 7.301 1.00 0.00 H new ATOM 293 N LEU A 22 1.595 -1.120 8.237 1.00 0.00 N ATOM 294 CA LEU A 22 0.144 -1.130 8.315 1.00 0.00 C ATOM 295 C LEU A 22 -0.287 -1.739 9.650 1.00 0.00 C ATOM 296 O LEU A 22 -0.932 -1.076 10.460 1.00 0.00 O ATOM 297 CB LEU A 22 -0.452 -1.836 7.095 1.00 0.00 C ATOM 298 CG LEU A 22 0.271 -1.606 5.767 1.00 0.00 C ATOM 299 CD1 LEU A 22 -0.259 -2.548 4.684 1.00 0.00 C ATOM 300 CD2 LEU A 22 0.184 -0.138 5.342 1.00 0.00 C ATOM 0 H LEU A 22 2.023 -2.041 8.138 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.246 -0.113 8.289 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.472 -2.907 7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.487 -1.513 6.983 1.00 0.00 H new ATOM 0 HG LEU A 22 1.327 -1.839 5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.272 -2.364 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.103 -3.582 4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.324 -2.371 4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.706 -0.002 4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.862 0.145 5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.646 0.489 6.104 1.00 0.00 H new ATOM 312 N GLY A 23 0.087 -2.996 9.839 1.00 0.00 N ATOM 313 CA GLY A 23 -0.253 -3.703 11.062 1.00 0.00 C ATOM 314 C GLY A 23 -1.120 -4.928 10.765 1.00 0.00 C ATOM 315 O GLY A 23 -1.998 -5.277 11.552 1.00 0.00 O ATOM 0 H GLY A 23 0.623 -3.543 9.165 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.659 -4.014 11.572 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.784 -3.033 11.738 1.00 0.00 H new ATOM 319 N ILE A 24 -0.843 -5.547 9.627 1.00 0.00 N ATOM 320 CA ILE A 24 -1.587 -6.726 9.216 1.00 0.00 C ATOM 321 C ILE A 24 -0.664 -7.946 9.257 1.00 0.00 C ATOM 322 O ILE A 24 0.444 -7.872 9.785 1.00 0.00 O ATOM 323 CB ILE A 24 -2.243 -6.497 7.853 1.00 0.00 C ATOM 324 CG1 ILE A 24 -1.524 -5.392 7.077 1.00 0.00 C ATOM 325 CG2 ILE A 24 -3.738 -6.209 8.006 1.00 0.00 C ATOM 326 CD1 ILE A 24 -2.028 -5.318 5.634 1.00 0.00 C ATOM 0 H ILE A 24 -0.114 -5.255 8.977 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.405 -6.921 9.909 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.149 -7.413 7.270 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.683 -4.433 7.571 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.450 -5.579 7.082 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.180 -6.050 7.023 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.224 -7.056 8.490 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.876 -5.315 8.615 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.501 -4.524 5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.846 -6.270 5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.097 -5.107 5.632 1.00 0.00 H new ATOM 338 N GLU A 25 -1.156 -9.039 8.693 1.00 0.00 N ATOM 339 CA GLU A 25 -0.390 -10.273 8.659 1.00 0.00 C ATOM 340 C GLU A 25 -0.657 -11.027 7.354 1.00 0.00 C ATOM 341 O GLU A 25 0.273 -11.509 6.710 1.00 0.00 O ATOM 342 CB GLU A 25 -0.706 -11.149 9.873 1.00 0.00 C ATOM 343 CG GLU A 25 0.364 -12.225 10.066 1.00 0.00 C ATOM 344 CD GLU A 25 0.512 -12.593 11.543 1.00 0.00 C ATOM 345 OE1 GLU A 25 -0.313 -13.407 12.011 1.00 0.00 O ATOM 346 OE2 GLU A 25 1.447 -12.052 12.172 1.00 0.00 O ATOM 0 H GLU A 25 -2.076 -9.096 8.256 1.00 0.00 H new ATOM 0 HA GLU A 25 0.670 -10.021 8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.768 -10.529 10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.681 -11.619 9.743 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.100 -13.113 9.491 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.318 -11.867 9.679 1.00 0.00 H new ATOM 353 N VAL A 26 -1.932 -11.106 7.004 1.00 0.00 N ATOM 354 CA VAL A 26 -2.333 -11.793 5.788 1.00 0.00 C ATOM 355 C VAL A 26 -3.391 -10.959 5.061 1.00 0.00 C ATOM 356 O VAL A 26 -4.565 -10.985 5.426 1.00 0.00 O ATOM 357 CB VAL A 26 -2.812 -13.208 6.121 1.00 0.00 C ATOM 358 CG1 VAL A 26 -2.942 -14.055 4.853 1.00 0.00 C ATOM 359 CG2 VAL A 26 -1.883 -13.877 7.135 1.00 0.00 C ATOM 0 H VAL A 26 -2.701 -10.706 7.541 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.484 -11.901 5.113 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.800 -13.129 6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.284 -15.056 5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.662 -13.592 4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.973 -14.121 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.246 -14.881 7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.876 -13.937 6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.863 -13.290 8.053 1.00 0.00 H new ATOM 369 N GLU A 27 -2.935 -10.240 4.046 1.00 0.00 N ATOM 370 CA GLU A 27 -3.827 -9.400 3.264 1.00 0.00 C ATOM 371 C GLU A 27 -3.690 -9.722 1.775 1.00 0.00 C ATOM 372 O GLU A 27 -2.942 -10.622 1.397 1.00 0.00 O ATOM 373 CB GLU A 27 -3.559 -7.918 3.532 1.00 0.00 C ATOM 374 CG GLU A 27 -4.865 -7.162 3.785 1.00 0.00 C ATOM 375 CD GLU A 27 -5.668 -7.816 4.912 1.00 0.00 C ATOM 376 OE1 GLU A 27 -5.018 -8.394 5.810 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.913 -7.722 4.851 1.00 0.00 O ATOM 0 H GLU A 27 -1.960 -10.222 3.747 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.852 -9.611 3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.901 -7.814 4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.039 -7.479 2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.645 -6.126 4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.461 -7.143 2.873 1.00 0.00 H new ATOM 384 N THR A 28 -4.424 -8.969 0.969 1.00 0.00 N ATOM 385 CA THR A 28 -4.393 -9.162 -0.470 1.00 0.00 C ATOM 386 C THR A 28 -3.350 -8.244 -1.110 1.00 0.00 C ATOM 387 O THR A 28 -2.541 -7.635 -0.411 1.00 0.00 O ATOM 388 CB THR A 28 -5.809 -8.941 -1.007 1.00 0.00 C ATOM 389 OG1 THR A 28 -6.073 -7.567 -0.734 1.00 0.00 O ATOM 390 CG2 THR A 28 -6.867 -9.692 -0.197 1.00 0.00 C ATOM 0 H THR A 28 -5.044 -8.224 1.286 1.00 0.00 H new ATOM 0 HA THR A 28 -4.087 -10.176 -0.726 1.00 0.00 H new ATOM 0 HB THR A 28 -5.856 -9.260 -2.048 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.768 -7.240 -1.343 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.853 -9.501 -0.620 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.659 -10.761 -0.230 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.844 -9.350 0.838 1.00 0.00 H new ATOM 398 N ARG A 29 -3.402 -8.172 -2.432 1.00 0.00 N ATOM 399 CA ARG A 29 -2.472 -7.338 -3.174 1.00 0.00 C ATOM 400 C ARG A 29 -2.941 -5.882 -3.165 1.00 0.00 C ATOM 401 O ARG A 29 -2.146 -4.971 -2.938 1.00 0.00 O ATOM 402 CB ARG A 29 -2.339 -7.815 -4.622 1.00 0.00 C ATOM 403 CG ARG A 29 -0.918 -7.591 -5.144 1.00 0.00 C ATOM 404 CD ARG A 29 -0.885 -7.625 -6.673 1.00 0.00 C ATOM 405 NE ARG A 29 -1.020 -6.253 -7.213 1.00 0.00 N ATOM 406 CZ ARG A 29 -0.724 -5.909 -8.473 1.00 0.00 C ATOM 407 NH1 ARG A 29 -0.275 -6.834 -9.332 1.00 0.00 N ATOM 408 NH2 ARG A 29 -0.878 -4.640 -8.875 1.00 0.00 N ATOM 0 H ARG A 29 -4.074 -8.678 -3.009 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.499 -7.413 -2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.591 -8.874 -4.685 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.050 -7.280 -5.252 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.544 -6.631 -4.790 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.255 -8.358 -4.745 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.050 -8.069 -7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.692 -8.254 -7.049 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.360 -5.524 -6.586 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.159 -7.800 -9.026 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.050 -6.572 -10.292 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.221 -3.936 -8.221 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.653 -4.378 -9.835 1.00 0.00 H new ATOM 422 N PRO A 30 -4.265 -5.703 -3.420 1.00 0.00 N ATOM 423 CA PRO A 30 -4.850 -4.373 -3.444 1.00 0.00 C ATOM 424 C PRO A 30 -5.013 -3.821 -2.026 1.00 0.00 C ATOM 425 O PRO A 30 -4.778 -2.638 -1.786 1.00 0.00 O ATOM 426 CB PRO A 30 -6.173 -4.538 -4.173 1.00 0.00 C ATOM 427 CG PRO A 30 -6.496 -6.022 -4.121 1.00 0.00 C ATOM 428 CD PRO A 30 -5.237 -6.758 -3.693 1.00 0.00 C ATOM 0 HA PRO A 30 -4.219 -3.645 -3.953 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.958 -3.951 -3.696 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.097 -4.191 -5.203 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.307 -6.212 -3.418 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.831 -6.374 -5.097 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.417 -7.369 -2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.884 -7.428 -4.477 1.00 0.00 H new ATOM 436 N ARG A 31 -5.415 -4.705 -1.124 1.00 0.00 N ATOM 437 CA ARG A 31 -5.613 -4.321 0.263 1.00 0.00 C ATOM 438 C ARG A 31 -4.365 -3.618 0.803 1.00 0.00 C ATOM 439 O ARG A 31 -4.458 -2.534 1.376 1.00 0.00 O ATOM 440 CB ARG A 31 -5.919 -5.541 1.134 1.00 0.00 C ATOM 441 CG ARG A 31 -7.345 -6.040 0.897 1.00 0.00 C ATOM 442 CD ARG A 31 -8.321 -5.403 1.888 1.00 0.00 C ATOM 443 NE ARG A 31 -8.837 -4.127 1.342 1.00 0.00 N ATOM 444 CZ ARG A 31 -9.848 -3.434 1.881 1.00 0.00 C ATOM 445 NH1 ARG A 31 -10.459 -3.887 2.984 1.00 0.00 N ATOM 446 NH2 ARG A 31 -10.249 -2.286 1.317 1.00 0.00 N ATOM 0 H ARG A 31 -5.609 -5.686 -1.327 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.463 -3.640 0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.209 -6.338 0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.790 -5.283 2.185 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.651 -5.805 -0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.376 -7.125 0.997 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.148 -6.085 2.085 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.821 -5.225 2.840 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.395 -3.752 0.503 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.154 -4.760 3.414 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.229 -3.358 3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.784 -1.941 0.477 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.019 -1.758 1.727 1.00 0.00 H new ATOM 460 N ILE A 32 -3.226 -4.264 0.599 1.00 0.00 N ATOM 461 CA ILE A 32 -1.962 -3.714 1.058 1.00 0.00 C ATOM 462 C ILE A 32 -1.702 -2.383 0.349 1.00 0.00 C ATOM 463 O ILE A 32 -1.635 -1.337 0.992 1.00 0.00 O ATOM 464 CB ILE A 32 -0.837 -4.736 0.879 1.00 0.00 C ATOM 465 CG1 ILE A 32 -1.184 -6.059 1.565 1.00 0.00 C ATOM 466 CG2 ILE A 32 0.499 -4.171 1.364 1.00 0.00 C ATOM 467 CD1 ILE A 32 -0.191 -7.155 1.175 1.00 0.00 C ATOM 0 H ILE A 32 -3.152 -5.163 0.122 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.004 -3.503 2.127 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.730 -4.944 -0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.177 -5.925 2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.194 -6.363 1.288 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.281 -4.917 1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.745 -3.277 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.424 -3.916 2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.460 -8.085 1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.218 -7.303 0.095 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.814 -6.859 1.475 1.00 0.00 H new ATOM 479 N ILE A 33 -1.564 -2.467 -0.966 1.00 0.00 N ATOM 480 CA ILE A 33 -1.313 -1.282 -1.769 1.00 0.00 C ATOM 481 C ILE A 33 -2.149 -0.119 -1.229 1.00 0.00 C ATOM 482 O ILE A 33 -1.632 0.978 -1.025 1.00 0.00 O ATOM 483 CB ILE A 33 -1.556 -1.578 -3.250 1.00 0.00 C ATOM 484 CG1 ILE A 33 -0.502 -2.543 -3.797 1.00 0.00 C ATOM 485 CG2 ILE A 33 -1.624 -0.283 -4.064 1.00 0.00 C ATOM 486 CD1 ILE A 33 -0.967 -3.177 -5.109 1.00 0.00 C ATOM 0 H ILE A 33 -1.621 -3.337 -1.495 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.267 -0.985 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.524 -2.070 -3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.435 -2.010 -3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.302 -3.323 -3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.797 -0.522 -5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.440 0.337 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.683 0.258 -3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.199 -3.858 -5.476 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.891 -3.729 -4.939 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.142 -2.396 -5.849 1.00 0.00 H new ATOM 498 N ALA A 34 -3.426 -0.400 -1.014 1.00 0.00 N ATOM 499 CA ALA A 34 -4.337 0.609 -0.501 1.00 0.00 C ATOM 500 C ALA A 34 -3.958 0.947 0.942 1.00 0.00 C ATOM 501 O ALA A 34 -3.835 2.119 1.297 1.00 0.00 O ATOM 502 CB ALA A 34 -5.777 0.106 -0.623 1.00 0.00 C ATOM 0 H ALA A 34 -3.851 -1.311 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.261 1.526 -1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.461 0.863 -0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.006 -0.091 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.892 -0.813 -0.048 1.00 0.00 H new ATOM 508 N ALA A 35 -3.783 -0.099 1.735 1.00 0.00 N ATOM 509 CA ALA A 35 -3.420 0.072 3.131 1.00 0.00 C ATOM 510 C ALA A 35 -2.289 1.097 3.238 1.00 0.00 C ATOM 511 O ALA A 35 -2.188 1.814 4.232 1.00 0.00 O ATOM 512 CB ALA A 35 -3.037 -1.283 3.730 1.00 0.00 C ATOM 0 H ALA A 35 -3.886 -1.069 1.437 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.266 0.453 3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.765 -1.154 4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.884 -1.966 3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.189 -1.696 3.183 1.00 0.00 H new ATOM 518 N ILE A 36 -1.466 1.132 2.200 1.00 0.00 N ATOM 519 CA ILE A 36 -0.346 2.057 2.165 1.00 0.00 C ATOM 520 C ILE A 36 -0.835 3.426 1.686 1.00 0.00 C ATOM 521 O ILE A 36 -0.371 4.458 2.168 1.00 0.00 O ATOM 522 CB ILE A 36 0.796 1.484 1.323 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.381 0.229 1.975 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.867 2.544 1.057 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.314 -0.506 1.010 1.00 0.00 C ATOM 0 H ILE A 36 -1.552 0.535 1.377 1.00 0.00 H new ATOM 0 HA ILE A 36 0.064 2.196 3.165 1.00 0.00 H new ATOM 0 HB ILE A 36 0.391 1.186 0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.928 0.505 2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.574 -0.435 2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.667 2.110 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.424 3.382 0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.274 2.895 2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.716 -1.394 1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.758 -0.801 0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.134 0.153 0.723 1.00 0.00 H new ATOM 537 N TRP A 37 -1.766 3.390 0.744 1.00 0.00 N ATOM 538 CA TRP A 37 -2.323 4.614 0.196 1.00 0.00 C ATOM 539 C TRP A 37 -2.962 5.399 1.343 1.00 0.00 C ATOM 540 O TRP A 37 -2.736 6.601 1.480 1.00 0.00 O ATOM 541 CB TRP A 37 -3.304 4.310 -0.939 1.00 0.00 C ATOM 542 CG TRP A 37 -2.649 3.709 -2.184 1.00 0.00 C ATOM 543 CD1 TRP A 37 -1.426 3.172 -2.294 1.00 0.00 C ATOM 544 CD2 TRP A 37 -3.235 3.605 -3.498 1.00 0.00 C ATOM 545 NE1 TRP A 37 -1.183 2.730 -3.579 1.00 0.00 N ATOM 546 CE2 TRP A 37 -2.317 3.002 -4.334 1.00 0.00 C ATOM 547 CE3 TRP A 37 -4.499 4.006 -3.966 1.00 0.00 C ATOM 548 CZ2 TRP A 37 -2.566 2.747 -5.688 1.00 0.00 C ATOM 549 CZ3 TRP A 37 -4.732 3.745 -5.321 1.00 0.00 C ATOM 550 CH2 TRP A 37 -3.818 3.139 -6.176 1.00 0.00 C ATOM 0 H TRP A 37 -2.148 2.532 0.347 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.540 5.227 -0.251 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.065 3.621 -0.573 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.816 5.231 -1.219 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.720 3.095 -1.480 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.328 2.285 -3.913 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.233 4.478 -3.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.831 2.273 -6.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.688 4.034 -5.731 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.073 2.972 -7.212 1.00 0.00 H new ATOM 561 N HIS A 38 -3.746 4.688 2.140 1.00 0.00 N ATOM 562 CA HIS A 38 -4.419 5.303 3.272 1.00 0.00 C ATOM 563 C HIS A 38 -3.384 5.723 4.318 1.00 0.00 C ATOM 564 O HIS A 38 -3.305 6.894 4.684 1.00 0.00 O ATOM 565 CB HIS A 38 -5.491 4.371 3.839 1.00 0.00 C ATOM 566 CG HIS A 38 -5.851 4.653 5.278 1.00 0.00 C ATOM 567 ND1 HIS A 38 -6.201 3.656 6.172 1.00 0.00 N ATOM 568 CD2 HIS A 38 -5.910 5.828 5.968 1.00 0.00 C ATOM 569 CE1 HIS A 38 -6.458 4.218 7.345 1.00 0.00 C ATOM 570 NE2 HIS A 38 -6.278 5.564 7.216 1.00 0.00 N ATOM 0 H HIS A 38 -3.930 3.691 2.024 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.940 6.203 2.945 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.390 4.453 3.228 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.143 3.341 3.757 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.694 6.807 5.567 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.757 3.701 8.245 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.405 6.254 7.956 1.00 0.00 H new ATOM 578 N TYR A 39 -2.615 4.742 4.769 1.00 0.00 N ATOM 579 CA TYR A 39 -1.588 4.994 5.766 1.00 0.00 C ATOM 580 C TYR A 39 -0.823 6.282 5.451 1.00 0.00 C ATOM 581 O TYR A 39 -0.784 7.200 6.268 1.00 0.00 O ATOM 582 CB TYR A 39 -0.624 3.810 5.686 1.00 0.00 C ATOM 583 CG TYR A 39 0.634 3.973 6.542 1.00 0.00 C ATOM 584 CD1 TYR A 39 0.520 4.204 7.898 1.00 0.00 C ATOM 585 CD2 TYR A 39 1.882 3.889 5.959 1.00 0.00 C ATOM 586 CE1 TYR A 39 1.704 4.358 8.704 1.00 0.00 C ATOM 587 CE2 TYR A 39 3.065 4.042 6.765 1.00 0.00 C ATOM 588 CZ TYR A 39 2.918 4.269 8.097 1.00 0.00 C ATOM 589 OH TYR A 39 4.036 4.414 8.858 1.00 0.00 O ATOM 0 H TYR A 39 -2.683 3.772 4.462 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.032 5.106 6.755 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.148 2.906 5.997 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.328 3.665 4.647 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.457 4.269 8.355 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.971 3.708 4.898 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.629 4.540 9.766 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.047 3.978 6.321 1.00 0.00 H new ATOM 0 HH TYR A 39 4.831 4.326 8.292 1.00 0.00 H new ATOM 599 N VAL A 40 -0.235 6.307 4.264 1.00 0.00 N ATOM 600 CA VAL A 40 0.527 7.466 3.831 1.00 0.00 C ATOM 601 C VAL A 40 -0.214 8.740 4.243 1.00 0.00 C ATOM 602 O VAL A 40 0.315 9.554 4.999 1.00 0.00 O ATOM 603 CB VAL A 40 0.790 7.388 2.326 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.217 8.748 1.772 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.833 6.314 2.008 1.00 0.00 C ATOM 0 H VAL A 40 -0.271 5.543 3.589 1.00 0.00 H new ATOM 0 HA VAL A 40 1.503 7.485 4.317 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.142 7.106 1.837 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.398 8.664 0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.427 9.478 1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.131 9.073 2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.002 6.278 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.768 6.553 2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.473 5.344 2.351 1.00 0.00 H new ATOM 615 N LYS A 41 -1.427 8.874 3.727 1.00 0.00 N ATOM 616 CA LYS A 41 -2.246 10.035 4.031 1.00 0.00 C ATOM 617 C LYS A 41 -2.503 10.092 5.538 1.00 0.00 C ATOM 618 O LYS A 41 -2.612 11.174 6.113 1.00 0.00 O ATOM 619 CB LYS A 41 -3.523 10.026 3.189 1.00 0.00 C ATOM 620 CG LYS A 41 -4.699 10.616 3.970 1.00 0.00 C ATOM 621 CD LYS A 41 -5.710 11.271 3.027 1.00 0.00 C ATOM 622 CE LYS A 41 -6.296 12.541 3.647 1.00 0.00 C ATOM 623 NZ LYS A 41 -7.337 13.116 2.766 1.00 0.00 N ATOM 0 H LYS A 41 -1.862 8.197 3.100 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.722 10.952 3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.364 10.599 2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.757 9.005 2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.189 9.830 4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.332 11.353 4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.226 11.514 2.081 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.512 10.568 2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.723 12.312 4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.504 13.272 3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.724 13.977 3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.919 13.353 1.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.101 12.423 2.632 1.00 0.00 H new ATOM 637 N ALA A 42 -2.593 8.912 6.136 1.00 0.00 N ATOM 638 CA ALA A 42 -2.836 8.814 7.565 1.00 0.00 C ATOM 639 C ALA A 42 -1.811 9.670 8.312 1.00 0.00 C ATOM 640 O ALA A 42 -2.178 10.613 9.012 1.00 0.00 O ATOM 641 CB ALA A 42 -2.789 7.345 7.991 1.00 0.00 C ATOM 0 H ALA A 42 -2.502 8.016 5.656 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.827 9.194 7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.971 7.271 9.063 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.555 6.786 7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.808 6.931 7.760 1.00 0.00 H new ATOM 647 N ARG A 43 -0.548 9.312 8.137 1.00 0.00 N ATOM 648 CA ARG A 43 0.532 10.036 8.786 1.00 0.00 C ATOM 649 C ARG A 43 0.967 11.224 7.925 1.00 0.00 C ATOM 650 O ARG A 43 2.144 11.579 7.901 1.00 0.00 O ATOM 651 CB ARG A 43 1.737 9.125 9.031 1.00 0.00 C ATOM 652 CG ARG A 43 1.507 8.228 10.249 1.00 0.00 C ATOM 653 CD ARG A 43 0.376 7.231 9.991 1.00 0.00 C ATOM 654 NE ARG A 43 0.191 6.357 11.171 1.00 0.00 N ATOM 655 CZ ARG A 43 -0.440 6.733 12.292 1.00 0.00 C ATOM 656 NH1 ARG A 43 -0.951 7.968 12.391 1.00 0.00 N ATOM 657 NH2 ARG A 43 -0.561 5.874 13.313 1.00 0.00 N ATOM 0 H ARG A 43 -0.248 8.530 7.555 1.00 0.00 H new ATOM 0 HA ARG A 43 0.161 10.395 9.746 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.917 8.509 8.150 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.630 9.731 9.184 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.424 7.689 10.486 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.264 8.842 11.116 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.549 7.766 9.776 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.606 6.627 9.113 1.00 0.00 H new ATOM 0 HE ARG A 43 0.567 5.410 11.128 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.860 8.622 11.613 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.431 8.254 13.244 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.173 4.934 13.237 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.041 6.160 14.166 1.00 0.00 H new ATOM 671 N LYS A 44 -0.007 11.805 7.240 1.00 0.00 N ATOM 672 CA LYS A 44 0.260 12.946 6.381 1.00 0.00 C ATOM 673 C LYS A 44 1.601 12.742 5.673 1.00 0.00 C ATOM 674 O LYS A 44 2.496 13.579 5.778 1.00 0.00 O ATOM 675 CB LYS A 44 0.178 14.249 7.179 1.00 0.00 C ATOM 676 CG LYS A 44 -1.275 14.697 7.347 1.00 0.00 C ATOM 677 CD LYS A 44 -1.691 14.667 8.820 1.00 0.00 C ATOM 678 CE LYS A 44 -3.179 14.986 8.976 1.00 0.00 C ATOM 679 NZ LYS A 44 -3.724 14.334 10.187 1.00 0.00 N ATOM 0 H LYS A 44 -0.982 11.507 7.262 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.502 13.026 5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.635 14.109 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.746 15.028 6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.397 15.705 6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.929 14.046 6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.480 13.684 9.241 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.100 15.389 9.383 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.321 16.065 9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.724 14.646 8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.735 14.561 10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.606 13.304 10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.215 14.679 11.026 1.00 0.00 H new ATOM 693 N LEU A 45 1.698 11.625 4.967 1.00 0.00 N ATOM 694 CA LEU A 45 2.914 11.301 4.241 1.00 0.00 C ATOM 695 C LEU A 45 2.792 11.800 2.800 1.00 0.00 C ATOM 696 O LEU A 45 3.789 12.165 2.179 1.00 0.00 O ATOM 697 CB LEU A 45 3.221 9.806 4.351 1.00 0.00 C ATOM 698 CG LEU A 45 3.769 9.330 5.698 1.00 0.00 C ATOM 699 CD1 LEU A 45 3.942 7.810 5.713 1.00 0.00 C ATOM 700 CD2 LEU A 45 5.068 10.059 6.049 1.00 0.00 C ATOM 0 H LEU A 45 0.954 10.933 4.882 1.00 0.00 H new ATOM 0 HA LEU A 45 3.769 11.812 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.308 9.251 4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.942 9.546 3.576 1.00 0.00 H new ATOM 0 HG LEU A 45 3.041 9.578 6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.333 7.498 6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.978 7.332 5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.639 7.515 4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.437 9.703 7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.814 9.863 5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.879 11.131 6.107 1.00 0.00 H new ATOM 712 N GLN A 46 1.561 11.800 2.310 1.00 0.00 N ATOM 713 CA GLN A 46 1.295 12.248 0.954 1.00 0.00 C ATOM 714 C GLN A 46 2.159 13.465 0.618 1.00 0.00 C ATOM 715 O GLN A 46 2.403 14.313 1.476 1.00 0.00 O ATOM 716 CB GLN A 46 -0.190 12.559 0.760 1.00 0.00 C ATOM 717 CG GLN A 46 -0.555 12.588 -0.725 1.00 0.00 C ATOM 718 CD GLN A 46 -1.954 13.172 -0.935 1.00 0.00 C ATOM 719 OE1 GLN A 46 -2.812 13.121 -0.069 1.00 0.00 O ATOM 720 NE2 GLN A 46 -2.135 13.727 -2.130 1.00 0.00 N ATOM 0 H GLN A 46 0.737 11.497 2.828 1.00 0.00 H new ATOM 0 HA GLN A 46 1.555 11.442 0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.792 11.808 1.271 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.426 13.521 1.215 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.177 13.183 -1.271 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.514 11.578 -1.133 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.374 13.736 -2.809 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.035 14.144 -2.368 1.00 0.00 H new ATOM 729 N ASN A 47 2.597 13.514 -0.631 1.00 0.00 N ATOM 730 CA ASN A 47 3.429 14.613 -1.090 1.00 0.00 C ATOM 731 C ASN A 47 2.561 15.621 -1.847 1.00 0.00 C ATOM 732 O ASN A 47 1.706 15.235 -2.642 1.00 0.00 O ATOM 733 CB ASN A 47 4.519 14.119 -2.043 1.00 0.00 C ATOM 734 CG ASN A 47 5.810 14.921 -1.862 1.00 0.00 C ATOM 735 OD1 ASN A 47 6.196 15.722 -2.697 1.00 0.00 O ATOM 736 ND2 ASN A 47 6.453 14.661 -0.727 1.00 0.00 N ATOM 0 H ASN A 47 2.391 12.810 -1.340 1.00 0.00 H new ATOM 0 HA ASN A 47 3.894 15.071 -0.217 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.715 13.062 -1.861 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.174 14.207 -3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.325 15.145 -0.513 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.074 13.978 -0.071 1.00 0.00 H new ATOM 743 N PRO A 48 2.819 16.927 -1.566 1.00 0.00 N ATOM 744 CA PRO A 48 2.071 17.992 -2.212 1.00 0.00 C ATOM 745 C PRO A 48 2.523 18.179 -3.661 1.00 0.00 C ATOM 746 O PRO A 48 1.702 18.178 -4.577 1.00 0.00 O ATOM 747 CB PRO A 48 2.315 19.221 -1.351 1.00 0.00 C ATOM 748 CG PRO A 48 3.554 18.913 -0.526 1.00 0.00 C ATOM 749 CD PRO A 48 3.824 17.421 -0.631 1.00 0.00 C ATOM 0 HA PRO A 48 1.005 17.775 -2.282 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.467 20.106 -1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.458 19.424 -0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.408 19.482 -0.893 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.402 19.201 0.514 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.833 17.226 -0.995 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.735 16.933 0.340 1.00 0.00 H new ATOM 757 N ASN A 49 3.829 18.336 -3.825 1.00 0.00 N ATOM 758 CA ASN A 49 4.400 18.524 -5.148 1.00 0.00 C ATOM 759 C ASN A 49 3.762 17.530 -6.120 1.00 0.00 C ATOM 760 O ASN A 49 3.330 17.910 -7.207 1.00 0.00 O ATOM 761 CB ASN A 49 5.909 18.272 -5.137 1.00 0.00 C ATOM 762 CG ASN A 49 6.675 19.543 -4.766 1.00 0.00 C ATOM 763 OD1 ASN A 49 6.913 20.417 -5.584 1.00 0.00 O ATOM 764 ND2 ASN A 49 7.047 19.599 -3.490 1.00 0.00 N ATOM 0 H ASN A 49 4.508 18.337 -3.064 1.00 0.00 H new ATOM 0 HA ASN A 49 4.208 19.552 -5.455 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.144 17.481 -4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.230 17.923 -6.118 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.563 20.408 -3.144 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.816 18.833 -2.857 1.00 0.00 H new ATOM 771 N ASP A 50 3.723 16.276 -5.693 1.00 0.00 N ATOM 772 CA ASP A 50 3.145 15.224 -6.513 1.00 0.00 C ATOM 773 C ASP A 50 2.198 14.380 -5.658 1.00 0.00 C ATOM 774 O ASP A 50 2.601 13.837 -4.630 1.00 0.00 O ATOM 775 CB ASP A 50 4.230 14.301 -7.070 1.00 0.00 C ATOM 776 CG ASP A 50 5.091 14.910 -8.178 1.00 0.00 C ATOM 777 OD1 ASP A 50 4.711 16.000 -8.658 1.00 0.00 O ATOM 778 OD2 ASP A 50 6.109 14.271 -8.521 1.00 0.00 O ATOM 0 H ASP A 50 4.082 15.965 -4.790 1.00 0.00 H new ATOM 0 HA ASP A 50 2.613 15.694 -7.340 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.881 13.995 -6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.756 13.398 -7.454 1.00 0.00 H new ATOM 783 N PRO A 51 0.924 14.293 -6.126 1.00 0.00 N ATOM 784 CA PRO A 51 -0.083 13.523 -5.415 1.00 0.00 C ATOM 785 C PRO A 51 0.130 12.022 -5.617 1.00 0.00 C ATOM 786 O PRO A 51 -0.407 11.208 -4.867 1.00 0.00 O ATOM 787 CB PRO A 51 -1.413 14.013 -5.965 1.00 0.00 C ATOM 788 CG PRO A 51 -1.092 14.698 -7.284 1.00 0.00 C ATOM 789 CD PRO A 51 0.411 14.922 -7.339 1.00 0.00 C ATOM 0 HA PRO A 51 -0.036 13.665 -4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.104 13.183 -6.114 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.891 14.705 -5.272 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.417 14.083 -8.123 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.623 15.647 -7.360 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.846 14.473 -8.232 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.652 15.985 -7.367 1.00 0.00 H new ATOM 797 N SER A 52 0.916 11.700 -6.634 1.00 0.00 N ATOM 798 CA SER A 52 1.208 10.311 -6.944 1.00 0.00 C ATOM 799 C SER A 52 2.267 9.770 -5.981 1.00 0.00 C ATOM 800 O SER A 52 2.223 8.604 -5.595 1.00 0.00 O ATOM 801 CB SER A 52 1.678 10.156 -8.392 1.00 0.00 C ATOM 802 OG SER A 52 1.413 8.853 -8.903 1.00 0.00 O ATOM 0 H SER A 52 1.360 12.378 -7.254 1.00 0.00 H new ATOM 0 HA SER A 52 0.290 9.735 -6.825 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.180 10.898 -9.016 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.748 10.357 -8.449 1.00 0.00 H new ATOM 0 HG SER A 52 1.726 8.795 -9.830 1.00 0.00 H new ATOM 808 N PHE A 53 3.195 10.645 -5.622 1.00 0.00 N ATOM 809 CA PHE A 53 4.264 10.271 -4.712 1.00 0.00 C ATOM 810 C PHE A 53 3.903 10.624 -3.267 1.00 0.00 C ATOM 811 O PHE A 53 2.922 11.325 -3.022 1.00 0.00 O ATOM 812 CB PHE A 53 5.503 11.067 -5.125 1.00 0.00 C ATOM 813 CG PHE A 53 6.470 10.292 -6.022 1.00 0.00 C ATOM 814 CD1 PHE A 53 7.223 9.286 -5.501 1.00 0.00 C ATOM 815 CD2 PHE A 53 6.578 10.610 -7.340 1.00 0.00 C ATOM 816 CE1 PHE A 53 8.120 8.567 -6.334 1.00 0.00 C ATOM 817 CE2 PHE A 53 7.476 9.891 -8.172 1.00 0.00 C ATOM 818 CZ PHE A 53 8.228 8.884 -7.652 1.00 0.00 C ATOM 0 H PHE A 53 3.229 11.612 -5.945 1.00 0.00 H new ATOM 0 HA PHE A 53 4.436 9.196 -4.763 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.185 11.970 -5.646 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.033 11.386 -4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.138 9.034 -4.454 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.981 11.409 -7.754 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.717 7.768 -5.921 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.562 10.144 -9.218 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.910 8.337 -8.285 1.00 0.00 H new ATOM 828 N PHE A 54 4.716 10.123 -2.349 1.00 0.00 N ATOM 829 CA PHE A 54 4.495 10.377 -0.935 1.00 0.00 C ATOM 830 C PHE A 54 5.802 10.270 -0.148 1.00 0.00 C ATOM 831 O PHE A 54 6.680 9.483 -0.499 1.00 0.00 O ATOM 832 CB PHE A 54 3.522 9.307 -0.435 1.00 0.00 C ATOM 833 CG PHE A 54 3.898 7.883 -0.849 1.00 0.00 C ATOM 834 CD1 PHE A 54 4.972 7.271 -0.282 1.00 0.00 C ATOM 835 CD2 PHE A 54 3.157 7.229 -1.784 1.00 0.00 C ATOM 836 CE1 PHE A 54 5.320 5.949 -0.666 1.00 0.00 C ATOM 837 CE2 PHE A 54 3.506 5.907 -2.168 1.00 0.00 C ATOM 838 CZ PHE A 54 4.580 5.295 -1.601 1.00 0.00 C ATOM 0 H PHE A 54 5.529 9.543 -2.556 1.00 0.00 H new ATOM 0 HA PHE A 54 4.100 11.383 -0.795 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.471 9.357 0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.524 9.533 -0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.560 7.790 0.460 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.304 7.715 -2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.173 5.463 -0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.918 5.388 -2.910 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.845 4.290 -1.893 1.00 0.00 H new ATOM 848 N ASN A 55 5.890 11.072 0.903 1.00 0.00 N ATOM 849 CA ASN A 55 7.076 11.077 1.744 1.00 0.00 C ATOM 850 C ASN A 55 7.087 9.816 2.609 1.00 0.00 C ATOM 851 O ASN A 55 6.033 9.262 2.919 1.00 0.00 O ATOM 852 CB ASN A 55 7.085 12.290 2.675 1.00 0.00 C ATOM 853 CG ASN A 55 7.449 13.565 1.912 1.00 0.00 C ATOM 854 OD1 ASN A 55 8.542 13.718 1.393 1.00 0.00 O ATOM 855 ND2 ASN A 55 6.473 14.469 1.872 1.00 0.00 N ATOM 0 H ASN A 55 5.160 11.723 1.192 1.00 0.00 H new ATOM 0 HA ASN A 55 7.951 11.115 1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.104 12.406 3.137 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.800 12.128 3.482 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.617 15.354 1.385 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.581 14.277 2.328 1.00 0.00 H new ATOM 862 N CYS A 56 8.290 9.398 2.976 1.00 0.00 N ATOM 863 CA CYS A 56 8.452 8.213 3.800 1.00 0.00 C ATOM 864 C CYS A 56 8.480 8.647 5.267 1.00 0.00 C ATOM 865 O CYS A 56 8.898 9.761 5.580 1.00 0.00 O ATOM 866 CB CYS A 56 9.705 7.423 3.415 1.00 0.00 C ATOM 867 SG CYS A 56 11.205 8.354 3.896 1.00 0.00 S ATOM 0 H CYS A 56 9.162 9.860 2.717 1.00 0.00 H new ATOM 0 HA CYS A 56 7.612 7.538 3.638 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.697 6.451 3.907 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.712 7.237 2.341 1.00 0.00 H new ATOM 0 HG CYS A 56 11.424 9.300 3.032 1.00 0.00 H new ATOM 873 N ASP A 57 8.031 7.745 6.127 1.00 0.00 N ATOM 874 CA ASP A 57 7.999 8.022 7.553 1.00 0.00 C ATOM 875 C ASP A 57 9.252 7.437 8.209 1.00 0.00 C ATOM 876 O ASP A 57 9.939 8.124 8.963 1.00 0.00 O ATOM 877 CB ASP A 57 6.777 7.379 8.211 1.00 0.00 C ATOM 878 CG ASP A 57 5.784 8.364 8.832 1.00 0.00 C ATOM 879 OD1 ASP A 57 6.026 9.582 8.686 1.00 0.00 O ATOM 880 OD2 ASP A 57 4.806 7.877 9.440 1.00 0.00 O ATOM 0 H ASP A 57 7.686 6.822 5.864 1.00 0.00 H new ATOM 0 HA ASP A 57 7.954 9.103 7.686 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.254 6.781 7.465 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.119 6.694 8.986 1.00 0.00 H new ATOM 885 N ALA A 58 9.510 6.176 7.898 1.00 0.00 N ATOM 886 CA ALA A 58 10.668 5.491 8.448 1.00 0.00 C ATOM 887 C ALA A 58 10.493 3.981 8.273 1.00 0.00 C ATOM 888 O ALA A 58 11.474 3.249 8.151 1.00 0.00 O ATOM 889 CB ALA A 58 10.849 5.891 9.913 1.00 0.00 C ATOM 0 H ALA A 58 8.937 5.610 7.272 1.00 0.00 H new ATOM 0 HA ALA A 58 11.574 5.781 7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.717 5.377 10.326 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.999 6.969 9.980 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.960 5.612 10.479 1.00 0.00 H new ATOM 895 N ALA A 59 9.236 3.560 8.266 1.00 0.00 N ATOM 896 CA ALA A 59 8.920 2.151 8.108 1.00 0.00 C ATOM 897 C ALA A 59 8.698 1.846 6.625 1.00 0.00 C ATOM 898 O ALA A 59 8.803 0.695 6.202 1.00 0.00 O ATOM 899 CB ALA A 59 7.701 1.802 8.964 1.00 0.00 C ATOM 0 H ALA A 59 8.425 4.170 8.367 1.00 0.00 H new ATOM 0 HA ALA A 59 9.748 1.531 8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.464 0.745 8.845 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.920 2.009 10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.849 2.403 8.646 1.00 0.00 H new ATOM 905 N LEU A 60 8.396 2.896 5.876 1.00 0.00 N ATOM 906 CA LEU A 60 8.158 2.754 4.450 1.00 0.00 C ATOM 907 C LEU A 60 9.494 2.549 3.732 1.00 0.00 C ATOM 908 O LEU A 60 9.539 1.958 2.655 1.00 0.00 O ATOM 909 CB LEU A 60 7.352 3.942 3.921 1.00 0.00 C ATOM 910 CG LEU A 60 5.830 3.812 4.007 1.00 0.00 C ATOM 911 CD1 LEU A 60 5.149 5.159 3.758 1.00 0.00 C ATOM 912 CD2 LEU A 60 5.318 2.726 3.058 1.00 0.00 C ATOM 0 H LEU A 60 8.311 3.849 6.230 1.00 0.00 H new ATOM 0 HA LEU A 60 7.550 1.871 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.652 4.833 4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.624 4.105 2.878 1.00 0.00 H new ATOM 0 HG LEU A 60 5.570 3.503 5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.068 5.038 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.481 5.878 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.413 5.522 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.233 2.654 3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.590 2.981 2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.766 1.769 3.325 1.00 0.00 H new ATOM 924 N GLN A 61 10.549 3.050 4.359 1.00 0.00 N ATOM 925 CA GLN A 61 11.882 2.929 3.794 1.00 0.00 C ATOM 926 C GLN A 61 12.329 1.466 3.797 1.00 0.00 C ATOM 927 O GLN A 61 12.503 0.863 2.739 1.00 0.00 O ATOM 928 CB GLN A 61 12.880 3.809 4.550 1.00 0.00 C ATOM 929 CG GLN A 61 13.226 5.062 3.743 1.00 0.00 C ATOM 930 CD GLN A 61 14.691 5.044 3.304 1.00 0.00 C ATOM 931 OE1 GLN A 61 15.474 4.195 3.699 1.00 0.00 O ATOM 932 NE2 GLN A 61 15.018 6.025 2.467 1.00 0.00 N ATOM 0 H GLN A 61 10.507 3.540 5.252 1.00 0.00 H new ATOM 0 HA GLN A 61 11.851 3.277 2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.459 4.097 5.513 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.788 3.242 4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.581 5.124 2.867 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.034 5.951 4.344 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.314 6.703 2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.973 6.099 2.116 1.00 0.00 H new ATOM 941 N LYS A 62 12.502 0.936 4.999 1.00 0.00 N ATOM 942 CA LYS A 62 12.926 -0.446 5.154 1.00 0.00 C ATOM 943 C LYS A 62 12.220 -1.311 4.109 1.00 0.00 C ATOM 944 O LYS A 62 12.768 -2.316 3.658 1.00 0.00 O ATOM 945 CB LYS A 62 12.704 -0.916 6.593 1.00 0.00 C ATOM 946 CG LYS A 62 14.030 -1.007 7.351 1.00 0.00 C ATOM 947 CD LYS A 62 14.507 -2.458 7.448 1.00 0.00 C ATOM 948 CE LYS A 62 13.598 -3.274 8.369 1.00 0.00 C ATOM 949 NZ LYS A 62 14.389 -3.919 9.440 1.00 0.00 N ATOM 0 H LYS A 62 12.356 1.438 5.875 1.00 0.00 H new ATOM 0 HA LYS A 62 13.997 -0.539 4.974 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.035 -0.225 7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.215 -1.890 6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.785 -0.405 6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.910 -0.592 8.352 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.521 -2.907 6.455 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.530 -2.484 7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.840 -2.626 8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.071 -4.033 7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.756 -4.469 10.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.096 -4.553 9.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.872 -3.189 10.002 1.00 0.00 H new ATOM 963 N VAL A 63 11.016 -0.890 3.753 1.00 0.00 N ATOM 964 CA VAL A 63 10.230 -1.614 2.769 1.00 0.00 C ATOM 965 C VAL A 63 10.806 -1.360 1.375 1.00 0.00 C ATOM 966 O VAL A 63 11.342 -2.270 0.745 1.00 0.00 O ATOM 967 CB VAL A 63 8.755 -1.223 2.886 1.00 0.00 C ATOM 968 CG1 VAL A 63 7.926 -1.868 1.774 1.00 0.00 C ATOM 969 CG2 VAL A 63 8.200 -1.587 4.265 1.00 0.00 C ATOM 0 H VAL A 63 10.565 -0.056 4.129 1.00 0.00 H new ATOM 0 HA VAL A 63 10.284 -2.687 2.953 1.00 0.00 H new ATOM 0 HB VAL A 63 8.685 -0.141 2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.882 -1.574 1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.299 -1.538 0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.006 -2.953 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.150 -1.299 4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.290 -2.662 4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.764 -1.060 5.035 1.00 0.00 H new ATOM 979 N PHE A 64 10.676 -0.117 0.933 1.00 0.00 N ATOM 980 CA PHE A 64 11.177 0.269 -0.375 1.00 0.00 C ATOM 981 C PHE A 64 12.665 0.619 -0.311 1.00 0.00 C ATOM 982 O PHE A 64 13.494 -0.065 -0.909 1.00 0.00 O ATOM 983 CB PHE A 64 10.392 1.508 -0.807 1.00 0.00 C ATOM 984 CG PHE A 64 8.875 1.311 -0.820 1.00 0.00 C ATOM 985 CD1 PHE A 64 8.305 0.478 -1.733 1.00 0.00 C ATOM 986 CD2 PHE A 64 8.096 1.967 0.081 1.00 0.00 C ATOM 987 CE1 PHE A 64 6.897 0.295 -1.744 1.00 0.00 C ATOM 988 CE2 PHE A 64 6.688 1.784 0.069 1.00 0.00 C ATOM 989 CZ PHE A 64 6.118 0.952 -0.843 1.00 0.00 C ATOM 0 H PHE A 64 10.231 0.636 1.458 1.00 0.00 H new ATOM 0 HA PHE A 64 11.055 -0.555 -1.078 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.635 2.332 -0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.718 1.803 -1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.923 -0.043 -2.449 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.548 2.627 0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.444 -0.366 -2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.070 2.306 0.784 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.047 0.813 -0.852 1.00 0.00 H new ATOM 999 N GLY A 65 12.959 1.684 0.421 1.00 0.00 N ATOM 1000 CA GLY A 65 14.332 2.133 0.572 1.00 0.00 C ATOM 1001 C GLY A 65 14.531 3.512 -0.061 1.00 0.00 C ATOM 1002 O GLY A 65 15.653 4.009 -0.136 1.00 0.00 O ATOM 0 H GLY A 65 12.269 2.249 0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.591 2.174 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 65 15.007 1.414 0.106 1.00 0.00 H new ATOM 1006 N GLU A 66 13.423 4.091 -0.501 1.00 0.00 N ATOM 1007 CA GLU A 66 13.461 5.402 -1.125 1.00 0.00 C ATOM 1008 C GLU A 66 12.720 6.424 -0.260 1.00 0.00 C ATOM 1009 O GLU A 66 11.663 6.124 0.292 1.00 0.00 O ATOM 1010 CB GLU A 66 12.876 5.354 -2.538 1.00 0.00 C ATOM 1011 CG GLU A 66 13.648 4.369 -3.418 1.00 0.00 C ATOM 1012 CD GLU A 66 13.873 4.944 -4.818 1.00 0.00 C ATOM 1013 OE1 GLU A 66 12.858 5.303 -5.454 1.00 0.00 O ATOM 1014 OE2 GLU A 66 15.054 5.013 -5.221 1.00 0.00 O ATOM 0 H GLU A 66 12.494 3.676 -0.437 1.00 0.00 H new ATOM 0 HA GLU A 66 14.503 5.713 -1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.827 5.061 -2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.909 6.348 -2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.608 4.139 -2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.097 3.431 -3.490 1.00 0.00 H new ATOM 1021 N GLU A 67 13.305 7.609 -0.168 1.00 0.00 N ATOM 1022 CA GLU A 67 12.714 8.676 0.621 1.00 0.00 C ATOM 1023 C GLU A 67 11.217 8.789 0.324 1.00 0.00 C ATOM 1024 O GLU A 67 10.415 9.001 1.232 1.00 0.00 O ATOM 1025 CB GLU A 67 13.425 10.006 0.365 1.00 0.00 C ATOM 1026 CG GLU A 67 13.239 10.457 -1.086 1.00 0.00 C ATOM 1027 CD GLU A 67 14.127 11.663 -1.403 1.00 0.00 C ATOM 1028 OE1 GLU A 67 13.983 12.677 -0.687 1.00 0.00 O ATOM 1029 OE2 GLU A 67 14.929 11.542 -2.354 1.00 0.00 O ATOM 0 H GLU A 67 14.182 7.854 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 67 12.838 8.432 1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.033 10.768 1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.488 9.902 0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.481 9.635 -1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.194 10.714 -1.260 1.00 0.00 H new ATOM 1036 N LYS A 68 10.886 8.642 -0.951 1.00 0.00 N ATOM 1037 CA LYS A 68 9.500 8.725 -1.379 1.00 0.00 C ATOM 1038 C LYS A 68 9.243 7.681 -2.467 1.00 0.00 C ATOM 1039 O LYS A 68 10.182 7.173 -3.079 1.00 0.00 O ATOM 1040 CB LYS A 68 9.155 10.154 -1.804 1.00 0.00 C ATOM 1041 CG LYS A 68 9.952 10.564 -3.045 1.00 0.00 C ATOM 1042 CD LYS A 68 9.117 11.463 -3.959 1.00 0.00 C ATOM 1043 CE LYS A 68 9.502 11.260 -5.426 1.00 0.00 C ATOM 1044 NZ LYS A 68 10.600 12.176 -5.806 1.00 0.00 N ATOM 0 H LYS A 68 11.554 8.466 -1.701 1.00 0.00 H new ATOM 0 HA LYS A 68 8.831 8.493 -0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.088 10.228 -2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.369 10.842 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.859 11.088 -2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.265 9.674 -3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.058 11.243 -3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.264 12.507 -3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.810 10.227 -5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.636 11.437 -6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.848 12.025 -6.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.293 13.161 -5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.431 11.988 -5.210 1.00 0.00 H new ATOM 1058 N LEU A 69 7.968 7.391 -2.675 1.00 0.00 N ATOM 1059 CA LEU A 69 7.576 6.416 -3.678 1.00 0.00 C ATOM 1060 C LEU A 69 6.228 6.821 -4.278 1.00 0.00 C ATOM 1061 O LEU A 69 5.515 7.647 -3.710 1.00 0.00 O ATOM 1062 CB LEU A 69 7.586 5.005 -3.087 1.00 0.00 C ATOM 1063 CG LEU A 69 8.219 3.918 -3.958 1.00 0.00 C ATOM 1064 CD1 LEU A 69 9.238 3.100 -3.161 1.00 0.00 C ATOM 1065 CD2 LEU A 69 7.147 3.032 -4.596 1.00 0.00 C ATOM 0 H LEU A 69 7.192 7.814 -2.166 1.00 0.00 H new ATOM 0 HA LEU A 69 8.297 6.400 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.116 5.035 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.558 4.716 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 69 8.760 4.404 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.673 2.335 -3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.027 3.758 -2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.741 2.624 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.624 2.268 -5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.558 2.553 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.494 3.643 -5.220 1.00 0.00 H new ATOM 1077 N LYS A 70 5.919 6.221 -5.418 1.00 0.00 N ATOM 1078 CA LYS A 70 4.669 6.509 -6.101 1.00 0.00 C ATOM 1079 C LYS A 70 3.548 5.675 -5.478 1.00 0.00 C ATOM 1080 O LYS A 70 3.812 4.684 -4.798 1.00 0.00 O ATOM 1081 CB LYS A 70 4.823 6.304 -7.609 1.00 0.00 C ATOM 1082 CG LYS A 70 6.098 6.973 -8.126 1.00 0.00 C ATOM 1083 CD LYS A 70 6.282 6.719 -9.624 1.00 0.00 C ATOM 1084 CE LYS A 70 6.112 8.012 -10.424 1.00 0.00 C ATOM 1085 NZ LYS A 70 5.233 7.786 -11.593 1.00 0.00 N ATOM 0 H LYS A 70 6.513 5.536 -5.886 1.00 0.00 H new ATOM 0 HA LYS A 70 4.397 7.556 -5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.851 5.238 -7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.956 6.716 -8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.052 8.046 -7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.961 6.591 -7.580 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.272 6.302 -9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.557 5.979 -9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.687 8.788 -9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.086 8.371 -10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.128 8.673 -12.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.654 7.061 -12.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.299 7.465 -11.268 1.00 0.00 H new ATOM 1099 N PHE A 71 2.321 6.106 -5.732 1.00 0.00 N ATOM 1100 CA PHE A 71 1.160 5.410 -5.204 1.00 0.00 C ATOM 1101 C PHE A 71 0.782 4.223 -6.092 1.00 0.00 C ATOM 1102 O PHE A 71 0.013 3.355 -5.680 1.00 0.00 O ATOM 1103 CB PHE A 71 0.004 6.413 -5.196 1.00 0.00 C ATOM 1104 CG PHE A 71 -0.087 7.247 -3.916 1.00 0.00 C ATOM 1105 CD1 PHE A 71 -0.282 6.635 -2.718 1.00 0.00 C ATOM 1106 CD2 PHE A 71 0.028 8.601 -3.978 1.00 0.00 C ATOM 1107 CE1 PHE A 71 -0.366 7.409 -1.530 1.00 0.00 C ATOM 1108 CE2 PHE A 71 -0.056 9.375 -2.790 1.00 0.00 C ATOM 1109 CZ PHE A 71 -0.251 8.763 -1.592 1.00 0.00 C ATOM 0 H PHE A 71 2.106 6.928 -6.296 1.00 0.00 H new ATOM 0 HA PHE A 71 1.376 5.029 -4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.113 7.084 -6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.933 5.873 -5.333 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.373 5.560 -2.669 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.183 9.087 -4.930 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.521 6.923 -0.578 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.035 10.450 -2.839 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.315 9.352 -0.689 1.00 0.00 H new ATOM 1119 N THR A 72 1.340 4.222 -7.293 1.00 0.00 N ATOM 1120 CA THR A 72 1.071 3.155 -8.242 1.00 0.00 C ATOM 1121 C THR A 72 2.228 2.153 -8.261 1.00 0.00 C ATOM 1122 O THR A 72 2.014 0.956 -8.441 1.00 0.00 O ATOM 1123 CB THR A 72 0.798 3.792 -9.606 1.00 0.00 C ATOM 1124 OG1 THR A 72 2.095 4.100 -10.112 1.00 0.00 O ATOM 1125 CG2 THR A 72 0.111 5.155 -9.488 1.00 0.00 C ATOM 0 H THR A 72 1.977 4.943 -7.631 1.00 0.00 H new ATOM 0 HA THR A 72 0.190 2.582 -7.952 1.00 0.00 H new ATOM 0 HB THR A 72 0.178 3.122 -10.202 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.011 4.515 -10.996 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.060 5.564 -10.484 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.844 5.038 -8.975 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.747 5.835 -8.921 1.00 0.00 H new ATOM 1133 N MET A 73 3.429 2.681 -8.071 1.00 0.00 N ATOM 1134 CA MET A 73 4.619 1.849 -8.063 1.00 0.00 C ATOM 1135 C MET A 73 4.593 0.864 -6.892 1.00 0.00 C ATOM 1136 O MET A 73 5.214 -0.196 -6.954 1.00 0.00 O ATOM 1137 CB MET A 73 5.862 2.735 -7.957 1.00 0.00 C ATOM 1138 CG MET A 73 6.012 3.619 -9.197 1.00 0.00 C ATOM 1139 SD MET A 73 6.651 2.658 -10.559 1.00 0.00 S ATOM 1140 CE MET A 73 8.402 2.813 -10.252 1.00 0.00 C ATOM 0 H MET A 73 3.603 3.675 -7.921 1.00 0.00 H new ATOM 0 HA MET A 73 4.646 1.279 -8.992 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.793 3.360 -7.067 1.00 0.00 H new ATOM 0 HB3 MET A 73 6.749 2.112 -7.841 1.00 0.00 H new ATOM 0 HG2 MET A 73 5.047 4.049 -9.466 1.00 0.00 H new ATOM 0 HG3 MET A 73 6.683 4.451 -8.982 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.931 1.993 -10.738 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.759 3.762 -10.652 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.588 2.779 -9.178 1.00 0.00 H new ATOM 1150 N VAL A 74 3.867 1.250 -5.853 1.00 0.00 N ATOM 1151 CA VAL A 74 3.751 0.415 -4.670 1.00 0.00 C ATOM 1152 C VAL A 74 3.378 -1.008 -5.090 1.00 0.00 C ATOM 1153 O VAL A 74 3.784 -1.975 -4.447 1.00 0.00 O ATOM 1154 CB VAL A 74 2.750 1.031 -3.690 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.483 0.089 -2.515 1.00 0.00 C ATOM 1156 CG2 VAL A 74 3.234 2.397 -3.199 1.00 0.00 C ATOM 0 H VAL A 74 3.353 2.130 -5.806 1.00 0.00 H new ATOM 0 HA VAL A 74 4.706 0.360 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 74 1.809 1.180 -4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.768 0.551 -1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.074 -0.850 -2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.416 -0.106 -1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.505 2.813 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.193 2.283 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.350 3.069 -4.049 1.00 0.00 H new ATOM 1166 N SER A 75 2.610 -1.091 -6.166 1.00 0.00 N ATOM 1167 CA SER A 75 2.177 -2.380 -6.679 1.00 0.00 C ATOM 1168 C SER A 75 3.390 -3.198 -7.129 1.00 0.00 C ATOM 1169 O SER A 75 3.516 -4.370 -6.779 1.00 0.00 O ATOM 1170 CB SER A 75 1.194 -2.209 -7.839 1.00 0.00 C ATOM 1171 OG SER A 75 1.772 -1.498 -8.929 1.00 0.00 O ATOM 0 H SER A 75 2.276 -0.287 -6.697 1.00 0.00 H new ATOM 0 HA SER A 75 1.664 -2.912 -5.878 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.863 -3.190 -8.181 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.309 -1.678 -7.489 1.00 0.00 H new ATOM 0 HG SER A 75 1.645 -0.535 -8.796 1.00 0.00 H new ATOM 1177 N GLN A 76 4.251 -2.547 -7.897 1.00 0.00 N ATOM 1178 CA GLN A 76 5.449 -3.199 -8.398 1.00 0.00 C ATOM 1179 C GLN A 76 6.611 -2.995 -7.424 1.00 0.00 C ATOM 1180 O GLN A 76 7.769 -2.942 -7.836 1.00 0.00 O ATOM 1181 CB GLN A 76 5.808 -2.689 -9.794 1.00 0.00 C ATOM 1182 CG GLN A 76 6.171 -1.203 -9.759 1.00 0.00 C ATOM 1183 CD GLN A 76 7.074 -0.831 -10.937 1.00 0.00 C ATOM 1184 OE1 GLN A 76 8.285 -0.962 -10.890 1.00 0.00 O ATOM 1185 NE2 GLN A 76 6.417 -0.360 -11.994 1.00 0.00 N ATOM 0 H GLN A 76 4.143 -1.574 -8.185 1.00 0.00 H new ATOM 0 HA GLN A 76 5.251 -4.268 -8.478 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.646 -3.262 -10.190 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.967 -2.846 -10.470 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.262 -0.602 -9.789 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.676 -0.970 -8.821 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.401 -0.276 -11.967 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.930 -0.083 -12.831 1.00 0.00 H new ATOM 1194 N LYS A 77 6.262 -2.885 -6.150 1.00 0.00 N ATOM 1195 CA LYS A 77 7.262 -2.687 -5.114 1.00 0.00 C ATOM 1196 C LYS A 77 6.940 -3.590 -3.922 1.00 0.00 C ATOM 1197 O LYS A 77 7.820 -4.275 -3.402 1.00 0.00 O ATOM 1198 CB LYS A 77 7.371 -1.205 -4.751 1.00 0.00 C ATOM 1199 CG LYS A 77 7.853 -0.381 -5.947 1.00 0.00 C ATOM 1200 CD LYS A 77 9.304 0.065 -5.757 1.00 0.00 C ATOM 1201 CE LYS A 77 9.597 1.333 -6.562 1.00 0.00 C ATOM 1202 NZ LYS A 77 11.052 1.606 -6.586 1.00 0.00 N ATOM 0 H LYS A 77 5.301 -2.929 -5.812 1.00 0.00 H new ATOM 0 HA LYS A 77 8.249 -2.976 -5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.401 -0.836 -4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.062 -1.081 -3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.767 -0.972 -6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.214 0.493 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.497 0.248 -4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.978 -0.733 -6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.225 1.219 -7.580 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.069 2.180 -6.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.234 2.470 -7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.397 1.736 -5.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.548 0.805 -7.025 1.00 0.00 H new ATOM 1216 N ILE A 78 5.677 -3.563 -3.524 1.00 0.00 N ATOM 1217 CA ILE A 78 5.228 -4.371 -2.402 1.00 0.00 C ATOM 1218 C ILE A 78 5.288 -5.850 -2.789 1.00 0.00 C ATOM 1219 O ILE A 78 5.552 -6.705 -1.946 1.00 0.00 O ATOM 1220 CB ILE A 78 3.846 -3.913 -1.931 1.00 0.00 C ATOM 1221 CG1 ILE A 78 2.802 -4.100 -3.034 1.00 0.00 C ATOM 1222 CG2 ILE A 78 3.890 -2.471 -1.421 1.00 0.00 C ATOM 1223 CD1 ILE A 78 1.892 -5.292 -2.731 1.00 0.00 C ATOM 0 H ILE A 78 4.950 -2.994 -3.958 1.00 0.00 H new ATOM 0 HA ILE A 78 5.890 -4.238 -1.547 1.00 0.00 H new ATOM 0 HB ILE A 78 3.545 -4.541 -1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.202 -3.195 -3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.302 -4.253 -3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.895 -2.171 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.585 -2.402 -0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.222 -1.811 -2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.159 -5.403 -3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.492 -6.199 -2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.375 -5.124 -1.786 1.00 0.00 H new ATOM 1235 N SER A 79 5.037 -6.106 -4.065 1.00 0.00 N ATOM 1236 CA SER A 79 5.058 -7.466 -4.573 1.00 0.00 C ATOM 1237 C SER A 79 6.287 -8.205 -4.039 1.00 0.00 C ATOM 1238 O SER A 79 6.167 -9.298 -3.487 1.00 0.00 O ATOM 1239 CB SER A 79 5.053 -7.483 -6.103 1.00 0.00 C ATOM 1240 OG SER A 79 6.331 -7.161 -6.645 1.00 0.00 O ATOM 0 H SER A 79 4.818 -5.394 -4.762 1.00 0.00 H new ATOM 0 HA SER A 79 4.157 -7.974 -4.228 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.749 -8.469 -6.454 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.314 -6.772 -6.471 1.00 0.00 H new ATOM 0 HG SER A 79 6.287 -7.184 -7.624 1.00 0.00 H new ATOM 1246 N HIS A 80 7.440 -7.579 -4.221 1.00 0.00 N ATOM 1247 CA HIS A 80 8.689 -8.164 -3.764 1.00 0.00 C ATOM 1248 C HIS A 80 8.542 -8.619 -2.311 1.00 0.00 C ATOM 1249 O HIS A 80 9.110 -9.635 -1.914 1.00 0.00 O ATOM 1250 CB HIS A 80 9.851 -7.189 -3.965 1.00 0.00 C ATOM 1251 CG HIS A 80 11.215 -7.819 -3.813 1.00 0.00 C ATOM 1252 ND1 HIS A 80 12.125 -7.414 -2.851 1.00 0.00 N ATOM 1253 CD2 HIS A 80 11.813 -8.828 -4.508 1.00 0.00 C ATOM 1254 CE1 HIS A 80 13.218 -8.152 -2.973 1.00 0.00 C ATOM 1255 NE2 HIS A 80 13.023 -9.028 -4.000 1.00 0.00 N ATOM 0 H HIS A 80 7.536 -6.672 -4.679 1.00 0.00 H new ATOM 0 HA HIS A 80 8.922 -9.045 -4.362 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.774 -6.749 -4.959 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.756 -6.374 -3.247 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.376 -9.372 -5.332 1.00 0.00 H new ATOM 0 HE1 HIS A 80 14.108 -8.074 -2.366 1.00 0.00 H new ATOM 0 HE2 HIS A 80 13.696 -9.722 -4.324 1.00 0.00 H new ATOM 1263 N HIS A 81 7.776 -7.844 -1.557 1.00 0.00 N ATOM 1264 CA HIS A 81 7.547 -8.154 -0.156 1.00 0.00 C ATOM 1265 C HIS A 81 6.448 -9.212 -0.038 1.00 0.00 C ATOM 1266 O HIS A 81 6.494 -10.064 0.848 1.00 0.00 O ATOM 1267 CB HIS A 81 7.235 -6.884 0.638 1.00 0.00 C ATOM 1268 CG HIS A 81 8.365 -5.883 0.665 1.00 0.00 C ATOM 1269 ND1 HIS A 81 9.522 -6.078 1.399 1.00 0.00 N ATOM 1270 CD2 HIS A 81 8.505 -4.679 0.039 1.00 0.00 C ATOM 1271 CE1 HIS A 81 10.314 -5.032 1.218 1.00 0.00 C ATOM 1272 NE2 HIS A 81 9.682 -4.165 0.375 1.00 0.00 N ATOM 0 H HIS A 81 7.306 -7.002 -1.890 1.00 0.00 H new ATOM 0 HA HIS A 81 8.454 -8.572 0.281 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.352 -6.408 0.211 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.984 -7.161 1.662 1.00 0.00 H new ATOM 0 HD2 HIS A 81 7.781 -4.221 -0.619 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.289 -4.890 1.660 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.053 -3.270 0.056 1.00 0.00 H new ATOM 1280 N LEU A 82 5.485 -9.123 -0.944 1.00 0.00 N ATOM 1281 CA LEU A 82 4.376 -10.061 -0.953 1.00 0.00 C ATOM 1282 C LEU A 82 4.922 -11.488 -1.032 1.00 0.00 C ATOM 1283 O LEU A 82 5.733 -11.799 -1.903 1.00 0.00 O ATOM 1284 CB LEU A 82 3.391 -9.717 -2.072 1.00 0.00 C ATOM 1285 CG LEU A 82 2.784 -8.313 -2.022 1.00 0.00 C ATOM 1286 CD1 LEU A 82 1.675 -8.158 -3.065 1.00 0.00 C ATOM 1287 CD2 LEU A 82 2.295 -7.977 -0.612 1.00 0.00 C ATOM 0 H LEU A 82 5.450 -8.415 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 82 3.807 -9.987 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.901 -9.837 -3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.579 -10.444 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 82 3.564 -7.594 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.260 -7.152 -3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.086 -8.326 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.888 -8.886 -2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.868 -6.974 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.535 -8.697 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.133 -8.020 0.084 1.00 0.00 H new ATOM 1299 N SER A 83 4.456 -12.318 -0.110 1.00 0.00 N ATOM 1300 CA SER A 83 4.888 -13.705 -0.065 1.00 0.00 C ATOM 1301 C SER A 83 3.743 -14.594 0.425 1.00 0.00 C ATOM 1302 O SER A 83 2.749 -14.097 0.953 1.00 0.00 O ATOM 1303 CB SER A 83 6.112 -13.872 0.837 1.00 0.00 C ATOM 1304 OG SER A 83 7.322 -13.941 0.087 1.00 0.00 O ATOM 0 H SER A 83 3.784 -12.057 0.611 1.00 0.00 H new ATOM 0 HA SER A 83 5.169 -14.008 -1.073 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.165 -13.036 1.535 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.002 -14.778 1.433 1.00 0.00 H new ATOM 0 HG SER A 83 8.080 -14.046 0.699 1.00 0.00 H new ATOM 1310 N PRO A 84 3.925 -15.927 0.227 1.00 0.00 N ATOM 1311 CA PRO A 84 2.919 -16.889 0.642 1.00 0.00 C ATOM 1312 C PRO A 84 2.934 -17.078 2.161 1.00 0.00 C ATOM 1313 O PRO A 84 3.999 -17.100 2.776 1.00 0.00 O ATOM 1314 CB PRO A 84 3.254 -18.162 -0.117 1.00 0.00 C ATOM 1315 CG PRO A 84 4.697 -18.009 -0.570 1.00 0.00 C ATOM 1316 CD PRO A 84 5.088 -16.551 -0.396 1.00 0.00 C ATOM 0 HA PRO A 84 1.905 -16.561 0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.135 -19.039 0.519 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.589 -18.295 -0.970 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.352 -18.653 0.018 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.804 -18.311 -1.612 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.974 -16.451 0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.321 -16.086 -1.354 1.00 0.00 H new ATOM 1324 N PRO A 85 1.709 -17.211 2.736 1.00 0.00 N ATOM 1325 CA PRO A 85 1.572 -17.397 4.171 1.00 0.00 C ATOM 1326 C PRO A 85 1.957 -18.820 4.579 1.00 0.00 C ATOM 1327 O PRO A 85 2.210 -19.668 3.724 1.00 0.00 O ATOM 1328 CB PRO A 85 0.120 -17.064 4.473 1.00 0.00 C ATOM 1329 CG PRO A 85 -0.614 -17.156 3.146 1.00 0.00 C ATOM 1330 CD PRO A 85 0.427 -17.189 2.039 1.00 0.00 C ATOM 0 HA PRO A 85 2.242 -16.756 4.744 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -0.298 -17.761 5.199 1.00 0.00 H new ATOM 0 HB3 PRO A 85 0.029 -16.066 4.901 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.234 -18.052 3.114 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.280 -16.303 3.018 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.305 -18.069 1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.344 -16.317 1.391 1.00 0.00 H new ATOM 1338 N PRO A 86 1.990 -19.045 5.920 1.00 0.00 N ATOM 1339 CA PRO A 86 2.340 -20.351 6.451 1.00 0.00 C ATOM 1340 C PRO A 86 1.186 -21.340 6.279 1.00 0.00 C ATOM 1341 O PRO A 86 0.102 -21.135 6.824 1.00 0.00 O ATOM 1342 CB PRO A 86 2.696 -20.100 7.908 1.00 0.00 C ATOM 1343 CG PRO A 86 2.089 -18.752 8.259 1.00 0.00 C ATOM 1344 CD PRO A 86 1.697 -18.064 6.961 1.00 0.00 C ATOM 0 HA PRO A 86 3.176 -20.810 5.924 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.297 -20.887 8.549 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.777 -20.091 8.050 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.217 -18.881 8.901 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.805 -18.144 8.812 1.00 0.00 H new ATOM 0 HD2 PRO A 86 0.642 -17.789 6.961 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.265 -17.146 6.812 1.00 0.00 H new ATOM 1352 N PRO A 87 1.464 -22.419 5.500 1.00 0.00 N ATOM 1353 CA PRO A 87 0.462 -23.440 5.250 1.00 0.00 C ATOM 1354 C PRO A 87 0.270 -24.333 6.478 1.00 0.00 C ATOM 1355 O PRO A 87 -0.860 -24.619 6.871 1.00 0.00 O ATOM 1356 CB PRO A 87 0.970 -24.201 4.036 1.00 0.00 C ATOM 1357 CG PRO A 87 2.453 -23.882 3.935 1.00 0.00 C ATOM 1358 CD PRO A 87 2.737 -22.694 4.839 1.00 0.00 C ATOM 0 HA PRO A 87 -0.526 -23.021 5.057 1.00 0.00 H new ATOM 0 HB2 PRO A 87 0.808 -25.273 4.151 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.442 -23.894 3.133 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.050 -24.743 4.237 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.725 -23.651 2.905 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.518 -22.925 5.564 1.00 0.00 H new ATOM 0 HD3 PRO A 87 3.080 -21.833 4.265 1.00 0.00 H new ATOM 1366 N SER A 88 1.391 -24.748 7.049 1.00 0.00 N ATOM 1367 CA SER A 88 1.361 -25.602 8.224 1.00 0.00 C ATOM 1368 C SER A 88 0.819 -26.984 7.852 1.00 0.00 C ATOM 1369 O SER A 88 -0.255 -27.376 8.305 1.00 0.00 O ATOM 1370 CB SER A 88 0.512 -24.981 9.335 1.00 0.00 C ATOM 1371 OG SER A 88 0.634 -25.694 10.562 1.00 0.00 O ATOM 0 H SER A 88 2.326 -24.509 6.720 1.00 0.00 H new ATOM 0 HA SER A 88 2.380 -25.706 8.597 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.815 -23.945 9.486 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.533 -24.966 9.027 1.00 0.00 H new ATOM 0 HG SER A 88 0.078 -25.265 11.246 1.00 0.00 H new ATOM 1377 N GLY A 89 1.588 -27.685 7.032 1.00 0.00 N ATOM 1378 CA GLY A 89 1.199 -29.015 6.594 1.00 0.00 C ATOM 1379 C GLY A 89 1.518 -29.219 5.112 1.00 0.00 C ATOM 1380 O GLY A 89 0.643 -29.070 4.259 1.00 0.00 O ATOM 0 H GLY A 89 2.479 -27.357 6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.721 -29.765 7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.132 -29.160 6.763 1.00 0.00 H new ATOM 1384 N PRO A 90 2.804 -29.566 4.842 1.00 0.00 N ATOM 1385 CA PRO A 90 3.249 -29.793 3.478 1.00 0.00 C ATOM 1386 C PRO A 90 2.740 -31.136 2.951 1.00 0.00 C ATOM 1387 O PRO A 90 2.035 -31.856 3.656 1.00 0.00 O ATOM 1388 CB PRO A 90 4.766 -29.716 3.540 1.00 0.00 C ATOM 1389 CG PRO A 90 5.133 -29.912 5.002 1.00 0.00 C ATOM 1390 CD PRO A 90 3.867 -29.752 5.826 1.00 0.00 C ATOM 0 HA PRO A 90 2.854 -29.055 2.779 1.00 0.00 H new ATOM 0 HB2 PRO A 90 5.222 -30.485 2.916 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.124 -28.754 3.173 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.567 -30.900 5.157 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.883 -29.182 5.308 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.684 -30.630 6.445 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.938 -28.897 6.499 1.00 0.00 H new ATOM 1398 N SER A 91 3.117 -31.432 1.716 1.00 0.00 N ATOM 1399 CA SER A 91 2.707 -32.676 1.086 1.00 0.00 C ATOM 1400 C SER A 91 1.182 -32.725 0.967 1.00 0.00 C ATOM 1401 O SER A 91 0.471 -32.399 1.916 1.00 0.00 O ATOM 1402 CB SER A 91 3.217 -33.885 1.873 1.00 0.00 C ATOM 1403 OG SER A 91 4.583 -34.171 1.586 1.00 0.00 O ATOM 0 H SER A 91 3.702 -30.832 1.134 1.00 0.00 H new ATOM 0 HA SER A 91 3.144 -32.715 0.088 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.102 -33.697 2.941 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.606 -34.756 1.635 1.00 0.00 H new ATOM 0 HG SER A 91 4.871 -34.948 2.109 1.00 0.00 H new ATOM 1409 N SER A 92 0.725 -33.135 -0.207 1.00 0.00 N ATOM 1410 CA SER A 92 -0.702 -33.231 -0.462 1.00 0.00 C ATOM 1411 C SER A 92 -1.134 -34.698 -0.475 1.00 0.00 C ATOM 1412 O SER A 92 -1.212 -35.317 -1.535 1.00 0.00 O ATOM 1413 CB SER A 92 -1.071 -32.557 -1.786 1.00 0.00 C ATOM 1414 OG SER A 92 -1.235 -31.150 -1.641 1.00 0.00 O ATOM 0 H SER A 92 1.318 -33.404 -0.992 1.00 0.00 H new ATOM 0 HA SER A 92 -1.228 -32.711 0.339 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.294 -32.757 -2.524 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.994 -32.992 -2.169 1.00 0.00 H new ATOM 0 HG SER A 92 -1.468 -30.757 -2.508 1.00 0.00 H new ATOM 1420 N GLY A 93 -1.403 -35.213 0.716 1.00 0.00 N ATOM 1421 CA GLY A 93 -1.825 -36.596 0.855 1.00 0.00 C ATOM 1422 C GLY A 93 -3.255 -36.682 1.393 1.00 0.00 C ATOM 1423 O GLY A 93 -3.545 -37.494 2.270 1.00 0.00 O ATOM 0 H GLY A 93 -1.337 -34.697 1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.766 -37.097 -0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.147 -37.121 1.528 1.00 0.00 H new TER 1427 GLY A 93