USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 806 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 32 GLN : amide:sc= 0.818 K(o=3,f=-5.6) USER MOD Set 1.2: A 37 LYS NZ :NH3+ 172:sc= 2.17 (180deg=0.515) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.905 K(o=0.9,f=-1.3) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -54:sc= 1.03 USER MOD Single : A 22 THR OG1 : rot 40:sc= 0.0256 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -0.402 K(o=-0.4,f=-2.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -105:sc= 0.835 (180deg=0.0564) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -143:sc= 1.25 (180deg=-0.0997) USER MOD Single : A 49 HIS : no HE2:sc=-0.00126 X(o=-0.0013,f=-0.056) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 1.3 (180deg=1.22) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.031) USER MOD Single : A 72 SER OG : rot 71:sc= 1.22 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0505 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -123:sc= 1.28 (180deg=0.863) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0196 USER MOD Single : A 105 THR OG1 : rot -88:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 9.726 -4.728 7.831 1.00 0.77 N ATOM 49 CA THR A 4 11.124 -5.178 7.903 1.00 0.62 C ATOM 50 C THR A 4 11.171 -6.513 8.637 1.00 0.64 C ATOM 51 O THR A 4 11.717 -7.483 8.117 1.00 0.76 O ATOM 52 CB THR A 4 11.975 -4.114 8.637 1.00 0.66 C ATOM 53 OG1 THR A 4 12.352 -3.136 7.697 1.00 0.84 O ATOM 54 CG2 THR A 4 13.246 -4.610 9.325 1.00 0.71 C ATOM 0 HA THR A 4 11.533 -5.308 6.901 1.00 0.62 H new ATOM 0 HB THR A 4 11.337 -3.745 9.440 1.00 0.66 H new ATOM 0 HG1 THR A 4 12.892 -2.448 8.139 1.00 0.84 H new ATOM 0 HG21 THR A 4 13.753 -3.771 9.802 1.00 0.71 H new ATOM 0 HG22 THR A 4 12.985 -5.353 10.079 1.00 0.71 H new ATOM 0 HG23 THR A 4 13.908 -5.060 8.585 1.00 0.71 H new ATOM 62 N ASP A 5 10.567 -6.536 9.830 1.00 0.64 N ATOM 63 CA ASP A 5 10.572 -7.646 10.781 1.00 0.68 C ATOM 64 C ASP A 5 9.333 -8.532 10.599 1.00 0.66 C ATOM 65 O ASP A 5 9.437 -9.748 10.475 1.00 0.91 O ATOM 66 CB ASP A 5 10.612 -7.026 12.186 1.00 0.77 C ATOM 67 CG ASP A 5 10.819 -8.082 13.268 1.00 1.01 C ATOM 68 OD1 ASP A 5 11.966 -8.569 13.368 1.00 2.21 O ATOM 69 OD2 ASP A 5 9.831 -8.367 13.978 1.00 2.13 O ATOM 0 H ASP A 5 10.034 -5.737 10.174 1.00 0.64 H new ATOM 0 HA ASP A 5 11.436 -8.291 10.621 1.00 0.68 H new ATOM 0 HB2 ASP A 5 11.416 -6.292 12.236 1.00 0.77 H new ATOM 0 HB3 ASP A 5 9.681 -6.492 12.374 1.00 0.77 H new ATOM 74 N LEU A 6 8.159 -7.894 10.519 1.00 0.53 N ATOM 75 CA LEU A 6 6.855 -8.534 10.352 1.00 0.58 C ATOM 76 C LEU A 6 6.677 -9.208 8.975 1.00 0.49 C ATOM 77 O LEU A 6 5.921 -10.171 8.845 1.00 0.83 O ATOM 78 CB LEU A 6 5.797 -7.441 10.571 1.00 0.74 C ATOM 79 CG LEU A 6 5.688 -6.901 12.006 1.00 1.08 C ATOM 80 CD1 LEU A 6 4.686 -5.743 12.014 1.00 2.11 C ATOM 81 CD2 LEU A 6 5.214 -7.945 13.020 1.00 1.47 C ATOM 0 H LEU A 6 8.092 -6.878 10.571 1.00 0.53 H new ATOM 0 HA LEU A 6 6.755 -9.344 11.075 1.00 0.58 H new ATOM 0 HB2 LEU A 6 6.018 -6.608 9.904 1.00 0.74 H new ATOM 0 HB3 LEU A 6 4.825 -7.837 10.276 1.00 0.74 H new ATOM 0 HG LEU A 6 6.689 -6.590 12.304 1.00 1.08 H new ATOM 0 HD11 LEU A 6 4.596 -5.347 13.025 1.00 2.11 H new ATOM 0 HD12 LEU A 6 5.035 -4.956 11.346 1.00 2.11 H new ATOM 0 HD13 LEU A 6 3.713 -6.101 11.676 1.00 2.11 H new ATOM 0 HD21 LEU A 6 5.161 -7.493 14.010 1.00 1.47 H new ATOM 0 HD22 LEU A 6 4.227 -8.308 12.734 1.00 1.47 H new ATOM 0 HD23 LEU A 6 5.916 -8.779 13.039 1.00 1.47 H new ATOM 93 N LEU A 7 7.390 -8.719 7.951 1.00 0.60 N ATOM 94 CA LEU A 7 7.297 -9.187 6.566 1.00 0.56 C ATOM 95 C LEU A 7 8.610 -9.851 6.133 1.00 0.71 C ATOM 96 O LEU A 7 8.710 -11.071 6.194 1.00 1.40 O ATOM 97 CB LEU A 7 6.861 -8.047 5.615 1.00 0.63 C ATOM 98 CG LEU A 7 5.477 -7.391 5.797 1.00 0.70 C ATOM 99 CD1 LEU A 7 4.324 -8.385 5.844 1.00 2.55 C ATOM 100 CD2 LEU A 7 5.387 -6.500 7.030 1.00 2.35 C ATOM 0 H LEU A 7 8.066 -7.965 8.070 1.00 0.60 H new ATOM 0 HA LEU A 7 6.519 -9.948 6.507 1.00 0.56 H new ATOM 0 HB2 LEU A 7 7.609 -7.257 5.688 1.00 0.63 H new ATOM 0 HB3 LEU A 7 6.907 -8.436 4.598 1.00 0.63 H new ATOM 0 HG LEU A 7 5.376 -6.779 4.901 1.00 0.70 H new ATOM 0 HD11 LEU A 7 3.385 -7.847 5.974 1.00 2.55 H new ATOM 0 HD12 LEU A 7 4.293 -8.950 4.913 1.00 2.55 H new ATOM 0 HD13 LEU A 7 4.468 -9.070 6.679 1.00 2.55 H new ATOM 0 HD21 LEU A 7 4.387 -6.071 7.097 1.00 2.35 H new ATOM 0 HD22 LEU A 7 5.588 -7.093 7.923 1.00 2.35 H new ATOM 0 HD23 LEU A 7 6.121 -5.698 6.954 1.00 2.35 H new ATOM 112 N ASN A 8 9.575 -9.038 5.681 1.00 0.52 N ATOM 113 CA ASN A 8 10.917 -9.372 5.191 1.00 0.57 C ATOM 114 C ASN A 8 11.531 -8.100 4.576 1.00 0.50 C ATOM 115 O ASN A 8 11.077 -7.657 3.519 1.00 0.50 O ATOM 116 CB ASN A 8 10.865 -10.459 4.093 1.00 0.65 C ATOM 117 CG ASN A 8 11.013 -11.896 4.554 1.00 0.90 C ATOM 118 OD1 ASN A 8 11.569 -12.211 5.595 1.00 1.29 O ATOM 119 ND2 ASN A 8 10.586 -12.817 3.714 1.00 1.74 N ATOM 0 H ASN A 8 9.418 -8.031 5.647 1.00 0.52 H new ATOM 0 HA ASN A 8 11.509 -9.749 6.025 1.00 0.57 H new ATOM 0 HB2 ASN A 8 9.915 -10.366 3.566 1.00 0.65 H new ATOM 0 HB3 ASN A 8 11.653 -10.250 3.369 1.00 0.65 H new ATOM 0 HD21 ASN A 8 10.718 -13.805 3.930 1.00 1.74 H new ATOM 0 HD22 ASN A 8 10.123 -12.542 2.848 1.00 1.74 H new ATOM 126 N ALA A 9 12.560 -7.512 5.195 1.00 0.49 N ATOM 127 CA ALA A 9 13.256 -6.336 4.651 1.00 0.43 C ATOM 128 C ALA A 9 13.727 -6.514 3.193 1.00 0.33 C ATOM 129 O ALA A 9 13.561 -5.609 2.377 1.00 0.31 O ATOM 130 CB ALA A 9 14.435 -5.996 5.565 1.00 0.50 C ATOM 0 H ALA A 9 12.935 -7.836 6.086 1.00 0.49 H new ATOM 0 HA ALA A 9 12.541 -5.514 4.625 1.00 0.43 H new ATOM 0 HB1 ALA A 9 14.960 -5.125 5.173 1.00 0.50 H new ATOM 0 HB2 ALA A 9 14.067 -5.777 6.567 1.00 0.50 H new ATOM 0 HB3 ALA A 9 15.119 -6.844 5.607 1.00 0.50 H new ATOM 136 N GLU A 10 14.276 -7.684 2.849 1.00 0.35 N ATOM 137 CA GLU A 10 14.741 -8.038 1.498 1.00 0.40 C ATOM 138 C GLU A 10 13.602 -8.078 0.466 1.00 0.44 C ATOM 139 O GLU A 10 13.760 -7.604 -0.663 1.00 0.54 O ATOM 140 CB GLU A 10 15.428 -9.409 1.567 1.00 0.55 C ATOM 141 CG GLU A 10 16.760 -9.352 2.326 1.00 1.25 C ATOM 142 CD GLU A 10 17.181 -10.751 2.779 1.00 1.74 C ATOM 143 OE1 GLU A 10 17.810 -11.457 1.961 1.00 2.46 O ATOM 144 OE2 GLU A 10 16.844 -11.094 3.934 1.00 2.85 O ATOM 0 H GLU A 10 14.415 -8.437 3.523 1.00 0.35 H new ATOM 0 HA GLU A 10 15.435 -7.265 1.166 1.00 0.40 H new ATOM 0 HB2 GLU A 10 14.764 -10.122 2.055 1.00 0.55 H new ATOM 0 HB3 GLU A 10 15.603 -9.777 0.556 1.00 0.55 H new ATOM 0 HG2 GLU A 10 17.531 -8.923 1.686 1.00 1.25 H new ATOM 0 HG3 GLU A 10 16.664 -8.697 3.192 1.00 1.25 H new ATOM 151 N ASP A 11 12.441 -8.605 0.868 1.00 0.45 N ATOM 152 CA ASP A 11 11.223 -8.624 0.059 1.00 0.48 C ATOM 153 C ASP A 11 10.701 -7.172 -0.100 1.00 0.46 C ATOM 154 O ASP A 11 10.434 -6.739 -1.223 1.00 0.50 O ATOM 155 CB ASP A 11 10.183 -9.611 0.650 1.00 0.55 C ATOM 156 CG ASP A 11 10.539 -11.118 0.604 1.00 0.97 C ATOM 157 OD1 ASP A 11 11.508 -11.478 -0.095 1.00 2.19 O ATOM 158 OD2 ASP A 11 9.820 -11.942 1.239 1.00 1.79 O ATOM 0 H ASP A 11 12.322 -9.038 1.784 1.00 0.45 H new ATOM 0 HA ASP A 11 11.433 -9.000 -0.942 1.00 0.48 H new ATOM 0 HB2 ASP A 11 10.008 -9.336 1.690 1.00 0.55 H new ATOM 0 HB3 ASP A 11 9.241 -9.469 0.120 1.00 0.55 H new ATOM 163 N ILE A 12 10.652 -6.375 0.986 1.00 0.41 N ATOM 164 CA ILE A 12 10.320 -4.934 0.963 1.00 0.39 C ATOM 165 C ILE A 12 11.255 -4.126 0.052 1.00 0.33 C ATOM 166 O ILE A 12 10.781 -3.283 -0.710 1.00 0.38 O ATOM 167 CB ILE A 12 10.233 -4.348 2.403 1.00 0.41 C ATOM 168 CG1 ILE A 12 8.786 -4.381 2.948 1.00 0.68 C ATOM 169 CG2 ILE A 12 10.691 -2.889 2.542 1.00 0.49 C ATOM 170 CD1 ILE A 12 8.444 -5.731 3.557 1.00 0.81 C ATOM 0 H ILE A 12 10.846 -6.722 1.925 1.00 0.41 H new ATOM 0 HA ILE A 12 9.328 -4.843 0.520 1.00 0.39 H new ATOM 0 HB ILE A 12 10.910 -4.992 2.964 1.00 0.41 H new ATOM 0 HG12 ILE A 12 8.663 -3.601 3.700 1.00 0.68 H new ATOM 0 HG13 ILE A 12 8.088 -4.159 2.141 1.00 0.68 H new ATOM 0 HG21 ILE A 12 10.592 -2.574 3.581 1.00 0.49 H new ATOM 0 HG22 ILE A 12 11.733 -2.804 2.234 1.00 0.49 H new ATOM 0 HG23 ILE A 12 10.073 -2.252 1.909 1.00 0.49 H new ATOM 0 HD11 ILE A 12 7.419 -5.714 3.928 1.00 0.81 H new ATOM 0 HD12 ILE A 12 8.542 -6.508 2.798 1.00 0.81 H new ATOM 0 HD13 ILE A 12 9.125 -5.941 4.382 1.00 0.81 H new ATOM 182 N LYS A 13 12.566 -4.390 0.077 1.00 0.33 N ATOM 183 CA LYS A 13 13.555 -3.749 -0.791 1.00 0.45 C ATOM 184 C LYS A 13 13.187 -3.900 -2.275 1.00 0.56 C ATOM 185 O LYS A 13 13.277 -2.926 -3.025 1.00 0.70 O ATOM 186 CB LYS A 13 14.943 -4.311 -0.420 1.00 0.58 C ATOM 187 CG LYS A 13 15.997 -4.256 -1.530 1.00 1.17 C ATOM 188 CD LYS A 13 16.362 -2.826 -1.975 1.00 1.75 C ATOM 189 CE LYS A 13 16.409 -2.719 -3.505 1.00 2.75 C ATOM 190 NZ LYS A 13 16.718 -1.338 -3.944 1.00 3.84 N ATOM 0 H LYS A 13 12.976 -5.071 0.716 1.00 0.33 H new ATOM 0 HA LYS A 13 13.574 -2.671 -0.632 1.00 0.45 H new ATOM 0 HB2 LYS A 13 15.320 -3.760 0.442 1.00 0.58 H new ATOM 0 HB3 LYS A 13 14.824 -5.349 -0.108 1.00 0.58 H new ATOM 0 HG2 LYS A 13 16.900 -4.760 -1.185 1.00 1.17 H new ATOM 0 HG3 LYS A 13 15.631 -4.812 -2.393 1.00 1.17 H new ATOM 0 HD2 LYS A 13 15.630 -2.121 -1.580 1.00 1.75 H new ATOM 0 HD3 LYS A 13 17.330 -2.548 -1.558 1.00 1.75 H new ATOM 0 HE2 LYS A 13 17.162 -3.403 -3.896 1.00 2.75 H new ATOM 0 HE3 LYS A 13 15.451 -3.029 -3.922 1.00 2.75 H new ATOM 0 HZ1 LYS A 13 16.742 -1.301 -4.983 1.00 3.84 H new ATOM 0 HZ2 LYS A 13 15.985 -0.690 -3.591 1.00 3.84 H new ATOM 0 HZ3 LYS A 13 17.644 -1.053 -3.566 1.00 3.84 H new ATOM 204 N LYS A 14 12.768 -5.099 -2.701 1.00 0.58 N ATOM 205 CA LYS A 14 12.282 -5.356 -4.067 1.00 0.73 C ATOM 206 C LYS A 14 10.910 -4.735 -4.320 1.00 0.74 C ATOM 207 O LYS A 14 10.687 -4.169 -5.388 1.00 0.87 O ATOM 208 CB LYS A 14 12.288 -6.866 -4.342 1.00 0.85 C ATOM 209 CG LYS A 14 13.733 -7.359 -4.497 1.00 1.19 C ATOM 210 CD LYS A 14 13.805 -8.882 -4.639 1.00 1.48 C ATOM 211 CE LYS A 14 15.267 -9.289 -4.839 1.00 2.55 C ATOM 212 NZ LYS A 14 15.426 -10.762 -4.850 1.00 3.05 N ATOM 0 H LYS A 14 12.756 -5.926 -2.104 1.00 0.58 H new ATOM 0 HA LYS A 14 12.961 -4.871 -4.768 1.00 0.73 H new ATOM 0 HB2 LYS A 14 11.799 -7.396 -3.525 1.00 0.85 H new ATOM 0 HB3 LYS A 14 11.721 -7.083 -5.247 1.00 0.85 H new ATOM 0 HG2 LYS A 14 14.184 -6.891 -5.372 1.00 1.19 H new ATOM 0 HG3 LYS A 14 14.318 -7.047 -3.632 1.00 1.19 H new ATOM 0 HD2 LYS A 14 13.397 -9.364 -3.750 1.00 1.48 H new ATOM 0 HD3 LYS A 14 13.202 -9.211 -5.485 1.00 1.48 H new ATOM 0 HE2 LYS A 14 15.635 -8.876 -5.778 1.00 2.55 H new ATOM 0 HE3 LYS A 14 15.876 -8.863 -4.042 1.00 2.55 H new ATOM 0 HZ1 LYS A 14 16.429 -11.002 -4.987 1.00 3.05 H new ATOM 0 HZ2 LYS A 14 15.097 -11.153 -3.944 1.00 3.05 H new ATOM 0 HZ3 LYS A 14 14.864 -11.166 -5.626 1.00 3.05 H new ATOM 226 N ALA A 15 10.028 -4.777 -3.324 1.00 0.65 N ATOM 227 CA ALA A 15 8.709 -4.166 -3.359 1.00 0.72 C ATOM 228 C ALA A 15 8.765 -2.660 -3.638 1.00 0.63 C ATOM 229 O ALA A 15 8.163 -2.192 -4.601 1.00 0.66 O ATOM 230 CB ALA A 15 8.041 -4.439 -2.018 1.00 0.73 C ATOM 0 H ALA A 15 10.222 -5.254 -2.443 1.00 0.65 H new ATOM 0 HA ALA A 15 8.136 -4.600 -4.178 1.00 0.72 H new ATOM 0 HB1 ALA A 15 7.046 -3.993 -2.010 1.00 0.73 H new ATOM 0 HB2 ALA A 15 7.958 -5.515 -1.865 1.00 0.73 H new ATOM 0 HB3 ALA A 15 8.640 -4.004 -1.218 1.00 0.73 H new ATOM 236 N VAL A 16 9.487 -1.882 -2.819 1.00 0.51 N ATOM 237 CA VAL A 16 9.569 -0.420 -2.979 1.00 0.39 C ATOM 238 C VAL A 16 10.092 -0.057 -4.373 1.00 0.35 C ATOM 239 O VAL A 16 9.589 0.888 -4.971 1.00 0.39 O ATOM 240 CB VAL A 16 10.404 0.222 -1.854 1.00 0.34 C ATOM 241 CG1 VAL A 16 10.548 1.742 -2.008 1.00 0.53 C ATOM 242 CG2 VAL A 16 9.767 -0.023 -0.480 1.00 0.68 C ATOM 0 H VAL A 16 10.027 -2.243 -2.033 1.00 0.51 H new ATOM 0 HA VAL A 16 8.564 -0.008 -2.893 1.00 0.39 H new ATOM 0 HB VAL A 16 11.384 -0.248 -1.928 1.00 0.34 H new ATOM 0 HG11 VAL A 16 11.146 2.136 -1.186 1.00 0.53 H new ATOM 0 HG12 VAL A 16 11.039 1.967 -2.955 1.00 0.53 H new ATOM 0 HG13 VAL A 16 9.561 2.204 -1.993 1.00 0.53 H new ATOM 0 HG21 VAL A 16 10.379 0.442 0.293 1.00 0.68 H new ATOM 0 HG22 VAL A 16 8.767 0.410 -0.460 1.00 0.68 H new ATOM 0 HG23 VAL A 16 9.702 -1.095 -0.295 1.00 0.68 H new ATOM 252 N GLY A 17 10.987 -0.871 -4.951 1.00 0.38 N ATOM 253 CA GLY A 17 11.465 -0.719 -6.327 1.00 0.45 C ATOM 254 C GLY A 17 10.388 -0.895 -7.408 1.00 0.52 C ATOM 255 O GLY A 17 10.617 -0.494 -8.545 1.00 0.68 O ATOM 0 H GLY A 17 11.404 -1.665 -4.465 1.00 0.38 H new ATOM 0 HA2 GLY A 17 11.909 0.271 -6.435 1.00 0.45 H new ATOM 0 HA3 GLY A 17 12.258 -1.445 -6.503 1.00 0.45 H new ATOM 259 N ALA A 18 9.224 -1.468 -7.072 1.00 0.52 N ATOM 260 CA ALA A 18 8.067 -1.608 -7.952 1.00 0.58 C ATOM 261 C ALA A 18 7.147 -0.374 -7.890 1.00 0.54 C ATOM 262 O ALA A 18 6.876 0.216 -8.934 1.00 0.95 O ATOM 263 CB ALA A 18 7.330 -2.907 -7.602 1.00 0.70 C ATOM 0 H ALA A 18 9.062 -1.860 -6.144 1.00 0.52 H new ATOM 0 HA ALA A 18 8.406 -1.668 -8.986 1.00 0.58 H new ATOM 0 HB1 ALA A 18 6.464 -3.021 -8.254 1.00 0.70 H new ATOM 0 HB2 ALA A 18 8.001 -3.755 -7.739 1.00 0.70 H new ATOM 0 HB3 ALA A 18 7.000 -2.870 -6.564 1.00 0.70 H new ATOM 269 N PHE A 19 6.691 0.048 -6.694 1.00 0.39 N ATOM 270 CA PHE A 19 5.895 1.284 -6.565 1.00 0.56 C ATOM 271 C PHE A 19 6.728 2.571 -6.798 1.00 0.62 C ATOM 272 O PHE A 19 6.136 3.623 -7.022 1.00 0.72 O ATOM 273 CB PHE A 19 5.211 1.417 -5.187 1.00 0.66 C ATOM 274 CG PHE A 19 4.057 0.506 -4.784 1.00 0.71 C ATOM 275 CD1 PHE A 19 2.991 0.291 -5.668 1.00 1.37 C ATOM 276 CD2 PHE A 19 3.924 0.042 -3.459 1.00 2.12 C ATOM 277 CE1 PHE A 19 1.864 -0.447 -5.264 1.00 1.40 C ATOM 278 CE2 PHE A 19 2.780 -0.667 -3.041 1.00 2.12 C ATOM 279 CZ PHE A 19 1.756 -0.928 -3.953 1.00 0.80 C ATOM 0 H PHE A 19 6.857 -0.441 -5.815 1.00 0.39 H new ATOM 0 HA PHE A 19 5.140 1.190 -7.345 1.00 0.56 H new ATOM 0 HB2 PHE A 19 5.989 1.297 -4.433 1.00 0.66 H new ATOM 0 HB3 PHE A 19 4.848 2.442 -5.110 1.00 0.66 H new ATOM 0 HD1 PHE A 19 3.035 0.696 -6.668 1.00 1.37 H new ATOM 0 HD2 PHE A 19 4.715 0.234 -2.750 1.00 2.12 H new ATOM 0 HE1 PHE A 19 1.073 -0.645 -5.972 1.00 1.40 H new ATOM 0 HE2 PHE A 19 2.696 -1.007 -2.019 1.00 2.12 H new ATOM 0 HZ PHE A 19 0.888 -1.496 -3.651 1.00 0.80 H new ATOM 289 N SER A 20 8.072 2.527 -6.744 1.00 0.66 N ATOM 290 CA SER A 20 8.996 3.652 -7.007 1.00 0.74 C ATOM 291 C SER A 20 8.992 4.107 -8.483 1.00 0.71 C ATOM 292 O SER A 20 10.027 4.114 -9.160 1.00 0.82 O ATOM 293 CB SER A 20 10.412 3.282 -6.527 1.00 0.89 C ATOM 294 OG SER A 20 11.357 4.247 -6.938 1.00 1.75 O ATOM 0 H SER A 20 8.569 1.669 -6.505 1.00 0.66 H new ATOM 0 HA SER A 20 8.640 4.512 -6.439 1.00 0.74 H new ATOM 0 HB2 SER A 20 10.421 3.200 -5.440 1.00 0.89 H new ATOM 0 HB3 SER A 20 10.690 2.305 -6.923 1.00 0.89 H new ATOM 0 HG SER A 20 11.293 4.375 -7.908 1.00 1.75 H new ATOM 300 N ALA A 21 7.828 4.524 -8.970 1.00 0.66 N ATOM 301 CA ALA A 21 7.552 4.971 -10.325 1.00 0.72 C ATOM 302 C ALA A 21 6.433 6.030 -10.308 1.00 0.77 C ATOM 303 O ALA A 21 6.107 6.591 -9.264 1.00 1.36 O ATOM 304 CB ALA A 21 7.186 3.727 -11.147 1.00 0.74 C ATOM 0 H ALA A 21 6.995 4.560 -8.383 1.00 0.66 H new ATOM 0 HA ALA A 21 8.417 5.452 -10.781 1.00 0.72 H new ATOM 0 HB1 ALA A 21 6.971 4.020 -12.174 1.00 0.74 H new ATOM 0 HB2 ALA A 21 8.020 3.026 -11.137 1.00 0.74 H new ATOM 0 HB3 ALA A 21 6.307 3.250 -10.714 1.00 0.74 H new ATOM 310 N THR A 22 5.859 6.325 -11.477 1.00 0.73 N ATOM 311 CA THR A 22 4.741 7.250 -11.657 1.00 0.85 C ATOM 312 C THR A 22 3.614 6.551 -12.419 1.00 1.27 C ATOM 313 O THR A 22 3.751 6.247 -13.600 1.00 2.97 O ATOM 314 CB THR A 22 5.205 8.539 -12.362 1.00 0.69 C ATOM 315 OG1 THR A 22 6.019 8.271 -13.483 1.00 0.95 O ATOM 316 CG2 THR A 22 6.031 9.412 -11.418 1.00 1.40 C ATOM 0 H THR A 22 6.172 5.911 -12.355 1.00 0.73 H new ATOM 0 HA THR A 22 4.356 7.546 -10.681 1.00 0.85 H new ATOM 0 HB THR A 22 4.293 9.048 -12.676 1.00 0.69 H new ATOM 0 HG1 THR A 22 5.662 7.499 -13.970 1.00 0.95 H new ATOM 0 HG21 THR A 22 6.346 10.315 -11.940 1.00 1.40 H new ATOM 0 HG22 THR A 22 5.427 9.685 -10.553 1.00 1.40 H new ATOM 0 HG23 THR A 22 6.910 8.859 -11.087 1.00 1.40 H new ATOM 324 N ASP A 23 2.517 6.248 -11.715 1.00 0.95 N ATOM 325 CA ASP A 23 1.316 5.544 -12.205 1.00 0.95 C ATOM 326 C ASP A 23 1.521 4.030 -12.416 1.00 0.90 C ATOM 327 O ASP A 23 0.566 3.303 -12.683 1.00 1.17 O ATOM 328 CB ASP A 23 0.733 6.256 -13.447 1.00 1.05 C ATOM 329 CG ASP A 23 -0.782 6.098 -13.631 1.00 2.99 C ATOM 330 OD1 ASP A 23 -1.488 5.945 -12.610 1.00 4.45 O ATOM 331 OD2 ASP A 23 -1.233 6.265 -14.786 1.00 3.74 O ATOM 0 H ASP A 23 2.434 6.500 -10.730 1.00 0.95 H new ATOM 0 HA ASP A 23 0.572 5.601 -11.410 1.00 0.95 H new ATOM 0 HB2 ASP A 23 0.967 7.318 -13.382 1.00 1.05 H new ATOM 0 HB3 ASP A 23 1.234 5.873 -14.336 1.00 1.05 H new ATOM 336 N SER A 24 2.743 3.511 -12.228 1.00 0.74 N ATOM 337 CA SER A 24 3.103 2.105 -12.478 1.00 0.77 C ATOM 338 C SER A 24 2.806 1.222 -11.255 1.00 0.93 C ATOM 339 O SER A 24 3.608 0.379 -10.859 1.00 1.57 O ATOM 340 CB SER A 24 4.568 2.021 -12.921 1.00 0.74 C ATOM 341 OG SER A 24 4.765 0.898 -13.756 1.00 1.49 O ATOM 0 H SER A 24 3.527 4.069 -11.890 1.00 0.74 H new ATOM 0 HA SER A 24 2.484 1.716 -13.286 1.00 0.77 H new ATOM 0 HB2 SER A 24 4.847 2.931 -13.452 1.00 0.74 H new ATOM 0 HB3 SER A 24 5.216 1.951 -12.047 1.00 0.74 H new ATOM 0 HG SER A 24 5.704 0.857 -14.033 1.00 1.49 H new ATOM 347 N PHE A 25 1.653 1.472 -10.623 1.00 0.75 N ATOM 348 CA PHE A 25 1.300 1.035 -9.276 1.00 0.70 C ATOM 349 C PHE A 25 1.452 -0.478 -9.076 1.00 1.14 C ATOM 350 O PHE A 25 2.233 -0.902 -8.233 1.00 3.16 O ATOM 351 CB PHE A 25 -0.127 1.525 -8.979 1.00 0.81 C ATOM 352 CG PHE A 25 -0.609 1.287 -7.564 1.00 0.95 C ATOM 353 CD1 PHE A 25 0.042 1.912 -6.483 1.00 1.79 C ATOM 354 CD2 PHE A 25 -1.723 0.460 -7.329 1.00 1.88 C ATOM 355 CE1 PHE A 25 -0.377 1.658 -5.165 1.00 1.97 C ATOM 356 CE2 PHE A 25 -2.154 0.225 -6.012 1.00 1.98 C ATOM 357 CZ PHE A 25 -1.460 0.796 -4.929 1.00 1.40 C ATOM 0 H PHE A 25 0.907 2.011 -11.063 1.00 0.75 H new ATOM 0 HA PHE A 25 1.998 1.473 -8.563 1.00 0.70 H new ATOM 0 HB2 PHE A 25 -0.178 2.594 -9.188 1.00 0.81 H new ATOM 0 HB3 PHE A 25 -0.814 1.032 -9.667 1.00 0.81 H new ATOM 0 HD1 PHE A 25 0.864 2.588 -6.667 1.00 1.79 H new ATOM 0 HD2 PHE A 25 -2.246 0.007 -8.159 1.00 1.88 H new ATOM 0 HE1 PHE A 25 0.133 2.125 -4.336 1.00 1.97 H new ATOM 0 HE2 PHE A 25 -3.020 -0.395 -5.831 1.00 1.98 H new ATOM 0 HZ PHE A 25 -1.760 0.571 -3.916 1.00 1.40 H new ATOM 367 N ASP A 26 0.728 -1.311 -9.835 1.00 1.00 N ATOM 368 CA ASP A 26 0.891 -2.772 -9.817 1.00 0.80 C ATOM 369 C ASP A 26 0.952 -3.392 -8.398 1.00 0.59 C ATOM 370 O ASP A 26 1.722 -4.317 -8.143 1.00 0.70 O ATOM 371 CB ASP A 26 2.091 -3.149 -10.721 1.00 0.98 C ATOM 372 CG ASP A 26 1.721 -3.346 -12.192 1.00 2.08 C ATOM 373 OD1 ASP A 26 0.623 -2.907 -12.599 1.00 3.37 O ATOM 374 OD2 ASP A 26 2.542 -4.003 -12.877 1.00 2.64 O ATOM 0 H ASP A 26 0.009 -0.989 -10.483 1.00 1.00 H new ATOM 0 HA ASP A 26 -0.013 -3.222 -10.228 1.00 0.80 H new ATOM 0 HB2 ASP A 26 2.848 -2.368 -10.648 1.00 0.98 H new ATOM 0 HB3 ASP A 26 2.543 -4.066 -10.344 1.00 0.98 H new ATOM 379 N HIS A 27 0.112 -2.932 -7.454 1.00 0.59 N ATOM 380 CA HIS A 27 0.106 -3.463 -6.078 1.00 0.78 C ATOM 381 C HIS A 27 -0.026 -4.988 -5.989 1.00 0.59 C ATOM 382 O HIS A 27 0.629 -5.606 -5.161 1.00 0.65 O ATOM 383 CB HIS A 27 -0.959 -2.803 -5.203 1.00 1.19 C ATOM 384 CG HIS A 27 -2.397 -3.044 -5.583 1.00 1.52 C ATOM 385 ND1 HIS A 27 -2.952 -2.962 -6.844 1.00 2.28 N ATOM 386 CD2 HIS A 27 -3.414 -3.258 -4.694 1.00 2.89 C ATOM 387 CE1 HIS A 27 -4.279 -3.133 -6.711 1.00 2.97 C ATOM 388 NE2 HIS A 27 -4.598 -3.315 -5.425 1.00 3.38 N ATOM 0 H HIS A 27 -0.572 -2.193 -7.618 1.00 0.59 H new ATOM 0 HA HIS A 27 1.093 -3.206 -5.695 1.00 0.78 H new ATOM 0 HB2 HIS A 27 -0.817 -3.146 -4.178 1.00 1.19 H new ATOM 0 HB3 HIS A 27 -0.783 -1.727 -5.207 1.00 1.19 H new ATOM 0 HD1 HIS A 27 -2.448 -2.801 -7.716 1.00 2.28 H new ATOM 0 HD2 HIS A 27 -3.317 -3.363 -3.624 1.00 2.89 H new ATOM 0 HE1 HIS A 27 -4.987 -3.125 -7.527 1.00 2.97 H new ATOM 396 N LYS A 28 -0.788 -5.606 -6.892 1.00 0.51 N ATOM 397 CA LYS A 28 -0.849 -7.054 -7.139 1.00 0.53 C ATOM 398 C LYS A 28 0.545 -7.687 -7.303 1.00 0.49 C ATOM 399 O LYS A 28 0.783 -8.789 -6.816 1.00 0.80 O ATOM 400 CB LYS A 28 -1.680 -7.236 -8.414 1.00 0.76 C ATOM 401 CG LYS A 28 -3.185 -7.064 -8.135 1.00 1.76 C ATOM 402 CD LYS A 28 -4.032 -6.836 -9.389 1.00 2.78 C ATOM 403 CE LYS A 28 -3.725 -5.471 -10.014 1.00 2.84 C ATOM 404 NZ LYS A 28 -4.676 -5.159 -11.106 1.00 3.53 N ATOM 0 H LYS A 28 -1.414 -5.085 -7.506 1.00 0.51 H new ATOM 0 HA LYS A 28 -1.298 -7.559 -6.284 1.00 0.53 H new ATOM 0 HB2 LYS A 28 -1.362 -6.511 -9.163 1.00 0.76 H new ATOM 0 HB3 LYS A 28 -1.497 -8.226 -8.831 1.00 0.76 H new ATOM 0 HG2 LYS A 28 -3.551 -7.951 -7.619 1.00 1.76 H new ATOM 0 HG3 LYS A 28 -3.324 -6.221 -7.458 1.00 1.76 H new ATOM 0 HD2 LYS A 28 -3.835 -7.625 -10.114 1.00 2.78 H new ATOM 0 HD3 LYS A 28 -5.090 -6.894 -9.134 1.00 2.78 H new ATOM 0 HE2 LYS A 28 -3.778 -4.697 -9.249 1.00 2.84 H new ATOM 0 HE3 LYS A 28 -2.706 -5.466 -10.402 1.00 2.84 H new ATOM 0 HZ1 LYS A 28 -4.446 -4.230 -11.512 1.00 3.53 H new ATOM 0 HZ2 LYS A 28 -4.606 -5.887 -11.846 1.00 3.53 H new ATOM 0 HZ3 LYS A 28 -5.645 -5.141 -10.728 1.00 3.53 H new ATOM 418 N LYS A 29 1.474 -7.007 -7.980 1.00 0.42 N ATOM 419 CA LYS A 29 2.870 -7.406 -8.206 1.00 0.45 C ATOM 420 C LYS A 29 3.751 -7.062 -6.999 1.00 0.44 C ATOM 421 O LYS A 29 4.498 -7.928 -6.543 1.00 0.51 O ATOM 422 CB LYS A 29 3.357 -6.722 -9.496 1.00 0.63 C ATOM 423 CG LYS A 29 4.523 -7.445 -10.187 1.00 0.75 C ATOM 424 CD LYS A 29 4.739 -6.895 -11.609 1.00 1.29 C ATOM 425 CE LYS A 29 5.321 -5.474 -11.611 1.00 2.71 C ATOM 426 NZ LYS A 29 5.074 -4.784 -12.899 1.00 3.57 N ATOM 0 H LYS A 29 1.261 -6.108 -8.412 1.00 0.42 H new ATOM 0 HA LYS A 29 2.938 -8.487 -8.324 1.00 0.45 H new ATOM 0 HB2 LYS A 29 2.523 -6.651 -10.194 1.00 0.63 H new ATOM 0 HB3 LYS A 29 3.664 -5.703 -9.261 1.00 0.63 H new ATOM 0 HG2 LYS A 29 5.434 -7.320 -9.601 1.00 0.75 H new ATOM 0 HG3 LYS A 29 4.318 -8.515 -10.233 1.00 0.75 H new ATOM 0 HD2 LYS A 29 5.410 -7.559 -12.153 1.00 1.29 H new ATOM 0 HD3 LYS A 29 3.789 -6.895 -12.143 1.00 1.29 H new ATOM 0 HE2 LYS A 29 4.878 -4.898 -10.798 1.00 2.71 H new ATOM 0 HE3 LYS A 29 6.394 -5.519 -11.422 1.00 2.71 H new ATOM 0 HZ1 LYS A 29 5.481 -3.827 -12.864 1.00 3.57 H new ATOM 0 HZ2 LYS A 29 5.518 -5.321 -13.671 1.00 3.57 H new ATOM 0 HZ3 LYS A 29 4.050 -4.719 -13.067 1.00 3.57 H new ATOM 440 N PHE A 30 3.599 -5.851 -6.433 1.00 0.45 N ATOM 441 CA PHE A 30 4.235 -5.442 -5.164 1.00 0.54 C ATOM 442 C PHE A 30 3.960 -6.478 -4.069 1.00 0.55 C ATOM 443 O PHE A 30 4.900 -7.087 -3.573 1.00 0.67 O ATOM 444 CB PHE A 30 3.735 -4.054 -4.728 1.00 0.59 C ATOM 445 CG PHE A 30 4.349 -3.516 -3.441 1.00 0.74 C ATOM 446 CD1 PHE A 30 3.844 -3.884 -2.177 1.00 1.71 C ATOM 447 CD2 PHE A 30 5.388 -2.575 -3.508 1.00 1.94 C ATOM 448 CE1 PHE A 30 4.374 -3.320 -1.003 1.00 1.80 C ATOM 449 CE2 PHE A 30 5.918 -2.008 -2.333 1.00 1.99 C ATOM 450 CZ PHE A 30 5.415 -2.383 -1.079 1.00 1.05 C ATOM 0 H PHE A 30 3.024 -5.118 -6.848 1.00 0.45 H new ATOM 0 HA PHE A 30 5.312 -5.384 -5.324 1.00 0.54 H new ATOM 0 HB2 PHE A 30 3.936 -3.345 -5.531 1.00 0.59 H new ATOM 0 HB3 PHE A 30 2.653 -4.098 -4.604 1.00 0.59 H new ATOM 0 HD1 PHE A 30 3.043 -4.605 -2.110 1.00 1.71 H new ATOM 0 HD2 PHE A 30 5.785 -2.283 -4.469 1.00 1.94 H new ATOM 0 HE1 PHE A 30 3.979 -3.609 -0.040 1.00 1.80 H new ATOM 0 HE2 PHE A 30 6.715 -1.282 -2.398 1.00 1.99 H new ATOM 0 HZ PHE A 30 5.826 -1.953 -0.178 1.00 1.05 H new ATOM 460 N PHE A 31 2.684 -6.715 -3.729 1.00 0.47 N ATOM 461 CA PHE A 31 2.212 -7.609 -2.665 1.00 0.41 C ATOM 462 C PHE A 31 2.604 -9.079 -2.864 1.00 0.32 C ATOM 463 O PHE A 31 2.583 -9.845 -1.899 1.00 0.43 O ATOM 464 CB PHE A 31 0.697 -7.489 -2.480 1.00 0.46 C ATOM 465 CG PHE A 31 0.249 -6.375 -1.545 1.00 0.78 C ATOM 466 CD1 PHE A 31 0.408 -5.023 -1.901 1.00 2.23 C ATOM 467 CD2 PHE A 31 -0.423 -6.696 -0.350 1.00 1.43 C ATOM 468 CE1 PHE A 31 -0.064 -4.003 -1.056 1.00 2.50 C ATOM 469 CE2 PHE A 31 -0.921 -5.682 0.486 1.00 1.49 C ATOM 470 CZ PHE A 31 -0.729 -4.333 0.138 1.00 1.43 C ATOM 0 H PHE A 31 1.912 -6.262 -4.218 1.00 0.47 H new ATOM 0 HA PHE A 31 2.720 -7.275 -1.760 1.00 0.41 H new ATOM 0 HB2 PHE A 31 0.239 -7.330 -3.456 1.00 0.46 H new ATOM 0 HB3 PHE A 31 0.316 -8.437 -2.100 1.00 0.46 H new ATOM 0 HD1 PHE A 31 0.896 -4.767 -2.830 1.00 2.23 H new ATOM 0 HD2 PHE A 31 -0.557 -7.731 -0.073 1.00 1.43 H new ATOM 0 HE1 PHE A 31 0.084 -2.967 -1.324 1.00 2.50 H new ATOM 0 HE2 PHE A 31 -1.449 -5.938 1.393 1.00 1.49 H new ATOM 0 HZ PHE A 31 -1.092 -3.551 0.788 1.00 1.43 H new ATOM 480 N GLN A 32 2.985 -9.464 -4.086 1.00 0.34 N ATOM 481 CA GLN A 32 3.566 -10.768 -4.390 1.00 0.32 C ATOM 482 C GLN A 32 5.088 -10.757 -4.187 1.00 0.42 C ATOM 483 O GLN A 32 5.588 -11.577 -3.420 1.00 0.41 O ATOM 484 CB GLN A 32 3.146 -11.198 -5.810 1.00 0.39 C ATOM 485 CG GLN A 32 1.687 -11.676 -5.745 1.00 0.50 C ATOM 486 CD GLN A 32 1.037 -12.049 -7.073 1.00 1.15 C ATOM 487 OE1 GLN A 32 0.359 -13.064 -7.163 1.00 2.62 O ATOM 488 NE2 GLN A 32 1.086 -11.195 -8.074 1.00 1.38 N ATOM 0 H GLN A 32 2.895 -8.863 -4.905 1.00 0.34 H new ATOM 0 HA GLN A 32 3.181 -11.513 -3.694 1.00 0.32 H new ATOM 0 HB2 GLN A 32 3.244 -10.365 -6.506 1.00 0.39 H new ATOM 0 HB3 GLN A 32 3.793 -11.996 -6.174 1.00 0.39 H new ATOM 0 HG2 GLN A 32 1.640 -12.543 -5.086 1.00 0.50 H new ATOM 0 HG3 GLN A 32 1.090 -10.891 -5.281 1.00 0.50 H new ATOM 0 HE21 GLN A 32 1.652 -10.350 -7.996 1.00 1.38 H new ATOM 0 HE22 GLN A 32 0.558 -11.378 -8.927 1.00 1.38 H new ATOM 497 N MET A 33 5.820 -9.814 -4.798 1.00 0.56 N ATOM 498 CA MET A 33 7.281 -9.690 -4.640 1.00 0.69 C ATOM 499 C MET A 33 7.714 -9.420 -3.189 1.00 0.69 C ATOM 500 O MET A 33 8.671 -10.021 -2.711 1.00 0.74 O ATOM 501 CB MET A 33 7.817 -8.595 -5.578 1.00 0.89 C ATOM 502 CG MET A 33 7.875 -9.078 -7.031 1.00 1.04 C ATOM 503 SD MET A 33 9.128 -10.363 -7.318 1.00 3.07 S ATOM 504 CE MET A 33 8.754 -10.808 -9.033 1.00 3.41 C ATOM 0 H MET A 33 5.416 -9.112 -5.418 1.00 0.56 H new ATOM 0 HA MET A 33 7.713 -10.653 -4.911 1.00 0.69 H new ATOM 0 HB2 MET A 33 7.179 -7.714 -5.512 1.00 0.89 H new ATOM 0 HB3 MET A 33 8.813 -8.293 -5.254 1.00 0.89 H new ATOM 0 HG2 MET A 33 6.897 -9.465 -7.316 1.00 1.04 H new ATOM 0 HG3 MET A 33 8.083 -8.228 -7.680 1.00 1.04 H new ATOM 0 HE1 MET A 33 9.438 -11.590 -9.364 1.00 3.41 H new ATOM 0 HE2 MET A 33 7.729 -11.171 -9.099 1.00 3.41 H new ATOM 0 HE3 MET A 33 8.870 -9.931 -9.670 1.00 3.41 H new ATOM 514 N VAL A 34 6.978 -8.566 -2.472 1.00 0.65 N ATOM 515 CA VAL A 34 7.123 -8.302 -1.029 1.00 0.63 C ATOM 516 C VAL A 34 6.633 -9.472 -0.150 1.00 0.55 C ATOM 517 O VAL A 34 6.844 -9.478 1.060 1.00 0.58 O ATOM 518 CB VAL A 34 6.331 -7.035 -0.685 1.00 0.68 C ATOM 519 CG1 VAL A 34 4.854 -7.290 -0.546 1.00 0.71 C ATOM 520 CG2 VAL A 34 6.809 -6.346 0.592 1.00 0.66 C ATOM 0 H VAL A 34 6.232 -8.014 -2.895 1.00 0.65 H new ATOM 0 HA VAL A 34 8.185 -8.176 -0.818 1.00 0.63 H new ATOM 0 HB VAL A 34 6.514 -6.377 -1.535 1.00 0.68 H new ATOM 0 HG11 VAL A 34 4.345 -6.357 -0.302 1.00 0.71 H new ATOM 0 HG12 VAL A 34 4.463 -7.682 -1.485 1.00 0.71 H new ATOM 0 HG13 VAL A 34 4.683 -8.015 0.250 1.00 0.71 H new ATOM 0 HG21 VAL A 34 6.204 -5.458 0.774 1.00 0.66 H new ATOM 0 HG22 VAL A 34 6.710 -7.031 1.434 1.00 0.66 H new ATOM 0 HG23 VAL A 34 7.854 -6.057 0.480 1.00 0.66 H new ATOM 530 N GLY A 35 5.897 -10.426 -0.738 1.00 0.47 N ATOM 531 CA GLY A 35 5.222 -11.517 -0.045 1.00 0.42 C ATOM 532 C GLY A 35 4.135 -11.120 0.953 1.00 0.35 C ATOM 533 O GLY A 35 3.766 -11.953 1.768 1.00 0.40 O ATOM 0 H GLY A 35 5.754 -10.454 -1.748 1.00 0.47 H new ATOM 0 HA2 GLY A 35 4.776 -12.172 -0.793 1.00 0.42 H new ATOM 0 HA3 GLY A 35 5.974 -12.103 0.484 1.00 0.42 H new ATOM 537 N LEU A 36 3.588 -9.903 0.906 1.00 0.39 N ATOM 538 CA LEU A 36 2.591 -9.385 1.849 1.00 0.48 C ATOM 539 C LEU A 36 1.423 -10.351 2.043 1.00 0.48 C ATOM 540 O LEU A 36 1.204 -10.836 3.148 1.00 0.53 O ATOM 541 CB LEU A 36 2.089 -7.994 1.404 1.00 0.59 C ATOM 542 CG LEU A 36 2.782 -6.831 2.131 1.00 0.90 C ATOM 543 CD1 LEU A 36 2.485 -5.468 1.500 1.00 0.90 C ATOM 544 CD2 LEU A 36 2.271 -6.778 3.551 1.00 1.24 C ATOM 0 H LEU A 36 3.835 -9.226 0.184 1.00 0.39 H new ATOM 0 HA LEU A 36 3.084 -9.283 2.816 1.00 0.48 H new ATOM 0 HB2 LEU A 36 2.246 -7.886 0.331 1.00 0.59 H new ATOM 0 HB3 LEU A 36 1.015 -7.932 1.577 1.00 0.59 H new ATOM 0 HG LEU A 36 3.855 -7.015 2.071 1.00 0.90 H new ATOM 0 HD11 LEU A 36 3.003 -4.688 2.058 1.00 0.90 H new ATOM 0 HD12 LEU A 36 2.829 -5.463 0.466 1.00 0.90 H new ATOM 0 HD13 LEU A 36 1.411 -5.281 1.526 1.00 0.90 H new ATOM 0 HD21 LEU A 36 2.754 -5.957 4.081 1.00 1.24 H new ATOM 0 HD22 LEU A 36 1.192 -6.621 3.544 1.00 1.24 H new ATOM 0 HD23 LEU A 36 2.498 -7.718 4.055 1.00 1.24 H new ATOM 556 N LYS A 37 0.716 -10.687 0.957 1.00 0.47 N ATOM 557 CA LYS A 37 -0.369 -11.688 0.990 1.00 0.67 C ATOM 558 C LYS A 37 0.102 -13.141 1.238 1.00 0.54 C ATOM 559 O LYS A 37 -0.734 -14.022 1.412 1.00 0.61 O ATOM 560 CB LYS A 37 -1.261 -11.562 -0.260 1.00 1.21 C ATOM 561 CG LYS A 37 -0.649 -12.197 -1.513 1.00 1.32 C ATOM 562 CD LYS A 37 -1.593 -12.175 -2.720 1.00 0.92 C ATOM 563 CE LYS A 37 -0.828 -12.812 -3.878 1.00 1.00 C ATOM 564 NZ LYS A 37 -1.571 -12.781 -5.157 1.00 1.15 N ATOM 0 H LYS A 37 0.874 -10.279 0.036 1.00 0.47 H new ATOM 0 HA LYS A 37 -0.970 -11.454 1.869 1.00 0.67 H new ATOM 0 HB2 LYS A 37 -2.224 -12.031 -0.058 1.00 1.21 H new ATOM 0 HB3 LYS A 37 -1.454 -10.507 -0.454 1.00 1.21 H new ATOM 0 HG2 LYS A 37 0.270 -11.670 -1.768 1.00 1.32 H new ATOM 0 HG3 LYS A 37 -0.374 -13.229 -1.293 1.00 1.32 H new ATOM 0 HD2 LYS A 37 -2.508 -12.729 -2.508 1.00 0.92 H new ATOM 0 HD3 LYS A 37 -1.888 -11.154 -2.964 1.00 0.92 H new ATOM 0 HE2 LYS A 37 0.122 -12.294 -4.005 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -0.596 -13.847 -3.626 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -0.950 -13.102 -5.927 1.00 1.15 H new ATOM 0 HZ2 LYS A 37 -2.398 -13.409 -5.094 1.00 1.15 H new ATOM 0 HZ3 LYS A 37 -1.888 -11.810 -5.351 1.00 1.15 H new ATOM 578 N LYS A 38 1.422 -13.398 1.241 1.00 0.50 N ATOM 579 CA LYS A 38 2.074 -14.657 1.655 1.00 0.57 C ATOM 580 C LYS A 38 2.401 -14.658 3.163 1.00 0.50 C ATOM 581 O LYS A 38 2.679 -15.716 3.728 1.00 0.61 O ATOM 582 CB LYS A 38 3.301 -14.948 0.738 1.00 0.82 C ATOM 583 CG LYS A 38 4.692 -15.020 1.416 1.00 1.21 C ATOM 584 CD LYS A 38 5.875 -15.004 0.424 1.00 1.32 C ATOM 585 CE LYS A 38 7.188 -14.706 1.179 1.00 1.71 C ATOM 586 NZ LYS A 38 8.298 -14.256 0.293 1.00 2.60 N ATOM 0 H LYS A 38 2.100 -12.698 0.939 1.00 0.50 H new ATOM 0 HA LYS A 38 1.379 -15.486 1.519 1.00 0.57 H new ATOM 0 HB2 LYS A 38 3.124 -15.895 0.228 1.00 0.82 H new ATOM 0 HB3 LYS A 38 3.339 -14.175 -0.030 1.00 0.82 H new ATOM 0 HG2 LYS A 38 4.795 -14.179 2.102 1.00 1.21 H new ATOM 0 HG3 LYS A 38 4.746 -15.929 2.016 1.00 1.21 H new ATOM 0 HD2 LYS A 38 5.948 -15.965 -0.085 1.00 1.32 H new ATOM 0 HD3 LYS A 38 5.707 -14.249 -0.344 1.00 1.32 H new ATOM 0 HE2 LYS A 38 6.999 -13.938 1.929 1.00 1.71 H new ATOM 0 HE3 LYS A 38 7.502 -15.603 1.713 1.00 1.71 H new ATOM 0 HZ1 LYS A 38 8.981 -15.031 0.171 1.00 2.60 H new ATOM 0 HZ2 LYS A 38 7.914 -13.984 -0.634 1.00 2.60 H new ATOM 0 HZ3 LYS A 38 8.776 -13.438 0.723 1.00 2.60 H new ATOM 600 N LYS A 39 2.375 -13.493 3.826 1.00 0.42 N ATOM 601 CA LYS A 39 2.364 -13.346 5.285 1.00 0.43 C ATOM 602 C LYS A 39 0.921 -13.378 5.810 1.00 0.42 C ATOM 603 O LYS A 39 -0.042 -13.397 5.047 1.00 0.46 O ATOM 604 CB LYS A 39 3.092 -12.049 5.693 1.00 0.53 C ATOM 605 CG LYS A 39 4.548 -11.922 5.206 1.00 1.27 C ATOM 606 CD LYS A 39 5.549 -12.897 5.832 1.00 0.91 C ATOM 607 CE LYS A 39 5.555 -14.273 5.158 1.00 2.29 C ATOM 608 NZ LYS A 39 5.994 -15.327 6.101 1.00 2.83 N ATOM 0 H LYS A 39 2.361 -12.596 3.341 1.00 0.42 H new ATOM 0 HA LYS A 39 2.898 -14.182 5.736 1.00 0.43 H new ATOM 0 HB2 LYS A 39 2.525 -11.200 5.312 1.00 0.53 H new ATOM 0 HB3 LYS A 39 3.084 -11.976 6.780 1.00 0.53 H new ATOM 0 HG2 LYS A 39 4.563 -12.060 4.125 1.00 1.27 H new ATOM 0 HG3 LYS A 39 4.889 -10.905 5.402 1.00 1.27 H new ATOM 0 HD2 LYS A 39 6.549 -12.467 5.775 1.00 0.91 H new ATOM 0 HD3 LYS A 39 5.315 -13.019 6.890 1.00 0.91 H new ATOM 0 HE2 LYS A 39 4.556 -14.505 4.788 1.00 2.29 H new ATOM 0 HE3 LYS A 39 6.219 -14.255 4.293 1.00 2.29 H new ATOM 0 HZ1 LYS A 39 5.989 -16.248 5.619 1.00 2.83 H new ATOM 0 HZ2 LYS A 39 6.956 -15.116 6.434 1.00 2.83 H new ATOM 0 HZ3 LYS A 39 5.346 -15.358 6.913 1.00 2.83 H new ATOM 622 N SER A 40 0.785 -13.450 7.133 1.00 0.44 N ATOM 623 CA SER A 40 -0.482 -13.719 7.813 1.00 0.44 C ATOM 624 C SER A 40 -1.502 -12.580 7.665 1.00 0.43 C ATOM 625 O SER A 40 -1.140 -11.404 7.624 1.00 0.38 O ATOM 626 CB SER A 40 -0.197 -13.962 9.301 1.00 0.52 C ATOM 627 OG SER A 40 0.807 -14.950 9.447 1.00 2.08 O ATOM 0 H SER A 40 1.567 -13.321 7.775 1.00 0.44 H new ATOM 0 HA SER A 40 -0.926 -14.598 7.345 1.00 0.44 H new ATOM 0 HB2 SER A 40 0.123 -13.034 9.775 1.00 0.52 H new ATOM 0 HB3 SER A 40 -1.108 -14.280 9.807 1.00 0.52 H new ATOM 0 HG SER A 40 0.984 -15.098 10.399 1.00 2.08 H new ATOM 633 N ALA A 41 -2.797 -12.915 7.725 1.00 0.54 N ATOM 634 CA ALA A 41 -3.882 -11.930 7.819 1.00 0.56 C ATOM 635 C ALA A 41 -3.714 -11.004 9.034 1.00 0.49 C ATOM 636 O ALA A 41 -3.884 -9.789 8.943 1.00 0.44 O ATOM 637 CB ALA A 41 -5.212 -12.677 7.929 1.00 0.74 C ATOM 0 H ALA A 41 -3.123 -13.881 7.710 1.00 0.54 H new ATOM 0 HA ALA A 41 -3.858 -11.307 6.925 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -6.028 -11.958 8.000 1.00 0.74 H new ATOM 0 HB2 ALA A 41 -5.353 -13.301 7.046 1.00 0.74 H new ATOM 0 HB3 ALA A 41 -5.204 -13.305 8.820 1.00 0.74 H new ATOM 643 N ASP A 42 -3.314 -11.576 10.172 1.00 0.56 N ATOM 644 CA ASP A 42 -3.003 -10.810 11.371 1.00 0.61 C ATOM 645 C ASP A 42 -1.776 -9.909 11.192 1.00 0.53 C ATOM 646 O ASP A 42 -1.615 -8.976 11.978 1.00 0.75 O ATOM 647 CB ASP A 42 -2.787 -11.749 12.570 1.00 0.77 C ATOM 648 CG ASP A 42 -4.089 -12.227 13.219 1.00 1.91 C ATOM 649 OD1 ASP A 42 -5.124 -11.541 13.049 1.00 3.01 O ATOM 650 OD2 ASP A 42 -4.011 -13.261 13.915 1.00 2.88 O ATOM 0 H ASP A 42 -3.198 -12.583 10.284 1.00 0.56 H new ATOM 0 HA ASP A 42 -3.860 -10.164 11.560 1.00 0.61 H new ATOM 0 HB2 ASP A 42 -2.215 -12.617 12.242 1.00 0.77 H new ATOM 0 HB3 ASP A 42 -2.185 -11.235 13.319 1.00 0.77 H new ATOM 655 N ASP A 43 -0.932 -10.151 10.180 1.00 0.42 N ATOM 656 CA ASP A 43 0.155 -9.259 9.799 1.00 0.35 C ATOM 657 C ASP A 43 -0.334 -8.129 8.892 1.00 0.32 C ATOM 658 O ASP A 43 -0.049 -6.966 9.168 1.00 0.34 O ATOM 659 CB ASP A 43 1.319 -10.021 9.160 1.00 0.37 C ATOM 660 CG ASP A 43 2.575 -9.238 9.510 1.00 1.01 C ATOM 661 OD1 ASP A 43 3.029 -9.433 10.659 1.00 2.03 O ATOM 662 OD2 ASP A 43 2.957 -8.365 8.702 1.00 1.98 O ATOM 0 H ASP A 43 -0.992 -10.987 9.598 1.00 0.42 H new ATOM 0 HA ASP A 43 0.529 -8.804 10.716 1.00 0.35 H new ATOM 0 HB2 ASP A 43 1.375 -11.040 9.543 1.00 0.37 H new ATOM 0 HB3 ASP A 43 1.192 -10.093 8.080 1.00 0.37 H new ATOM 667 N VAL A 44 -1.143 -8.437 7.866 1.00 0.31 N ATOM 668 CA VAL A 44 -1.702 -7.433 6.951 1.00 0.38 C ATOM 669 C VAL A 44 -2.509 -6.337 7.678 1.00 0.35 C ATOM 670 O VAL A 44 -2.553 -5.192 7.224 1.00 0.38 O ATOM 671 CB VAL A 44 -2.446 -8.133 5.793 1.00 0.61 C ATOM 672 CG1 VAL A 44 -3.962 -8.223 5.967 1.00 0.91 C ATOM 673 CG2 VAL A 44 -2.140 -7.444 4.462 1.00 1.48 C ATOM 0 H VAL A 44 -1.428 -9.392 7.648 1.00 0.31 H new ATOM 0 HA VAL A 44 -0.883 -6.873 6.499 1.00 0.38 H new ATOM 0 HB VAL A 44 -2.071 -9.156 5.801 1.00 0.61 H new ATOM 0 HG11 VAL A 44 -4.398 -8.729 5.106 1.00 0.91 H new ATOM 0 HG12 VAL A 44 -4.192 -8.785 6.873 1.00 0.91 H new ATOM 0 HG13 VAL A 44 -4.379 -7.219 6.047 1.00 0.91 H new ATOM 0 HG21 VAL A 44 -2.673 -7.952 3.658 1.00 1.48 H new ATOM 0 HG22 VAL A 44 -2.460 -6.403 4.509 1.00 1.48 H new ATOM 0 HG23 VAL A 44 -1.068 -7.485 4.269 1.00 1.48 H new ATOM 683 N LYS A 45 -3.034 -6.640 8.878 1.00 0.34 N ATOM 684 CA LYS A 45 -3.522 -5.651 9.857 1.00 0.38 C ATOM 685 C LYS A 45 -2.474 -4.605 10.274 1.00 0.40 C ATOM 686 O LYS A 45 -2.759 -3.406 10.226 1.00 0.56 O ATOM 687 CB LYS A 45 -4.127 -6.384 11.063 1.00 0.43 C ATOM 688 CG LYS A 45 -5.509 -6.948 10.695 1.00 1.56 C ATOM 689 CD LYS A 45 -6.185 -7.613 11.900 1.00 1.97 C ATOM 690 CE LYS A 45 -7.636 -7.972 11.551 1.00 2.35 C ATOM 691 NZ LYS A 45 -8.540 -7.785 12.712 1.00 2.84 N ATOM 0 H LYS A 45 -3.133 -7.602 9.202 1.00 0.34 H new ATOM 0 HA LYS A 45 -4.297 -5.064 9.365 1.00 0.38 H new ATOM 0 HB2 LYS A 45 -3.467 -7.193 11.377 1.00 0.43 H new ATOM 0 HB3 LYS A 45 -4.217 -5.700 11.907 1.00 0.43 H new ATOM 0 HG2 LYS A 45 -6.142 -6.145 10.319 1.00 1.56 H new ATOM 0 HG3 LYS A 45 -5.404 -7.674 9.889 1.00 1.56 H new ATOM 0 HD2 LYS A 45 -5.637 -8.511 12.186 1.00 1.97 H new ATOM 0 HD3 LYS A 45 -6.164 -6.940 12.757 1.00 1.97 H new ATOM 0 HE2 LYS A 45 -7.975 -7.352 10.722 1.00 2.35 H new ATOM 0 HE3 LYS A 45 -7.684 -9.008 11.215 1.00 2.35 H new ATOM 0 HZ1 LYS A 45 -9.512 -8.037 12.440 1.00 2.84 H new ATOM 0 HZ2 LYS A 45 -8.231 -8.396 13.495 1.00 2.84 H new ATOM 0 HZ3 LYS A 45 -8.513 -6.791 13.017 1.00 2.84 H new ATOM 705 N LYS A 46 -1.261 -5.029 10.652 1.00 0.33 N ATOM 706 CA LYS A 46 -0.132 -4.142 10.982 1.00 0.36 C ATOM 707 C LYS A 46 0.399 -3.393 9.758 1.00 0.36 C ATOM 708 O LYS A 46 0.975 -2.315 9.929 1.00 0.45 O ATOM 709 CB LYS A 46 1.040 -4.925 11.603 1.00 0.50 C ATOM 710 CG LYS A 46 0.833 -5.412 13.047 1.00 0.84 C ATOM 711 CD LYS A 46 0.091 -6.748 13.084 1.00 1.31 C ATOM 712 CE LYS A 46 0.127 -7.407 14.463 1.00 1.72 C ATOM 713 NZ LYS A 46 -0.367 -8.800 14.362 1.00 2.29 N ATOM 0 H LYS A 46 -1.030 -6.019 10.740 1.00 0.33 H new ATOM 0 HA LYS A 46 -0.527 -3.424 11.700 1.00 0.36 H new ATOM 0 HB2 LYS A 46 1.247 -5.791 10.974 1.00 0.50 H new ATOM 0 HB3 LYS A 46 1.928 -4.293 11.577 1.00 0.50 H new ATOM 0 HG2 LYS A 46 1.800 -5.517 13.539 1.00 0.84 H new ATOM 0 HG3 LYS A 46 0.270 -4.666 13.607 1.00 0.84 H new ATOM 0 HD2 LYS A 46 -0.946 -6.591 12.788 1.00 1.31 H new ATOM 0 HD3 LYS A 46 0.532 -7.424 12.352 1.00 1.31 H new ATOM 0 HE2 LYS A 46 1.144 -7.399 14.854 1.00 1.72 H new ATOM 0 HE3 LYS A 46 -0.489 -6.842 15.163 1.00 1.72 H new ATOM 0 HZ1 LYS A 46 -0.920 -9.035 15.211 1.00 2.29 H new ATOM 0 HZ2 LYS A 46 -0.969 -8.894 13.520 1.00 2.29 H new ATOM 0 HZ3 LYS A 46 0.441 -9.450 14.284 1.00 2.29 H new ATOM 727 N VAL A 47 0.244 -3.969 8.561 1.00 0.36 N ATOM 728 CA VAL A 47 0.615 -3.384 7.263 1.00 0.38 C ATOM 729 C VAL A 47 -0.242 -2.154 6.997 1.00 0.36 C ATOM 730 O VAL A 47 0.293 -1.051 7.023 1.00 0.39 O ATOM 731 CB VAL A 47 0.533 -4.423 6.130 1.00 0.42 C ATOM 732 CG1 VAL A 47 0.861 -3.835 4.750 1.00 0.45 C ATOM 733 CG2 VAL A 47 1.485 -5.589 6.428 1.00 0.48 C ATOM 0 H VAL A 47 -0.162 -4.899 8.464 1.00 0.36 H new ATOM 0 HA VAL A 47 1.657 -3.066 7.297 1.00 0.38 H new ATOM 0 HB VAL A 47 -0.500 -4.770 6.093 1.00 0.42 H new ATOM 0 HG11 VAL A 47 0.786 -4.617 3.994 1.00 0.45 H new ATOM 0 HG12 VAL A 47 0.156 -3.037 4.518 1.00 0.45 H new ATOM 0 HG13 VAL A 47 1.874 -3.433 4.757 1.00 0.45 H new ATOM 0 HG21 VAL A 47 1.425 -6.323 5.624 1.00 0.48 H new ATOM 0 HG22 VAL A 47 2.506 -5.215 6.502 1.00 0.48 H new ATOM 0 HG23 VAL A 47 1.201 -6.059 7.370 1.00 0.48 H new ATOM 743 N PHE A 48 -1.561 -2.316 6.825 1.00 0.36 N ATOM 744 CA PHE A 48 -2.526 -1.229 6.717 1.00 0.38 C ATOM 745 C PHE A 48 -2.307 -0.086 7.729 1.00 0.35 C ATOM 746 O PHE A 48 -2.175 1.074 7.335 1.00 0.32 O ATOM 747 CB PHE A 48 -3.905 -1.866 6.867 1.00 0.44 C ATOM 748 CG PHE A 48 -5.017 -0.853 6.887 1.00 0.48 C ATOM 749 CD1 PHE A 48 -5.365 -0.213 5.691 1.00 1.79 C ATOM 750 CD2 PHE A 48 -5.683 -0.539 8.089 1.00 2.16 C ATOM 751 CE1 PHE A 48 -6.366 0.762 5.699 1.00 1.78 C ATOM 752 CE2 PHE A 48 -6.707 0.423 8.085 1.00 2.25 C ATOM 753 CZ PHE A 48 -7.043 1.074 6.887 1.00 0.80 C ATOM 0 H PHE A 48 -1.992 -3.238 6.756 1.00 0.36 H new ATOM 0 HA PHE A 48 -2.410 -0.737 5.751 1.00 0.38 H new ATOM 0 HB2 PHE A 48 -4.069 -2.563 6.045 1.00 0.44 H new ATOM 0 HB3 PHE A 48 -3.933 -2.448 7.788 1.00 0.44 H new ATOM 0 HD1 PHE A 48 -4.864 -0.471 4.770 1.00 1.79 H new ATOM 0 HD2 PHE A 48 -5.408 -1.035 9.008 1.00 2.16 H new ATOM 0 HE1 PHE A 48 -6.620 1.278 4.785 1.00 1.78 H new ATOM 0 HE2 PHE A 48 -7.233 0.660 8.998 1.00 2.25 H new ATOM 0 HZ PHE A 48 -7.826 1.818 6.880 1.00 0.80 H new ATOM 763 N HIS A 49 -2.210 -0.411 9.025 1.00 0.41 N ATOM 764 CA HIS A 49 -1.949 0.565 10.089 1.00 0.44 C ATOM 765 C HIS A 49 -0.665 1.395 9.876 1.00 0.44 C ATOM 766 O HIS A 49 -0.617 2.548 10.297 1.00 0.69 O ATOM 767 CB HIS A 49 -1.945 -0.180 11.437 1.00 0.55 C ATOM 768 CG HIS A 49 -1.188 0.505 12.550 1.00 1.53 C ATOM 769 ND1 HIS A 49 -0.029 0.038 13.123 1.00 2.89 N ATOM 770 CD2 HIS A 49 -1.484 1.708 13.136 1.00 2.92 C ATOM 771 CE1 HIS A 49 0.370 0.943 14.033 1.00 4.05 C ATOM 772 NE2 HIS A 49 -0.490 1.974 14.086 1.00 4.03 N ATOM 0 H HIS A 49 -2.311 -1.367 9.366 1.00 0.41 H new ATOM 0 HA HIS A 49 -2.747 1.308 10.074 1.00 0.44 H new ATOM 0 HB2 HIS A 49 -2.977 -0.324 11.757 1.00 0.55 H new ATOM 0 HB3 HIS A 49 -1.517 -1.171 11.285 1.00 0.55 H new ATOM 0 HD1 HIS A 49 0.443 -0.838 12.898 1.00 2.89 H new ATOM 0 HD2 HIS A 49 -2.331 2.337 12.907 1.00 2.92 H new ATOM 0 HE1 HIS A 49 1.260 0.854 14.639 1.00 4.05 H new ATOM 780 N MET A 50 0.357 0.859 9.193 1.00 0.32 N ATOM 781 CA MET A 50 1.603 1.579 8.897 1.00 0.38 C ATOM 782 C MET A 50 1.426 2.717 7.870 1.00 0.41 C ATOM 783 O MET A 50 2.288 3.585 7.751 1.00 0.46 O ATOM 784 CB MET A 50 2.636 0.562 8.384 1.00 0.47 C ATOM 785 CG MET A 50 4.078 1.006 8.620 1.00 0.63 C ATOM 786 SD MET A 50 4.600 1.142 10.350 1.00 1.15 S ATOM 787 CE MET A 50 6.151 2.042 10.098 1.00 1.52 C ATOM 0 H MET A 50 0.341 -0.093 8.828 1.00 0.32 H new ATOM 0 HA MET A 50 1.939 2.057 9.817 1.00 0.38 H new ATOM 0 HB2 MET A 50 2.471 -0.396 8.878 1.00 0.47 H new ATOM 0 HB3 MET A 50 2.481 0.402 7.317 1.00 0.47 H new ATOM 0 HG2 MET A 50 4.740 0.302 8.117 1.00 0.63 H new ATOM 0 HG3 MET A 50 4.221 1.975 8.142 1.00 0.63 H new ATOM 0 HE1 MET A 50 6.627 2.223 11.062 1.00 1.52 H new ATOM 0 HE2 MET A 50 6.817 1.451 9.469 1.00 1.52 H new ATOM 0 HE3 MET A 50 5.944 2.995 9.611 1.00 1.52 H new ATOM 797 N LEU A 51 0.320 2.698 7.122 1.00 0.69 N ATOM 798 CA LEU A 51 -0.026 3.630 6.048 1.00 0.68 C ATOM 799 C LEU A 51 -0.925 4.757 6.584 1.00 0.70 C ATOM 800 O LEU A 51 -0.722 5.911 6.208 1.00 0.72 O ATOM 801 CB LEU A 51 -0.726 2.824 4.941 1.00 0.66 C ATOM 802 CG LEU A 51 -0.004 1.518 4.529 1.00 0.82 C ATOM 803 CD1 LEU A 51 -0.795 0.779 3.451 1.00 1.88 C ATOM 804 CD2 LEU A 51 1.434 1.749 4.053 1.00 2.17 C ATOM 0 H LEU A 51 -0.400 1.989 7.259 1.00 0.69 H new ATOM 0 HA LEU A 51 0.868 4.106 5.645 1.00 0.68 H new ATOM 0 HB2 LEU A 51 -1.733 2.575 5.275 1.00 0.66 H new ATOM 0 HB3 LEU A 51 -0.829 3.458 4.060 1.00 0.66 H new ATOM 0 HG LEU A 51 0.051 0.905 5.429 1.00 0.82 H new ATOM 0 HD11 LEU A 51 -0.269 -0.136 3.177 1.00 1.88 H new ATOM 0 HD12 LEU A 51 -1.784 0.528 3.833 1.00 1.88 H new ATOM 0 HD13 LEU A 51 -0.896 1.417 2.573 1.00 1.88 H new ATOM 0 HD21 LEU A 51 1.884 0.795 3.779 1.00 2.17 H new ATOM 0 HD22 LEU A 51 1.429 2.410 3.186 1.00 2.17 H new ATOM 0 HD23 LEU A 51 2.014 2.207 4.855 1.00 2.17 H new ATOM 816 N ASP A 52 -1.842 4.418 7.512 1.00 0.72 N ATOM 817 CA ASP A 52 -2.778 5.283 8.260 1.00 0.76 C ATOM 818 C ASP A 52 -2.073 6.275 9.213 1.00 0.87 C ATOM 819 O ASP A 52 -2.415 6.402 10.390 1.00 1.45 O ATOM 820 CB ASP A 52 -3.822 4.391 8.965 1.00 0.77 C ATOM 821 CG ASP A 52 -5.055 5.172 9.446 1.00 1.01 C ATOM 822 OD1 ASP A 52 -5.857 5.627 8.600 1.00 1.38 O ATOM 823 OD2 ASP A 52 -5.268 5.295 10.672 1.00 2.19 O ATOM 0 H ASP A 52 -1.957 3.441 7.782 1.00 0.72 H new ATOM 0 HA ASP A 52 -3.293 5.933 7.553 1.00 0.76 H new ATOM 0 HB2 ASP A 52 -4.141 3.605 8.281 1.00 0.77 H new ATOM 0 HB3 ASP A 52 -3.355 3.900 9.818 1.00 0.77 H new ATOM 828 N LYS A 53 -1.062 6.992 8.707 1.00 0.60 N ATOM 829 CA LYS A 53 -0.148 7.826 9.500 1.00 0.70 C ATOM 830 C LYS A 53 -0.816 9.025 10.192 1.00 0.76 C ATOM 831 O LYS A 53 -0.258 9.570 11.138 1.00 1.26 O ATOM 832 CB LYS A 53 1.060 8.208 8.642 1.00 1.04 C ATOM 833 CG LYS A 53 0.713 9.330 7.664 1.00 1.70 C ATOM 834 CD LYS A 53 1.798 9.510 6.601 1.00 2.07 C ATOM 835 CE LYS A 53 1.645 8.492 5.462 1.00 3.34 C ATOM 836 NZ LYS A 53 2.745 8.652 4.484 1.00 4.31 N ATOM 0 H LYS A 53 -0.851 7.009 7.709 1.00 0.60 H new ATOM 0 HA LYS A 53 0.198 7.227 10.342 1.00 0.70 H new ATOM 0 HB2 LYS A 53 1.881 8.525 9.286 1.00 1.04 H new ATOM 0 HB3 LYS A 53 1.407 7.335 8.089 1.00 1.04 H new ATOM 0 HG2 LYS A 53 -0.238 9.109 7.179 1.00 1.70 H new ATOM 0 HG3 LYS A 53 0.582 10.263 8.212 1.00 1.70 H new ATOM 0 HD2 LYS A 53 1.748 10.521 6.196 1.00 2.07 H new ATOM 0 HD3 LYS A 53 2.780 9.399 7.060 1.00 2.07 H new ATOM 0 HE2 LYS A 53 1.652 7.480 5.866 1.00 3.34 H new ATOM 0 HE3 LYS A 53 0.684 8.631 4.966 1.00 3.34 H new ATOM 0 HZ1 LYS A 53 2.568 8.042 3.660 1.00 4.31 H new ATOM 0 HZ2 LYS A 53 2.794 9.644 4.176 1.00 4.31 H new ATOM 0 HZ3 LYS A 53 3.646 8.382 4.928 1.00 4.31 H new ATOM 850 N ASP A 54 -2.016 9.403 9.747 1.00 0.98 N ATOM 851 CA ASP A 54 -2.886 10.418 10.341 1.00 1.40 C ATOM 852 C ASP A 54 -3.780 9.881 11.476 1.00 1.68 C ATOM 853 O ASP A 54 -4.428 10.680 12.146 1.00 2.21 O ATOM 854 CB ASP A 54 -3.761 11.010 9.225 1.00 1.57 C ATOM 855 CG ASP A 54 -4.710 9.973 8.622 1.00 1.46 C ATOM 856 OD1 ASP A 54 -4.284 8.886 8.162 1.00 2.71 O ATOM 857 OD2 ASP A 54 -5.937 10.176 8.535 1.00 2.16 O ATOM 0 H ASP A 54 -2.430 8.984 8.914 1.00 0.98 H new ATOM 0 HA ASP A 54 -2.247 11.175 10.797 1.00 1.40 H new ATOM 0 HB2 ASP A 54 -4.341 11.842 9.624 1.00 1.57 H new ATOM 0 HB3 ASP A 54 -3.122 11.414 8.440 1.00 1.57 H new ATOM 862 N LYS A 55 -3.811 8.554 11.697 1.00 1.52 N ATOM 863 CA LYS A 55 -4.677 7.842 12.650 1.00 1.95 C ATOM 864 C LYS A 55 -6.174 8.143 12.470 1.00 2.22 C ATOM 865 O LYS A 55 -6.785 8.856 13.267 1.00 3.45 O ATOM 866 CB LYS A 55 -4.173 8.046 14.097 1.00 2.35 C ATOM 867 CG LYS A 55 -2.954 7.170 14.430 1.00 2.12 C ATOM 868 CD LYS A 55 -3.372 5.723 14.751 1.00 2.50 C ATOM 869 CE LYS A 55 -2.177 4.781 14.934 1.00 2.60 C ATOM 870 NZ LYS A 55 -1.317 5.171 16.074 1.00 3.55 N ATOM 0 H LYS A 55 -3.199 7.917 11.187 1.00 1.52 H new ATOM 0 HA LYS A 55 -4.600 6.778 12.425 1.00 1.95 H new ATOM 0 HB2 LYS A 55 -3.912 9.094 14.242 1.00 2.35 H new ATOM 0 HB3 LYS A 55 -4.980 7.819 14.794 1.00 2.35 H new ATOM 0 HG2 LYS A 55 -2.262 7.172 13.588 1.00 2.12 H new ATOM 0 HG3 LYS A 55 -2.421 7.594 15.281 1.00 2.12 H new ATOM 0 HD2 LYS A 55 -3.974 5.718 15.660 1.00 2.50 H new ATOM 0 HD3 LYS A 55 -4.005 5.347 13.947 1.00 2.50 H new ATOM 0 HE2 LYS A 55 -2.540 3.765 15.088 1.00 2.60 H new ATOM 0 HE3 LYS A 55 -1.582 4.772 14.021 1.00 2.60 H new ATOM 0 HZ1 LYS A 55 -0.524 4.503 16.155 1.00 3.55 H new ATOM 0 HZ2 LYS A 55 -0.947 6.130 15.918 1.00 3.55 H new ATOM 0 HZ3 LYS A 55 -1.875 5.154 16.952 1.00 3.55 H new ATOM 884 N SER A 56 -6.786 7.504 11.465 1.00 1.12 N ATOM 885 CA SER A 56 -8.252 7.439 11.303 1.00 1.07 C ATOM 886 C SER A 56 -8.835 6.045 10.997 1.00 0.95 C ATOM 887 O SER A 56 -10.053 5.893 11.055 1.00 1.06 O ATOM 888 CB SER A 56 -8.755 8.481 10.288 1.00 1.10 C ATOM 889 OG SER A 56 -8.567 8.077 8.941 1.00 1.00 O ATOM 0 H SER A 56 -6.276 7.011 10.732 1.00 1.12 H new ATOM 0 HA SER A 56 -8.634 7.682 12.295 1.00 1.07 H new ATOM 0 HB2 SER A 56 -9.815 8.667 10.461 1.00 1.10 H new ATOM 0 HB3 SER A 56 -8.234 9.424 10.455 1.00 1.10 H new ATOM 0 HG SER A 56 -8.905 8.774 8.340 1.00 1.00 H new ATOM 895 N GLY A 57 -8.015 5.020 10.720 1.00 0.82 N ATOM 896 CA GLY A 57 -8.454 3.667 10.367 1.00 0.81 C ATOM 897 C GLY A 57 -8.837 3.486 8.892 1.00 0.58 C ATOM 898 O GLY A 57 -9.496 2.501 8.569 1.00 0.65 O ATOM 0 H GLY A 57 -7.000 5.115 10.737 1.00 0.82 H new ATOM 0 HA2 GLY A 57 -7.657 2.965 10.611 1.00 0.81 H new ATOM 0 HA3 GLY A 57 -9.311 3.404 10.987 1.00 0.81 H new ATOM 902 N PHE A 58 -8.453 4.417 8.008 1.00 0.41 N ATOM 903 CA PHE A 58 -8.880 4.501 6.603 1.00 0.34 C ATOM 904 C PHE A 58 -7.829 5.252 5.786 1.00 0.37 C ATOM 905 O PHE A 58 -7.496 6.389 6.129 1.00 0.65 O ATOM 906 CB PHE A 58 -10.211 5.263 6.514 1.00 0.38 C ATOM 907 CG PHE A 58 -11.404 4.594 7.163 1.00 0.48 C ATOM 908 CD1 PHE A 58 -12.077 3.548 6.502 1.00 1.89 C ATOM 909 CD2 PHE A 58 -11.851 5.024 8.426 1.00 1.76 C ATOM 910 CE1 PHE A 58 -13.186 2.931 7.107 1.00 2.10 C ATOM 911 CE2 PHE A 58 -12.947 4.395 9.039 1.00 1.80 C ATOM 912 CZ PHE A 58 -13.615 3.348 8.379 1.00 1.10 C ATOM 0 H PHE A 58 -7.808 5.165 8.263 1.00 0.41 H new ATOM 0 HA PHE A 58 -9.001 3.492 6.209 1.00 0.34 H new ATOM 0 HB2 PHE A 58 -10.077 6.244 6.971 1.00 0.38 H new ATOM 0 HB3 PHE A 58 -10.441 5.430 5.462 1.00 0.38 H new ATOM 0 HD1 PHE A 58 -11.741 3.220 5.530 1.00 1.89 H new ATOM 0 HD2 PHE A 58 -11.350 5.840 8.925 1.00 1.76 H new ATOM 0 HE1 PHE A 58 -13.708 2.137 6.594 1.00 2.10 H new ATOM 0 HE2 PHE A 58 -13.277 4.715 10.016 1.00 1.80 H new ATOM 0 HZ PHE A 58 -14.458 2.864 8.850 1.00 1.10 H new ATOM 922 N ILE A 59 -7.324 4.657 4.698 1.00 0.29 N ATOM 923 CA ILE A 59 -6.338 5.337 3.846 1.00 0.37 C ATOM 924 C ILE A 59 -7.057 6.123 2.745 1.00 0.40 C ATOM 925 O ILE A 59 -7.845 5.563 1.982 1.00 0.44 O ATOM 926 CB ILE A 59 -5.302 4.362 3.269 1.00 0.49 C ATOM 927 CG1 ILE A 59 -4.576 3.542 4.354 1.00 0.80 C ATOM 928 CG2 ILE A 59 -4.248 5.091 2.414 1.00 0.69 C ATOM 929 CD1 ILE A 59 -3.971 2.284 3.737 1.00 1.03 C ATOM 0 H ILE A 59 -7.577 3.718 4.389 1.00 0.29 H new ATOM 0 HA ILE A 59 -5.779 6.039 4.464 1.00 0.37 H new ATOM 0 HB ILE A 59 -5.874 3.676 2.644 1.00 0.49 H new ATOM 0 HG12 ILE A 59 -3.793 4.144 4.814 1.00 0.80 H new ATOM 0 HG13 ILE A 59 -5.275 3.270 5.145 1.00 0.80 H new ATOM 0 HG21 ILE A 59 -3.533 4.367 2.023 1.00 0.69 H new ATOM 0 HG22 ILE A 59 -4.740 5.599 1.585 1.00 0.69 H new ATOM 0 HG23 ILE A 59 -3.724 5.823 3.028 1.00 0.69 H new ATOM 0 HD11 ILE A 59 -3.460 1.710 4.509 1.00 1.03 H new ATOM 0 HD12 ILE A 59 -4.763 1.677 3.298 1.00 1.03 H new ATOM 0 HD13 ILE A 59 -3.258 2.566 2.962 1.00 1.03 H new ATOM 941 N GLU A 60 -6.746 7.418 2.672 1.00 0.44 N ATOM 942 CA GLU A 60 -7.348 8.434 1.803 1.00 0.47 C ATOM 943 C GLU A 60 -6.279 9.326 1.136 1.00 0.34 C ATOM 944 O GLU A 60 -5.084 9.161 1.395 1.00 0.33 O ATOM 945 CB GLU A 60 -8.405 9.226 2.598 1.00 0.77 C ATOM 946 CG GLU A 60 -7.894 10.055 3.791 1.00 1.23 C ATOM 947 CD GLU A 60 -8.920 10.063 4.940 1.00 1.13 C ATOM 948 OE1 GLU A 60 -10.015 10.627 4.732 1.00 2.22 O ATOM 949 OE2 GLU A 60 -8.617 9.471 6.007 1.00 1.29 O ATOM 0 H GLU A 60 -6.014 7.814 3.261 1.00 0.44 H new ATOM 0 HA GLU A 60 -7.860 7.945 0.974 1.00 0.47 H new ATOM 0 HB2 GLU A 60 -8.915 9.899 1.909 1.00 0.77 H new ATOM 0 HB3 GLU A 60 -9.151 8.522 2.967 1.00 0.77 H new ATOM 0 HG2 GLU A 60 -6.949 9.643 4.146 1.00 1.23 H new ATOM 0 HG3 GLU A 60 -7.696 11.077 3.469 1.00 1.23 H new ATOM 956 N GLU A 61 -6.701 10.234 0.239 1.00 0.40 N ATOM 957 CA GLU A 61 -5.844 10.970 -0.716 1.00 0.45 C ATOM 958 C GLU A 61 -4.589 11.626 -0.105 1.00 0.44 C ATOM 959 O GLU A 61 -3.509 11.536 -0.696 1.00 0.45 O ATOM 960 CB GLU A 61 -6.685 11.938 -1.564 1.00 0.62 C ATOM 961 CG GLU A 61 -7.363 13.087 -0.798 1.00 1.39 C ATOM 962 CD GLU A 61 -6.809 14.447 -1.237 1.00 2.24 C ATOM 963 OE1 GLU A 61 -5.758 14.838 -0.685 1.00 3.51 O ATOM 964 OE2 GLU A 61 -7.433 15.063 -2.129 1.00 2.52 O ATOM 0 H GLU A 61 -7.685 10.487 0.153 1.00 0.40 H new ATOM 0 HA GLU A 61 -5.421 10.216 -1.379 1.00 0.45 H new ATOM 0 HB2 GLU A 61 -6.043 12.369 -2.333 1.00 0.62 H new ATOM 0 HB3 GLU A 61 -7.457 11.364 -2.077 1.00 0.62 H new ATOM 0 HG2 GLU A 61 -8.439 13.057 -0.969 1.00 1.39 H new ATOM 0 HG3 GLU A 61 -7.207 12.956 0.273 1.00 1.39 H new ATOM 971 N ASP A 62 -4.720 12.176 1.109 1.00 0.47 N ATOM 972 CA ASP A 62 -3.655 12.747 1.942 1.00 0.54 C ATOM 973 C ASP A 62 -2.473 11.784 2.135 1.00 0.48 C ATOM 974 O ASP A 62 -1.324 12.144 1.886 1.00 0.59 O ATOM 975 CB ASP A 62 -4.269 13.132 3.298 1.00 0.65 C ATOM 976 CG ASP A 62 -3.215 13.625 4.298 1.00 1.95 C ATOM 977 OD1 ASP A 62 -2.726 14.760 4.106 1.00 2.51 O ATOM 978 OD2 ASP A 62 -2.915 12.858 5.240 1.00 3.36 O ATOM 0 H ASP A 62 -5.631 12.238 1.564 1.00 0.47 H new ATOM 0 HA ASP A 62 -3.247 13.623 1.438 1.00 0.54 H new ATOM 0 HB2 ASP A 62 -5.016 13.912 3.147 1.00 0.65 H new ATOM 0 HB3 ASP A 62 -4.788 12.270 3.717 1.00 0.65 H new ATOM 983 N GLU A 63 -2.749 10.545 2.555 1.00 0.43 N ATOM 984 CA GLU A 63 -1.719 9.515 2.680 1.00 0.45 C ATOM 985 C GLU A 63 -1.337 8.995 1.306 1.00 0.37 C ATOM 986 O GLU A 63 -0.159 8.780 1.058 1.00 0.40 O ATOM 987 CB GLU A 63 -2.227 8.314 3.464 1.00 0.68 C ATOM 988 CG GLU A 63 -2.642 8.641 4.892 1.00 0.91 C ATOM 989 CD GLU A 63 -3.897 7.839 5.169 1.00 1.43 C ATOM 990 OE1 GLU A 63 -3.786 6.652 5.516 1.00 2.74 O ATOM 991 OE2 GLU A 63 -5.013 8.385 5.017 1.00 1.69 O ATOM 0 H GLU A 63 -3.684 10.232 2.815 1.00 0.43 H new ATOM 0 HA GLU A 63 -0.873 9.975 3.191 1.00 0.45 H new ATOM 0 HB2 GLU A 63 -3.079 7.883 2.938 1.00 0.68 H new ATOM 0 HB3 GLU A 63 -1.448 7.552 3.488 1.00 0.68 H new ATOM 0 HG2 GLU A 63 -1.851 8.380 5.595 1.00 0.91 H new ATOM 0 HG3 GLU A 63 -2.830 9.708 5.007 1.00 0.91 H new ATOM 998 N LEU A 64 -2.329 8.772 0.435 1.00 0.37 N ATOM 999 CA LEU A 64 -2.225 8.138 -0.876 1.00 0.43 C ATOM 1000 C LEU A 64 -1.097 8.709 -1.738 1.00 0.41 C ATOM 1001 O LEU A 64 -0.412 7.951 -2.418 1.00 0.54 O ATOM 1002 CB LEU A 64 -3.585 8.287 -1.575 1.00 0.58 C ATOM 1003 CG LEU A 64 -4.173 6.982 -2.099 1.00 0.53 C ATOM 1004 CD1 LEU A 64 -4.670 6.079 -0.976 1.00 0.96 C ATOM 1005 CD2 LEU A 64 -5.339 7.292 -3.034 1.00 1.31 C ATOM 0 H LEU A 64 -3.287 9.050 0.646 1.00 0.37 H new ATOM 0 HA LEU A 64 -1.970 7.087 -0.736 1.00 0.43 H new ATOM 0 HB2 LEU A 64 -4.292 8.734 -0.876 1.00 0.58 H new ATOM 0 HB3 LEU A 64 -3.477 8.982 -2.407 1.00 0.58 H new ATOM 0 HG LEU A 64 -3.378 6.455 -2.627 1.00 0.53 H new ATOM 0 HD11 LEU A 64 -5.080 5.162 -1.400 1.00 0.96 H new ATOM 0 HD12 LEU A 64 -3.841 5.833 -0.313 1.00 0.96 H new ATOM 0 HD13 LEU A 64 -5.446 6.595 -0.410 1.00 0.96 H new ATOM 0 HD21 LEU A 64 -5.761 6.360 -3.410 1.00 1.31 H new ATOM 0 HD22 LEU A 64 -6.105 7.844 -2.490 1.00 1.31 H new ATOM 0 HD23 LEU A 64 -4.984 7.894 -3.871 1.00 1.31 H new ATOM 1017 N GLY A 65 -0.864 10.023 -1.658 1.00 0.35 N ATOM 1018 CA GLY A 65 0.295 10.679 -2.270 1.00 0.37 C ATOM 1019 C GLY A 65 1.659 10.073 -1.885 1.00 0.33 C ATOM 1020 O GLY A 65 2.549 10.013 -2.726 1.00 0.38 O ATOM 0 H GLY A 65 -1.481 10.667 -1.162 1.00 0.35 H new ATOM 0 HA2 GLY A 65 0.188 10.638 -3.354 1.00 0.37 H new ATOM 0 HA3 GLY A 65 0.289 11.732 -1.989 1.00 0.37 H new ATOM 1024 N PHE A 66 1.846 9.618 -0.639 1.00 0.36 N ATOM 1025 CA PHE A 66 3.120 9.117 -0.093 1.00 0.42 C ATOM 1026 C PHE A 66 2.902 7.989 0.944 1.00 0.51 C ATOM 1027 O PHE A 66 3.574 7.888 1.974 1.00 0.75 O ATOM 1028 CB PHE A 66 3.989 10.295 0.399 1.00 0.45 C ATOM 1029 CG PHE A 66 3.318 11.286 1.336 1.00 0.63 C ATOM 1030 CD1 PHE A 66 2.467 12.279 0.814 1.00 1.92 C ATOM 1031 CD2 PHE A 66 3.567 11.246 2.722 1.00 1.26 C ATOM 1032 CE1 PHE A 66 1.808 13.173 1.672 1.00 2.23 C ATOM 1033 CE2 PHE A 66 2.916 12.149 3.583 1.00 1.30 C ATOM 1034 CZ PHE A 66 2.022 13.100 3.058 1.00 1.33 C ATOM 0 H PHE A 66 1.088 9.586 0.043 1.00 0.36 H new ATOM 0 HA PHE A 66 3.689 8.636 -0.888 1.00 0.42 H new ATOM 0 HB2 PHE A 66 4.864 9.886 0.904 1.00 0.45 H new ATOM 0 HB3 PHE A 66 4.350 10.840 -0.473 1.00 0.45 H new ATOM 0 HD1 PHE A 66 2.320 12.353 -0.253 1.00 1.92 H new ATOM 0 HD2 PHE A 66 4.259 10.521 3.125 1.00 1.26 H new ATOM 0 HE1 PHE A 66 1.137 13.916 1.267 1.00 2.23 H new ATOM 0 HE2 PHE A 66 3.103 12.112 4.646 1.00 1.30 H new ATOM 0 HZ PHE A 66 1.500 13.774 3.721 1.00 1.33 H new ATOM 1044 N ILE A 67 1.960 7.092 0.645 1.00 0.44 N ATOM 1045 CA ILE A 67 1.617 5.830 1.311 1.00 0.39 C ATOM 1046 C ILE A 67 2.866 4.968 1.489 1.00 0.39 C ATOM 1047 O ILE A 67 3.081 4.392 2.557 1.00 0.37 O ATOM 1048 CB ILE A 67 0.467 5.195 0.480 1.00 0.50 C ATOM 1049 CG1 ILE A 67 -0.018 3.834 0.997 1.00 1.02 C ATOM 1050 CG2 ILE A 67 0.736 5.093 -1.030 1.00 1.12 C ATOM 1051 CD1 ILE A 67 0.794 2.624 0.522 1.00 0.63 C ATOM 0 H ILE A 67 1.351 7.248 -0.158 1.00 0.44 H new ATOM 0 HA ILE A 67 1.253 5.962 2.330 1.00 0.39 H new ATOM 0 HB ILE A 67 -0.332 5.922 0.628 1.00 0.50 H new ATOM 0 HG12 ILE A 67 -0.006 3.853 2.087 1.00 1.02 H new ATOM 0 HG13 ILE A 67 -1.055 3.697 0.692 1.00 1.02 H new ATOM 0 HG21 ILE A 67 -0.123 4.637 -1.523 1.00 1.12 H new ATOM 0 HG22 ILE A 67 0.902 6.090 -1.438 1.00 1.12 H new ATOM 0 HG23 ILE A 67 1.620 4.479 -1.201 1.00 1.12 H new ATOM 0 HD11 ILE A 67 0.369 1.713 0.943 1.00 0.63 H new ATOM 0 HD12 ILE A 67 0.763 2.569 -0.566 1.00 0.63 H new ATOM 0 HD13 ILE A 67 1.828 2.728 0.851 1.00 0.63 H new ATOM 1063 N LEU A 68 3.746 4.970 0.482 1.00 0.48 N ATOM 1064 CA LEU A 68 4.981 4.198 0.450 1.00 0.50 C ATOM 1065 C LEU A 68 5.897 4.459 1.649 1.00 0.40 C ATOM 1066 O LEU A 68 6.620 3.551 2.061 1.00 0.40 O ATOM 1067 CB LEU A 68 5.739 4.480 -0.856 1.00 0.69 C ATOM 1068 CG LEU A 68 4.944 4.335 -2.161 1.00 1.10 C ATOM 1069 CD1 LEU A 68 5.934 4.494 -3.314 1.00 1.15 C ATOM 1070 CD2 LEU A 68 4.248 2.986 -2.236 1.00 2.00 C ATOM 0 H LEU A 68 3.608 5.530 -0.359 1.00 0.48 H new ATOM 0 HA LEU A 68 4.691 3.149 0.504 1.00 0.50 H new ATOM 0 HB2 LEU A 68 6.132 5.496 -0.808 1.00 0.69 H new ATOM 0 HB3 LEU A 68 6.596 3.808 -0.904 1.00 0.69 H new ATOM 0 HG LEU A 68 4.164 5.094 -2.212 1.00 1.10 H new ATOM 0 HD11 LEU A 68 5.406 4.397 -4.263 1.00 1.15 H new ATOM 0 HD12 LEU A 68 6.403 5.476 -3.258 1.00 1.15 H new ATOM 0 HD13 LEU A 68 6.700 3.722 -3.245 1.00 1.15 H new ATOM 0 HD21 LEU A 68 3.694 2.914 -3.172 1.00 2.00 H new ATOM 0 HD22 LEU A 68 4.991 2.190 -2.193 1.00 2.00 H new ATOM 0 HD23 LEU A 68 3.559 2.885 -1.397 1.00 2.00 H new ATOM 1082 N LYS A 69 5.830 5.660 2.247 1.00 0.40 N ATOM 1083 CA LYS A 69 6.618 6.035 3.430 1.00 0.47 C ATOM 1084 C LYS A 69 6.307 5.171 4.659 1.00 0.47 C ATOM 1085 O LYS A 69 7.099 5.171 5.597 1.00 0.62 O ATOM 1086 CB LYS A 69 6.468 7.545 3.717 1.00 0.64 C ATOM 1087 CG LYS A 69 7.802 8.307 3.670 1.00 0.69 C ATOM 1088 CD LYS A 69 8.700 8.052 4.890 1.00 1.74 C ATOM 1089 CE LYS A 69 10.084 8.698 4.740 1.00 1.87 C ATOM 1090 NZ LYS A 69 10.013 10.167 4.551 1.00 2.04 N ATOM 0 H LYS A 69 5.219 6.407 1.917 1.00 0.40 H new ATOM 0 HA LYS A 69 7.665 5.835 3.202 1.00 0.47 H new ATOM 0 HB2 LYS A 69 5.783 7.980 2.989 1.00 0.64 H new ATOM 0 HB3 LYS A 69 6.016 7.678 4.700 1.00 0.64 H new ATOM 0 HG2 LYS A 69 8.342 8.023 2.767 1.00 0.69 H new ATOM 0 HG3 LYS A 69 7.598 9.375 3.596 1.00 0.69 H new ATOM 0 HD2 LYS A 69 8.214 8.443 5.784 1.00 1.74 H new ATOM 0 HD3 LYS A 69 8.817 6.978 5.034 1.00 1.74 H new ATOM 0 HE2 LYS A 69 10.681 8.478 5.625 1.00 1.87 H new ATOM 0 HE3 LYS A 69 10.599 8.251 3.890 1.00 1.87 H new ATOM 0 HZ1 LYS A 69 10.975 10.562 4.540 1.00 2.04 H new ATOM 0 HZ2 LYS A 69 9.541 10.379 3.649 1.00 2.04 H new ATOM 0 HZ3 LYS A 69 9.473 10.592 5.332 1.00 2.04 H new ATOM 1104 N GLY A 70 5.207 4.405 4.644 1.00 0.39 N ATOM 1105 CA GLY A 70 4.953 3.365 5.640 1.00 0.43 C ATOM 1106 C GLY A 70 5.571 2.006 5.307 1.00 0.48 C ATOM 1107 O GLY A 70 5.892 1.255 6.224 1.00 0.79 O ATOM 0 H GLY A 70 4.473 4.492 3.941 1.00 0.39 H new ATOM 0 HA2 GLY A 70 5.339 3.700 6.603 1.00 0.43 H new ATOM 0 HA3 GLY A 70 3.876 3.243 5.753 1.00 0.43 H new ATOM 1111 N PHE A 71 5.793 1.685 4.026 1.00 0.36 N ATOM 1112 CA PHE A 71 6.546 0.484 3.666 1.00 0.39 C ATOM 1113 C PHE A 71 8.046 0.663 3.926 1.00 0.39 C ATOM 1114 O PHE A 71 8.692 -0.313 4.306 1.00 0.55 O ATOM 1115 CB PHE A 71 6.295 0.079 2.206 1.00 0.42 C ATOM 1116 CG PHE A 71 4.851 -0.228 1.843 1.00 0.59 C ATOM 1117 CD1 PHE A 71 4.099 -1.166 2.581 1.00 1.33 C ATOM 1118 CD2 PHE A 71 4.270 0.390 0.722 1.00 1.88 C ATOM 1119 CE1 PHE A 71 2.773 -1.460 2.211 1.00 1.35 C ATOM 1120 CE2 PHE A 71 2.940 0.113 0.367 1.00 2.16 C ATOM 1121 CZ PHE A 71 2.190 -0.815 1.108 1.00 1.24 C ATOM 0 H PHE A 71 5.465 2.235 3.232 1.00 0.36 H new ATOM 0 HA PHE A 71 6.187 -0.322 4.306 1.00 0.39 H new ATOM 0 HB2 PHE A 71 6.649 0.882 1.560 1.00 0.42 H new ATOM 0 HB3 PHE A 71 6.900 -0.800 1.983 1.00 0.42 H new ATOM 0 HD1 PHE A 71 4.542 -1.660 3.433 1.00 1.33 H new ATOM 0 HD2 PHE A 71 4.850 1.082 0.130 1.00 1.88 H new ATOM 0 HE1 PHE A 71 2.203 -2.183 2.776 1.00 1.35 H new ATOM 0 HE2 PHE A 71 2.493 0.615 -0.478 1.00 2.16 H new ATOM 0 HZ PHE A 71 1.169 -1.032 0.831 1.00 1.24 H new ATOM 1131 N SER A 72 8.616 1.869 3.735 1.00 0.34 N ATOM 1132 CA SER A 72 10.036 2.174 3.983 1.00 0.36 C ATOM 1133 C SER A 72 10.397 3.623 3.628 1.00 0.46 C ATOM 1134 O SER A 72 9.589 4.325 3.019 1.00 0.52 O ATOM 1135 CB SER A 72 10.896 1.239 3.125 1.00 0.43 C ATOM 1136 OG SER A 72 11.151 0.065 3.856 1.00 0.81 O ATOM 0 H SER A 72 8.089 2.674 3.397 1.00 0.34 H new ATOM 0 HA SER A 72 10.222 2.033 5.048 1.00 0.36 H new ATOM 0 HB2 SER A 72 10.382 1.000 2.194 1.00 0.43 H new ATOM 0 HB3 SER A 72 11.832 1.728 2.856 1.00 0.43 H new ATOM 0 HG SER A 72 10.328 -0.462 3.926 1.00 0.81 H new ATOM 1142 N PRO A 73 11.627 4.082 3.936 1.00 0.50 N ATOM 1143 CA PRO A 73 12.200 5.261 3.295 1.00 0.54 C ATOM 1144 C PRO A 73 12.439 5.039 1.789 1.00 0.54 C ATOM 1145 O PRO A 73 12.369 3.927 1.274 1.00 0.54 O ATOM 1146 CB PRO A 73 13.498 5.543 4.060 1.00 0.55 C ATOM 1147 CG PRO A 73 13.924 4.160 4.548 1.00 0.53 C ATOM 1148 CD PRO A 73 12.593 3.477 4.847 1.00 0.54 C ATOM 0 HA PRO A 73 11.523 6.114 3.338 1.00 0.54 H new ATOM 0 HB2 PRO A 73 14.254 5.994 3.417 1.00 0.55 H new ATOM 0 HB3 PRO A 73 13.335 6.230 4.890 1.00 0.55 H new ATOM 0 HG2 PRO A 73 14.492 3.622 3.790 1.00 0.53 H new ATOM 0 HG3 PRO A 73 14.554 4.221 5.435 1.00 0.53 H new ATOM 0 HD2 PRO A 73 12.661 2.401 4.688 1.00 0.54 H new ATOM 0 HD3 PRO A 73 12.300 3.628 5.886 1.00 0.54 H new ATOM 1156 N ASP A 74 12.677 6.144 1.080 1.00 0.58 N ATOM 1157 CA ASP A 74 12.833 6.293 -0.378 1.00 0.63 C ATOM 1158 C ASP A 74 11.656 5.796 -1.239 1.00 0.55 C ATOM 1159 O ASP A 74 11.702 5.862 -2.460 1.00 0.68 O ATOM 1160 CB ASP A 74 14.223 5.834 -0.862 1.00 1.04 C ATOM 1161 CG ASP A 74 14.812 6.796 -1.908 1.00 1.78 C ATOM 1162 OD1 ASP A 74 14.629 8.030 -1.746 1.00 2.92 O ATOM 1163 OD2 ASP A 74 15.482 6.315 -2.846 1.00 2.45 O ATOM 0 H ASP A 74 12.775 7.044 1.551 1.00 0.58 H new ATOM 0 HA ASP A 74 12.786 7.368 -0.552 1.00 0.63 H new ATOM 0 HB2 ASP A 74 14.900 5.765 -0.010 1.00 1.04 H new ATOM 0 HB3 ASP A 74 14.147 4.834 -1.290 1.00 1.04 H new ATOM 1168 N ALA A 75 10.558 5.429 -0.575 1.00 0.69 N ATOM 1169 CA ALA A 75 9.162 5.675 -0.913 1.00 0.63 C ATOM 1170 C ALA A 75 8.902 6.730 -2.005 1.00 0.80 C ATOM 1171 O ALA A 75 8.478 6.382 -3.103 1.00 1.73 O ATOM 1172 CB ALA A 75 8.521 6.105 0.410 1.00 0.64 C ATOM 0 H ALA A 75 10.636 4.902 0.295 1.00 0.69 H new ATOM 0 HA ALA A 75 8.741 4.770 -1.352 1.00 0.63 H new ATOM 0 HB1 ALA A 75 7.463 6.312 0.251 1.00 0.64 H new ATOM 0 HB2 ALA A 75 8.628 5.305 1.143 1.00 0.64 H new ATOM 0 HB3 ALA A 75 9.015 7.004 0.779 1.00 0.64 H new ATOM 1178 N ARG A 76 9.137 8.012 -1.678 1.00 0.67 N ATOM 1179 CA ARG A 76 8.806 9.214 -2.468 1.00 0.63 C ATOM 1180 C ARG A 76 7.293 9.404 -2.664 1.00 0.59 C ATOM 1181 O ARG A 76 6.471 8.670 -2.110 1.00 0.76 O ATOM 1182 CB ARG A 76 9.589 9.295 -3.808 1.00 0.74 C ATOM 1183 CG ARG A 76 10.847 8.419 -3.881 1.00 0.74 C ATOM 1184 CD ARG A 76 11.920 8.891 -4.864 1.00 1.02 C ATOM 1185 NE ARG A 76 12.989 9.576 -4.119 1.00 1.67 N ATOM 1186 CZ ARG A 76 14.269 9.664 -4.432 1.00 2.09 C ATOM 1187 NH1 ARG A 76 14.716 9.457 -5.645 1.00 2.53 N ATOM 1188 NH2 ARG A 76 15.128 9.936 -3.486 1.00 2.78 N ATOM 0 H ARG A 76 9.593 8.254 -0.798 1.00 0.67 H new ATOM 0 HA ARG A 76 9.144 10.058 -1.867 1.00 0.63 H new ATOM 0 HB2 ARG A 76 8.920 9.011 -4.620 1.00 0.74 H new ATOM 0 HB3 ARG A 76 9.877 10.332 -3.981 1.00 0.74 H new ATOM 0 HG2 ARG A 76 11.289 8.364 -2.886 1.00 0.74 H new ATOM 0 HG3 ARG A 76 10.549 7.407 -4.154 1.00 0.74 H new ATOM 0 HD2 ARG A 76 12.328 8.041 -5.411 1.00 1.02 H new ATOM 0 HD3 ARG A 76 11.484 9.565 -5.601 1.00 1.02 H new ATOM 0 HE ARG A 76 12.707 10.039 -3.255 1.00 1.67 H new ATOM 0 HH11 ARG A 76 14.066 9.217 -6.394 1.00 2.53 H new ATOM 0 HH12 ARG A 76 15.714 9.536 -5.841 1.00 2.53 H new ATOM 0 HH21 ARG A 76 14.805 10.076 -2.529 1.00 2.78 H new ATOM 0 HH22 ARG A 76 16.122 10.009 -3.705 1.00 2.78 H new ATOM 1202 N ASP A 77 6.944 10.452 -3.407 1.00 0.54 N ATOM 1203 CA ASP A 77 5.577 10.813 -3.765 1.00 0.57 C ATOM 1204 C ASP A 77 5.144 10.090 -5.053 1.00 0.62 C ATOM 1205 O ASP A 77 5.801 10.201 -6.089 1.00 0.75 O ATOM 1206 CB ASP A 77 5.486 12.337 -3.919 1.00 0.60 C ATOM 1207 CG ASP A 77 6.023 13.047 -2.671 1.00 2.14 C ATOM 1208 OD1 ASP A 77 5.271 13.110 -1.674 1.00 3.54 O ATOM 1209 OD2 ASP A 77 7.200 13.471 -2.719 1.00 2.91 O ATOM 0 H ASP A 77 7.634 11.098 -3.791 1.00 0.54 H new ATOM 0 HA ASP A 77 4.895 10.498 -2.975 1.00 0.57 H new ATOM 0 HB2 ASP A 77 6.054 12.652 -4.794 1.00 0.60 H new ATOM 0 HB3 ASP A 77 4.450 12.628 -4.090 1.00 0.60 H new ATOM 1214 N LEU A 78 4.038 9.344 -4.977 1.00 0.54 N ATOM 1215 CA LEU A 78 3.337 8.746 -6.122 1.00 0.55 C ATOM 1216 C LEU A 78 2.812 9.804 -7.111 1.00 0.51 C ATOM 1217 O LEU A 78 2.652 10.979 -6.775 1.00 0.58 O ATOM 1218 CB LEU A 78 2.154 7.886 -5.629 1.00 0.59 C ATOM 1219 CG LEU A 78 2.518 6.647 -4.790 1.00 0.76 C ATOM 1220 CD1 LEU A 78 1.277 5.767 -4.605 1.00 1.15 C ATOM 1221 CD2 LEU A 78 3.595 5.795 -5.461 1.00 1.35 C ATOM 0 H LEU A 78 3.589 9.131 -4.086 1.00 0.54 H new ATOM 0 HA LEU A 78 4.064 8.127 -6.648 1.00 0.55 H new ATOM 0 HB2 LEU A 78 1.494 8.519 -5.036 1.00 0.59 H new ATOM 0 HB3 LEU A 78 1.584 7.556 -6.498 1.00 0.59 H new ATOM 0 HG LEU A 78 2.896 7.009 -3.834 1.00 0.76 H new ATOM 0 HD11 LEU A 78 1.537 4.891 -4.011 1.00 1.15 H new ATOM 0 HD12 LEU A 78 0.501 6.335 -4.092 1.00 1.15 H new ATOM 0 HD13 LEU A 78 0.909 5.448 -5.580 1.00 1.15 H new ATOM 0 HD21 LEU A 78 3.820 4.932 -4.834 1.00 1.35 H new ATOM 0 HD22 LEU A 78 3.236 5.454 -6.432 1.00 1.35 H new ATOM 0 HD23 LEU A 78 4.498 6.390 -5.596 1.00 1.35 H new ATOM 1233 N SER A 79 2.481 9.375 -8.338 1.00 0.57 N ATOM 1234 CA SER A 79 1.863 10.270 -9.329 1.00 0.56 C ATOM 1235 C SER A 79 0.421 10.646 -8.961 1.00 0.44 C ATOM 1236 O SER A 79 -0.322 9.866 -8.366 1.00 0.44 O ATOM 1237 CB SER A 79 1.936 9.631 -10.719 1.00 0.66 C ATOM 1238 OG SER A 79 1.157 10.317 -11.684 1.00 1.17 O ATOM 0 H SER A 79 2.629 8.421 -8.667 1.00 0.57 H new ATOM 0 HA SER A 79 2.427 11.203 -9.336 1.00 0.56 H new ATOM 0 HB2 SER A 79 2.975 9.608 -11.048 1.00 0.66 H new ATOM 0 HB3 SER A 79 1.598 8.597 -10.656 1.00 0.66 H new ATOM 0 HG SER A 79 1.241 9.869 -12.551 1.00 1.17 H new ATOM 1244 N ALA A 80 -0.024 11.826 -9.410 1.00 0.47 N ATOM 1245 CA ALA A 80 -1.423 12.237 -9.323 1.00 0.47 C ATOM 1246 C ALA A 80 -2.363 11.273 -10.074 1.00 0.42 C ATOM 1247 O ALA A 80 -3.474 11.017 -9.609 1.00 0.49 O ATOM 1248 CB ALA A 80 -1.551 13.666 -9.862 1.00 0.59 C ATOM 0 H ALA A 80 0.582 12.522 -9.845 1.00 0.47 H new ATOM 0 HA ALA A 80 -1.731 12.207 -8.278 1.00 0.47 H new ATOM 0 HB1 ALA A 80 -2.591 13.985 -9.803 1.00 0.59 H new ATOM 0 HB2 ALA A 80 -0.931 14.336 -9.267 1.00 0.59 H new ATOM 0 HB3 ALA A 80 -1.222 13.694 -10.901 1.00 0.59 H new ATOM 1254 N LYS A 81 -1.907 10.705 -11.206 1.00 0.40 N ATOM 1255 CA LYS A 81 -2.634 9.656 -11.942 1.00 0.43 C ATOM 1256 C LYS A 81 -2.781 8.395 -11.090 1.00 0.43 C ATOM 1257 O LYS A 81 -3.865 7.822 -11.008 1.00 0.49 O ATOM 1258 CB LYS A 81 -1.911 9.292 -13.252 1.00 0.56 C ATOM 1259 CG LYS A 81 -1.615 10.449 -14.212 1.00 0.56 C ATOM 1260 CD LYS A 81 -2.852 11.288 -14.556 1.00 1.59 C ATOM 1261 CE LYS A 81 -2.516 12.219 -15.727 1.00 1.78 C ATOM 1262 NZ LYS A 81 -3.591 13.207 -15.971 1.00 2.87 N ATOM 0 H LYS A 81 -1.019 10.963 -11.637 1.00 0.40 H new ATOM 0 HA LYS A 81 -3.621 10.054 -12.177 1.00 0.43 H new ATOM 0 HB2 LYS A 81 -0.967 8.809 -12.998 1.00 0.56 H new ATOM 0 HB3 LYS A 81 -2.514 8.555 -13.782 1.00 0.56 H new ATOM 0 HG2 LYS A 81 -0.859 11.096 -13.767 1.00 0.56 H new ATOM 0 HG3 LYS A 81 -1.190 10.048 -15.132 1.00 0.56 H new ATOM 0 HD2 LYS A 81 -3.686 10.638 -14.820 1.00 1.59 H new ATOM 0 HD3 LYS A 81 -3.164 11.871 -13.689 1.00 1.59 H new ATOM 0 HE2 LYS A 81 -1.582 12.742 -15.519 1.00 1.78 H new ATOM 0 HE3 LYS A 81 -2.356 11.627 -16.628 1.00 1.78 H new ATOM 0 HZ1 LYS A 81 -3.326 13.818 -16.770 1.00 2.87 H new ATOM 0 HZ2 LYS A 81 -4.476 12.709 -16.194 1.00 2.87 H new ATOM 0 HZ3 LYS A 81 -3.727 13.790 -15.120 1.00 2.87 H new ATOM 1276 N GLU A 82 -1.700 8.047 -10.393 1.00 0.45 N ATOM 1277 CA GLU A 82 -1.612 6.908 -9.494 1.00 0.46 C ATOM 1278 C GLU A 82 -2.605 7.083 -8.356 1.00 0.42 C ATOM 1279 O GLU A 82 -3.489 6.251 -8.219 1.00 0.46 O ATOM 1280 CB GLU A 82 -0.171 6.794 -9.000 1.00 0.51 C ATOM 1281 CG GLU A 82 0.278 5.366 -8.700 1.00 0.77 C ATOM 1282 CD GLU A 82 1.808 5.251 -8.638 1.00 1.66 C ATOM 1283 OE1 GLU A 82 2.498 6.259 -8.951 1.00 2.88 O ATOM 1284 OE2 GLU A 82 2.266 4.129 -8.331 1.00 2.44 O ATOM 0 H GLU A 82 -0.829 8.575 -10.445 1.00 0.45 H new ATOM 0 HA GLU A 82 -1.871 5.980 -10.005 1.00 0.46 H new ATOM 0 HB2 GLU A 82 0.493 7.221 -9.751 1.00 0.51 H new ATOM 0 HB3 GLU A 82 -0.060 7.395 -8.097 1.00 0.51 H new ATOM 0 HG2 GLU A 82 -0.150 5.042 -7.751 1.00 0.77 H new ATOM 0 HG3 GLU A 82 -0.106 4.695 -9.468 1.00 0.77 H new ATOM 1291 N THR A 83 -2.539 8.202 -7.623 1.00 0.39 N ATOM 1292 CA THR A 83 -3.529 8.605 -6.614 1.00 0.41 C ATOM 1293 C THR A 83 -4.963 8.517 -7.149 1.00 0.41 C ATOM 1294 O THR A 83 -5.806 7.895 -6.500 1.00 0.48 O ATOM 1295 CB THR A 83 -3.191 10.009 -6.083 1.00 0.51 C ATOM 1296 OG1 THR A 83 -2.018 9.912 -5.313 1.00 1.51 O ATOM 1297 CG2 THR A 83 -4.259 10.637 -5.184 1.00 1.53 C ATOM 0 H THR A 83 -1.775 8.871 -7.718 1.00 0.39 H new ATOM 0 HA THR A 83 -3.478 7.904 -5.781 1.00 0.41 H new ATOM 0 HB THR A 83 -3.098 10.646 -6.963 1.00 0.51 H new ATOM 0 HG1 THR A 83 -1.781 10.797 -4.965 1.00 1.51 H new ATOM 0 HG21 THR A 83 -3.928 11.624 -4.861 1.00 1.53 H new ATOM 0 HG22 THR A 83 -5.193 10.731 -5.739 1.00 1.53 H new ATOM 0 HG23 THR A 83 -4.418 10.004 -4.311 1.00 1.53 H new ATOM 1305 N LYS A 84 -5.242 9.084 -8.336 1.00 0.43 N ATOM 1306 CA LYS A 84 -6.556 9.025 -8.998 1.00 0.52 C ATOM 1307 C LYS A 84 -7.048 7.581 -9.166 1.00 0.50 C ATOM 1308 O LYS A 84 -8.146 7.255 -8.714 1.00 0.60 O ATOM 1309 CB LYS A 84 -6.488 9.757 -10.352 1.00 0.58 C ATOM 1310 CG LYS A 84 -7.866 10.036 -10.969 1.00 1.32 C ATOM 1311 CD LYS A 84 -7.733 10.259 -12.485 1.00 1.74 C ATOM 1312 CE LYS A 84 -9.013 10.842 -13.096 1.00 2.34 C ATOM 1313 NZ LYS A 84 -9.152 12.288 -12.797 1.00 2.02 N ATOM 0 H LYS A 84 -4.548 9.605 -8.871 1.00 0.43 H new ATOM 0 HA LYS A 84 -7.284 9.528 -8.361 1.00 0.52 H new ATOM 0 HB2 LYS A 84 -5.961 10.702 -10.219 1.00 0.58 H new ATOM 0 HB3 LYS A 84 -5.901 9.160 -11.050 1.00 0.58 H new ATOM 0 HG2 LYS A 84 -8.536 9.199 -10.775 1.00 1.32 H new ATOM 0 HG3 LYS A 84 -8.311 10.915 -10.502 1.00 1.32 H new ATOM 0 HD2 LYS A 84 -6.899 10.933 -12.680 1.00 1.74 H new ATOM 0 HD3 LYS A 84 -7.498 9.312 -12.971 1.00 1.74 H new ATOM 0 HE2 LYS A 84 -9.002 10.693 -14.176 1.00 2.34 H new ATOM 0 HE3 LYS A 84 -9.879 10.305 -12.709 1.00 2.34 H new ATOM 0 HZ1 LYS A 84 -10.028 12.648 -13.226 1.00 2.02 H new ATOM 0 HZ2 LYS A 84 -9.187 12.428 -11.767 1.00 2.02 H new ATOM 0 HZ3 LYS A 84 -8.338 12.803 -13.188 1.00 2.02 H new ATOM 1327 N MET A 85 -6.256 6.722 -9.819 1.00 0.43 N ATOM 1328 CA MET A 85 -6.630 5.323 -10.048 1.00 0.48 C ATOM 1329 C MET A 85 -6.660 4.511 -8.751 1.00 0.54 C ATOM 1330 O MET A 85 -7.574 3.718 -8.568 1.00 0.64 O ATOM 1331 CB MET A 85 -5.703 4.663 -11.088 1.00 0.49 C ATOM 1332 CG MET A 85 -6.532 4.112 -12.253 1.00 1.18 C ATOM 1333 SD MET A 85 -5.578 3.188 -13.484 1.00 1.79 S ATOM 1334 CE MET A 85 -6.891 2.838 -14.683 1.00 2.37 C ATOM 0 H MET A 85 -5.345 6.975 -10.201 1.00 0.43 H new ATOM 0 HA MET A 85 -7.644 5.328 -10.447 1.00 0.48 H new ATOM 0 HB2 MET A 85 -4.980 5.391 -11.457 1.00 0.49 H new ATOM 0 HB3 MET A 85 -5.135 3.858 -10.622 1.00 0.49 H new ATOM 0 HG2 MET A 85 -7.310 3.462 -11.853 1.00 1.18 H new ATOM 0 HG3 MET A 85 -7.034 4.942 -12.750 1.00 1.18 H new ATOM 0 HE1 MET A 85 -6.480 2.270 -15.517 1.00 2.37 H new ATOM 0 HE2 MET A 85 -7.678 2.258 -14.202 1.00 2.37 H new ATOM 0 HE3 MET A 85 -7.306 3.776 -15.052 1.00 2.37 H new ATOM 1344 N LEU A 86 -5.705 4.723 -7.843 1.00 0.53 N ATOM 1345 CA LEU A 86 -5.575 4.072 -6.542 1.00 0.62 C ATOM 1346 C LEU A 86 -6.790 4.324 -5.650 1.00 0.66 C ATOM 1347 O LEU A 86 -7.345 3.371 -5.101 1.00 0.79 O ATOM 1348 CB LEU A 86 -4.265 4.565 -5.900 1.00 0.67 C ATOM 1349 CG LEU A 86 -3.926 4.039 -4.499 1.00 0.95 C ATOM 1350 CD1 LEU A 86 -4.107 2.529 -4.414 1.00 1.89 C ATOM 1351 CD2 LEU A 86 -2.467 4.396 -4.192 1.00 1.62 C ATOM 0 H LEU A 86 -4.957 5.396 -8.009 1.00 0.53 H new ATOM 0 HA LEU A 86 -5.536 2.990 -6.670 1.00 0.62 H new ATOM 0 HB2 LEU A 86 -3.443 4.303 -6.567 1.00 0.67 H new ATOM 0 HB3 LEU A 86 -4.302 5.653 -5.852 1.00 0.67 H new ATOM 0 HG LEU A 86 -4.600 4.497 -3.775 1.00 0.95 H new ATOM 0 HD11 LEU A 86 -3.859 2.189 -3.409 1.00 1.89 H new ATOM 0 HD12 LEU A 86 -5.143 2.274 -4.638 1.00 1.89 H new ATOM 0 HD13 LEU A 86 -3.449 2.043 -5.134 1.00 1.89 H new ATOM 0 HD21 LEU A 86 -2.204 4.031 -3.199 1.00 1.62 H new ATOM 0 HD22 LEU A 86 -1.815 3.933 -4.933 1.00 1.62 H new ATOM 0 HD23 LEU A 86 -2.343 5.478 -4.225 1.00 1.62 H new ATOM 1363 N MET A 87 -7.233 5.582 -5.541 1.00 0.61 N ATOM 1364 CA MET A 87 -8.427 5.954 -4.782 1.00 0.73 C ATOM 1365 C MET A 87 -9.646 5.135 -5.228 1.00 0.80 C ATOM 1366 O MET A 87 -10.344 4.576 -4.387 1.00 1.05 O ATOM 1367 CB MET A 87 -8.656 7.466 -4.929 1.00 0.79 C ATOM 1368 CG MET A 87 -9.875 7.958 -4.147 1.00 1.26 C ATOM 1369 SD MET A 87 -10.095 9.754 -4.235 1.00 1.77 S ATOM 1370 CE MET A 87 -11.733 9.888 -3.478 1.00 2.55 C ATOM 0 H MET A 87 -6.767 6.375 -5.982 1.00 0.61 H new ATOM 0 HA MET A 87 -8.279 5.725 -3.727 1.00 0.73 H new ATOM 0 HB2 MET A 87 -7.770 7.999 -4.585 1.00 0.79 H new ATOM 0 HB3 MET A 87 -8.784 7.709 -5.984 1.00 0.79 H new ATOM 0 HG2 MET A 87 -10.769 7.469 -4.533 1.00 1.26 H new ATOM 0 HG3 MET A 87 -9.774 7.661 -3.103 1.00 1.26 H new ATOM 0 HE1 MET A 87 -12.035 10.935 -3.447 1.00 2.55 H new ATOM 0 HE2 MET A 87 -12.453 9.319 -4.066 1.00 2.55 H new ATOM 0 HE3 MET A 87 -11.699 9.491 -2.464 1.00 2.55 H new ATOM 1380 N ALA A 88 -9.871 5.033 -6.544 1.00 0.64 N ATOM 1381 CA ALA A 88 -10.949 4.241 -7.131 1.00 0.64 C ATOM 1382 C ALA A 88 -10.720 2.721 -7.005 1.00 0.61 C ATOM 1383 O ALA A 88 -11.564 2.006 -6.472 1.00 0.72 O ATOM 1384 CB ALA A 88 -11.099 4.666 -8.598 1.00 0.66 C ATOM 0 H ALA A 88 -9.296 5.509 -7.240 1.00 0.64 H new ATOM 0 HA ALA A 88 -11.869 4.435 -6.580 1.00 0.64 H new ATOM 0 HB1 ALA A 88 -11.899 4.090 -9.064 1.00 0.66 H new ATOM 0 HB2 ALA A 88 -11.341 5.728 -8.646 1.00 0.66 H new ATOM 0 HB3 ALA A 88 -10.164 4.482 -9.127 1.00 0.66 H new ATOM 1390 N ALA A 89 -9.603 2.214 -7.537 1.00 0.62 N ATOM 1391 CA ALA A 89 -9.324 0.789 -7.682 1.00 0.68 C ATOM 1392 C ALA A 89 -8.993 0.087 -6.360 1.00 0.58 C ATOM 1393 O ALA A 89 -9.207 -1.116 -6.270 1.00 0.73 O ATOM 1394 CB ALA A 89 -8.178 0.606 -8.684 1.00 0.89 C ATOM 0 H ALA A 89 -8.849 2.804 -7.888 1.00 0.62 H new ATOM 0 HA ALA A 89 -10.237 0.317 -8.046 1.00 0.68 H new ATOM 0 HB1 ALA A 89 -7.962 -0.456 -8.799 1.00 0.89 H new ATOM 0 HB2 ALA A 89 -8.467 1.024 -9.648 1.00 0.89 H new ATOM 0 HB3 ALA A 89 -7.289 1.120 -8.318 1.00 0.89 H new ATOM 1400 N GLY A 90 -8.500 0.808 -5.345 1.00 0.59 N ATOM 1401 CA GLY A 90 -8.263 0.268 -4.009 1.00 0.64 C ATOM 1402 C GLY A 90 -9.562 0.108 -3.217 1.00 0.69 C ATOM 1403 O GLY A 90 -9.810 -0.959 -2.659 1.00 0.93 O ATOM 0 H GLY A 90 -8.253 1.794 -5.434 1.00 0.59 H new ATOM 0 HA2 GLY A 90 -7.767 -0.699 -4.092 1.00 0.64 H new ATOM 0 HA3 GLY A 90 -7.586 0.928 -3.466 1.00 0.64 H new ATOM 1407 N ASP A 91 -10.410 1.144 -3.198 1.00 0.56 N ATOM 1408 CA ASP A 91 -11.742 1.138 -2.581 1.00 0.58 C ATOM 1409 C ASP A 91 -12.757 0.268 -3.374 1.00 0.64 C ATOM 1410 O ASP A 91 -13.831 0.719 -3.771 1.00 0.76 O ATOM 1411 CB ASP A 91 -12.229 2.583 -2.433 1.00 0.64 C ATOM 1412 CG ASP A 91 -13.619 2.636 -1.800 1.00 0.81 C ATOM 1413 OD1 ASP A 91 -13.866 1.930 -0.789 1.00 0.77 O ATOM 1414 OD2 ASP A 91 -14.465 3.389 -2.323 1.00 1.32 O ATOM 0 H ASP A 91 -10.179 2.040 -3.627 1.00 0.56 H new ATOM 0 HA ASP A 91 -11.667 0.680 -1.595 1.00 0.58 H new ATOM 0 HB2 ASP A 91 -11.525 3.146 -1.819 1.00 0.64 H new ATOM 0 HB3 ASP A 91 -12.253 3.063 -3.411 1.00 0.64 H new ATOM 1419 N LYS A 92 -12.475 -1.027 -3.566 1.00 0.72 N ATOM 1420 CA LYS A 92 -13.429 -1.974 -4.183 1.00 0.81 C ATOM 1421 C LYS A 92 -14.754 -2.111 -3.413 1.00 0.69 C ATOM 1422 O LYS A 92 -15.727 -2.622 -3.958 1.00 0.88 O ATOM 1423 CB LYS A 92 -12.776 -3.355 -4.306 1.00 0.98 C ATOM 1424 CG LYS A 92 -11.765 -3.462 -5.458 1.00 2.12 C ATOM 1425 CD LYS A 92 -12.416 -3.617 -6.838 1.00 3.33 C ATOM 1426 CE LYS A 92 -11.332 -3.965 -7.867 1.00 3.98 C ATOM 1427 NZ LYS A 92 -11.922 -4.426 -9.143 1.00 4.80 N ATOM 0 H LYS A 92 -11.586 -1.452 -3.302 1.00 0.72 H new ATOM 0 HA LYS A 92 -13.675 -1.565 -5.163 1.00 0.81 H new ATOM 0 HB2 LYS A 92 -12.272 -3.593 -3.369 1.00 0.98 H new ATOM 0 HB3 LYS A 92 -13.555 -4.104 -4.448 1.00 0.98 H new ATOM 0 HG2 LYS A 92 -11.136 -2.572 -5.461 1.00 2.12 H new ATOM 0 HG3 LYS A 92 -11.111 -4.315 -5.277 1.00 2.12 H new ATOM 0 HD2 LYS A 92 -13.174 -4.400 -6.811 1.00 3.33 H new ATOM 0 HD3 LYS A 92 -12.921 -2.694 -7.121 1.00 3.33 H new ATOM 0 HE2 LYS A 92 -10.708 -3.090 -8.049 1.00 3.98 H new ATOM 0 HE3 LYS A 92 -10.682 -4.742 -7.464 1.00 3.98 H new ATOM 0 HZ1 LYS A 92 -11.162 -4.653 -9.815 1.00 4.80 H new ATOM 0 HZ2 LYS A 92 -12.498 -5.275 -8.973 1.00 4.80 H new ATOM 0 HZ3 LYS A 92 -12.522 -3.675 -9.539 1.00 4.80 H new ATOM 1441 N ASP A 93 -14.781 -1.657 -2.160 1.00 0.50 N ATOM 1442 CA ASP A 93 -15.926 -1.647 -1.254 1.00 0.57 C ATOM 1443 C ASP A 93 -16.831 -0.409 -1.432 1.00 0.67 C ATOM 1444 O ASP A 93 -17.977 -0.429 -0.995 1.00 0.96 O ATOM 1445 CB ASP A 93 -15.330 -1.719 0.156 1.00 0.76 C ATOM 1446 CG ASP A 93 -16.354 -1.713 1.289 1.00 0.99 C ATOM 1447 OD1 ASP A 93 -17.137 -2.680 1.378 1.00 1.60 O ATOM 1448 OD2 ASP A 93 -16.255 -0.756 2.093 1.00 1.44 O ATOM 0 H ASP A 93 -13.948 -1.261 -1.724 1.00 0.50 H new ATOM 0 HA ASP A 93 -16.586 -2.489 -1.461 1.00 0.57 H new ATOM 0 HB2 ASP A 93 -14.729 -2.625 0.234 1.00 0.76 H new ATOM 0 HB3 ASP A 93 -14.654 -0.875 0.292 1.00 0.76 H new ATOM 1453 N GLY A 94 -16.354 0.658 -2.091 1.00 0.58 N ATOM 1454 CA GLY A 94 -17.155 1.851 -2.368 1.00 0.75 C ATOM 1455 C GLY A 94 -17.365 2.800 -1.178 1.00 0.86 C ATOM 1456 O GLY A 94 -18.339 3.552 -1.196 1.00 1.13 O ATOM 0 H GLY A 94 -15.399 0.714 -2.446 1.00 0.58 H new ATOM 0 HA2 GLY A 94 -16.678 2.408 -3.174 1.00 0.75 H new ATOM 0 HA3 GLY A 94 -18.132 1.534 -2.734 1.00 0.75 H new ATOM 1460 N ASP A 95 -16.488 2.796 -0.158 1.00 0.72 N ATOM 1461 CA ASP A 95 -16.573 3.748 0.983 1.00 0.89 C ATOM 1462 C ASP A 95 -15.601 4.949 0.877 1.00 1.06 C ATOM 1463 O ASP A 95 -15.541 5.809 1.760 1.00 1.46 O ATOM 1464 CB ASP A 95 -16.518 3.014 2.341 1.00 1.26 C ATOM 1465 CG ASP A 95 -15.175 3.118 3.062 1.00 1.46 C ATOM 1466 OD1 ASP A 95 -14.223 2.436 2.615 1.00 1.60 O ATOM 1467 OD2 ASP A 95 -15.080 3.855 4.064 1.00 2.89 O ATOM 0 H ASP A 95 -15.706 2.144 -0.094 1.00 0.72 H new ATOM 0 HA ASP A 95 -17.558 4.212 0.923 1.00 0.89 H new ATOM 0 HB2 ASP A 95 -17.296 3.416 2.989 1.00 1.26 H new ATOM 0 HB3 ASP A 95 -16.750 1.961 2.180 1.00 1.26 H new ATOM 1472 N GLY A 96 -14.846 5.000 -0.222 1.00 0.88 N ATOM 1473 CA GLY A 96 -13.922 6.028 -0.686 1.00 0.94 C ATOM 1474 C GLY A 96 -12.538 6.027 -0.043 1.00 0.72 C ATOM 1475 O GLY A 96 -11.771 6.960 -0.270 1.00 0.98 O ATOM 0 H GLY A 96 -14.874 4.226 -0.886 1.00 0.88 H new ATOM 0 HA2 GLY A 96 -13.800 5.918 -1.764 1.00 0.94 H new ATOM 0 HA3 GLY A 96 -14.379 7.003 -0.515 1.00 0.94 H new ATOM 1479 N LYS A 97 -12.211 4.991 0.737 1.00 0.35 N ATOM 1480 CA LYS A 97 -10.898 4.773 1.350 1.00 0.26 C ATOM 1481 C LYS A 97 -10.472 3.319 1.184 1.00 0.31 C ATOM 1482 O LYS A 97 -11.316 2.430 1.071 1.00 0.47 O ATOM 1483 CB LYS A 97 -10.945 5.144 2.839 1.00 0.42 C ATOM 1484 CG LYS A 97 -11.134 6.654 3.076 1.00 0.49 C ATOM 1485 CD LYS A 97 -12.585 7.076 3.325 1.00 0.84 C ATOM 1486 CE LYS A 97 -13.100 6.596 4.688 1.00 1.83 C ATOM 1487 NZ LYS A 97 -14.561 6.368 4.665 1.00 2.81 N ATOM 0 H LYS A 97 -12.879 4.255 0.967 1.00 0.35 H new ATOM 0 HA LYS A 97 -10.167 5.409 0.850 1.00 0.26 H new ATOM 0 HB2 LYS A 97 -11.760 4.602 3.318 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -10.022 4.819 3.318 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -10.529 6.954 3.931 1.00 0.49 H new ATOM 0 HG3 LYS A 97 -10.754 7.196 2.210 1.00 0.49 H new ATOM 0 HD2 LYS A 97 -12.660 8.162 3.271 1.00 0.84 H new ATOM 0 HD3 LYS A 97 -13.220 6.673 2.536 1.00 0.84 H new ATOM 0 HE2 LYS A 97 -12.591 5.673 4.966 1.00 1.83 H new ATOM 0 HE3 LYS A 97 -12.858 7.336 5.451 1.00 1.83 H new ATOM 0 HZ1 LYS A 97 -15.014 6.948 5.400 1.00 2.81 H new ATOM 0 HZ2 LYS A 97 -14.939 6.633 3.733 1.00 2.81 H new ATOM 0 HZ3 LYS A 97 -14.758 5.363 4.846 1.00 2.81 H new ATOM 1501 N ILE A 98 -9.165 3.065 1.239 1.00 0.26 N ATOM 1502 CA ILE A 98 -8.636 1.695 1.268 1.00 0.32 C ATOM 1503 C ILE A 98 -8.841 1.169 2.684 1.00 0.35 C ATOM 1504 O ILE A 98 -8.514 1.859 3.654 1.00 0.37 O ATOM 1505 CB ILE A 98 -7.168 1.659 0.772 1.00 0.39 C ATOM 1506 CG1 ILE A 98 -7.236 1.834 -0.757 1.00 0.49 C ATOM 1507 CG2 ILE A 98 -6.350 0.397 1.148 1.00 0.44 C ATOM 1508 CD1 ILE A 98 -5.881 2.040 -1.429 1.00 0.54 C ATOM 0 H ILE A 98 -8.448 3.790 1.265 1.00 0.26 H new ATOM 0 HA ILE A 98 -9.165 1.036 0.580 1.00 0.32 H new ATOM 0 HB ILE A 98 -6.623 2.456 1.278 1.00 0.39 H new ATOM 0 HG12 ILE A 98 -7.713 0.955 -1.190 1.00 0.49 H new ATOM 0 HG13 ILE A 98 -7.874 2.688 -0.985 1.00 0.49 H new ATOM 0 HG21 ILE A 98 -5.340 0.485 0.747 1.00 0.44 H new ATOM 0 HG22 ILE A 98 -6.303 0.304 2.233 1.00 0.44 H new ATOM 0 HG23 ILE A 98 -6.831 -0.487 0.728 1.00 0.44 H new ATOM 0 HD11 ILE A 98 -6.022 2.154 -2.504 1.00 0.54 H new ATOM 0 HD12 ILE A 98 -5.408 2.936 -1.027 1.00 0.54 H new ATOM 0 HD13 ILE A 98 -5.244 1.177 -1.236 1.00 0.54 H new ATOM 1520 N GLY A 99 -9.426 -0.026 2.781 1.00 0.41 N ATOM 1521 CA GLY A 99 -9.551 -0.799 4.021 1.00 0.45 C ATOM 1522 C GLY A 99 -8.762 -2.112 3.957 1.00 0.45 C ATOM 1523 O GLY A 99 -8.717 -2.764 2.918 1.00 0.56 O ATOM 0 H GLY A 99 -9.838 -0.498 1.976 1.00 0.41 H new ATOM 0 HA2 GLY A 99 -9.194 -0.201 4.859 1.00 0.45 H new ATOM 0 HA3 GLY A 99 -10.602 -1.016 4.209 1.00 0.45 H new ATOM 1527 N VAL A 100 -8.159 -2.525 5.079 1.00 0.42 N ATOM 1528 CA VAL A 100 -7.267 -3.696 5.168 1.00 0.45 C ATOM 1529 C VAL A 100 -7.801 -4.991 4.544 1.00 0.45 C ATOM 1530 O VAL A 100 -7.062 -5.657 3.823 1.00 0.53 O ATOM 1531 CB VAL A 100 -6.826 -3.939 6.623 1.00 0.49 C ATOM 1532 CG1 VAL A 100 -7.943 -4.294 7.615 1.00 0.53 C ATOM 1533 CG2 VAL A 100 -5.754 -5.026 6.666 1.00 0.63 C ATOM 0 H VAL A 100 -8.278 -2.046 5.972 1.00 0.42 H new ATOM 0 HA VAL A 100 -6.408 -3.428 4.553 1.00 0.45 H new ATOM 0 HB VAL A 100 -6.443 -2.974 6.956 1.00 0.49 H new ATOM 0 HG11 VAL A 100 -7.515 -4.443 8.607 1.00 0.53 H new ATOM 0 HG12 VAL A 100 -8.669 -3.482 7.651 1.00 0.53 H new ATOM 0 HG13 VAL A 100 -8.438 -5.210 7.293 1.00 0.53 H new ATOM 0 HG21 VAL A 100 -5.446 -5.193 7.698 1.00 0.63 H new ATOM 0 HG22 VAL A 100 -6.157 -5.951 6.253 1.00 0.63 H new ATOM 0 HG23 VAL A 100 -4.893 -4.711 6.077 1.00 0.63 H new ATOM 1543 N ASP A 101 -9.056 -5.354 4.812 1.00 0.46 N ATOM 1544 CA ASP A 101 -9.675 -6.598 4.336 1.00 0.53 C ATOM 1545 C ASP A 101 -9.723 -6.655 2.796 1.00 0.47 C ATOM 1546 O ASP A 101 -9.384 -7.665 2.168 1.00 0.49 O ATOM 1547 CB ASP A 101 -11.074 -6.673 4.965 1.00 0.67 C ATOM 1548 CG ASP A 101 -11.656 -8.081 4.874 1.00 1.14 C ATOM 1549 OD1 ASP A 101 -11.165 -8.937 5.643 1.00 1.46 O ATOM 1550 OD2 ASP A 101 -12.577 -8.273 4.053 1.00 2.36 O ATOM 0 H ASP A 101 -9.685 -4.783 5.376 1.00 0.46 H new ATOM 0 HA ASP A 101 -9.084 -7.463 4.637 1.00 0.53 H new ATOM 0 HB2 ASP A 101 -11.021 -6.368 6.010 1.00 0.67 H new ATOM 0 HB3 ASP A 101 -11.738 -5.971 4.461 1.00 0.67 H new ATOM 1555 N GLU A 102 -10.040 -5.503 2.197 1.00 0.48 N ATOM 1556 CA GLU A 102 -9.924 -5.230 0.769 1.00 0.52 C ATOM 1557 C GLU A 102 -8.452 -5.344 0.369 1.00 0.50 C ATOM 1558 O GLU A 102 -8.102 -6.162 -0.469 1.00 0.59 O ATOM 1559 CB GLU A 102 -10.437 -3.816 0.414 1.00 0.64 C ATOM 1560 CG GLU A 102 -11.739 -3.353 1.092 1.00 0.69 C ATOM 1561 CD GLU A 102 -11.795 -1.833 1.289 1.00 0.97 C ATOM 1562 OE1 GLU A 102 -11.001 -1.060 0.711 1.00 2.57 O ATOM 1563 OE2 GLU A 102 -12.674 -1.361 2.051 1.00 0.91 O ATOM 0 H GLU A 102 -10.399 -4.704 2.720 1.00 0.48 H new ATOM 0 HA GLU A 102 -10.534 -5.954 0.229 1.00 0.52 H new ATOM 0 HB2 GLU A 102 -9.653 -3.100 0.661 1.00 0.64 H new ATOM 0 HB3 GLU A 102 -10.582 -3.770 -0.665 1.00 0.64 H new ATOM 0 HG2 GLU A 102 -12.590 -3.669 0.489 1.00 0.69 H new ATOM 0 HG3 GLU A 102 -11.835 -3.845 2.060 1.00 0.69 H new ATOM 1570 N PHE A 103 -7.572 -4.533 0.966 1.00 0.48 N ATOM 1571 CA PHE A 103 -6.186 -4.367 0.529 1.00 0.56 C ATOM 1572 C PHE A 103 -5.351 -5.654 0.612 1.00 0.60 C ATOM 1573 O PHE A 103 -4.453 -5.856 -0.200 1.00 0.77 O ATOM 1574 CB PHE A 103 -5.559 -3.216 1.331 1.00 0.65 C ATOM 1575 CG PHE A 103 -4.486 -2.406 0.623 1.00 0.49 C ATOM 1576 CD1 PHE A 103 -4.640 -2.002 -0.722 1.00 1.95 C ATOM 1577 CD2 PHE A 103 -3.376 -1.947 1.356 1.00 1.54 C ATOM 1578 CE1 PHE A 103 -3.677 -1.180 -1.333 1.00 2.42 C ATOM 1579 CE2 PHE A 103 -2.427 -1.108 0.749 1.00 1.88 C ATOM 1580 CZ PHE A 103 -2.569 -0.731 -0.597 1.00 1.86 C ATOM 0 H PHE A 103 -7.809 -3.965 1.780 1.00 0.48 H new ATOM 0 HA PHE A 103 -6.191 -4.122 -0.533 1.00 0.56 H new ATOM 0 HB2 PHE A 103 -6.356 -2.537 1.634 1.00 0.65 H new ATOM 0 HB3 PHE A 103 -5.129 -3.630 2.243 1.00 0.65 H new ATOM 0 HD1 PHE A 103 -5.503 -2.327 -1.284 1.00 1.95 H new ATOM 0 HD2 PHE A 103 -3.253 -2.241 2.388 1.00 1.54 H new ATOM 0 HE1 PHE A 103 -3.790 -0.894 -2.368 1.00 2.42 H new ATOM 0 HE2 PHE A 103 -1.583 -0.751 1.320 1.00 1.88 H new ATOM 0 HZ PHE A 103 -1.829 -0.098 -1.064 1.00 1.86 H new ATOM 1590 N SER A 104 -5.706 -6.555 1.535 1.00 0.54 N ATOM 1591 CA SER A 104 -5.215 -7.931 1.647 1.00 0.58 C ATOM 1592 C SER A 104 -5.525 -8.797 0.414 1.00 0.59 C ATOM 1593 O SER A 104 -4.749 -9.689 0.067 1.00 0.91 O ATOM 1594 CB SER A 104 -5.883 -8.551 2.880 1.00 0.59 C ATOM 1595 OG SER A 104 -5.428 -9.867 3.109 1.00 1.03 O ATOM 0 H SER A 104 -6.382 -6.329 2.265 1.00 0.54 H new ATOM 0 HA SER A 104 -4.129 -7.899 1.729 1.00 0.58 H new ATOM 0 HB2 SER A 104 -5.675 -7.936 3.755 1.00 0.59 H new ATOM 0 HB3 SER A 104 -6.965 -8.557 2.744 1.00 0.59 H new ATOM 0 HG SER A 104 -5.872 -10.233 3.902 1.00 1.03 H new ATOM 1601 N THR A 105 -6.653 -8.543 -0.259 1.00 0.50 N ATOM 1602 CA THR A 105 -7.293 -9.460 -1.211 1.00 0.55 C ATOM 1603 C THR A 105 -7.458 -8.876 -2.617 1.00 0.54 C ATOM 1604 O THR A 105 -7.410 -9.615 -3.599 1.00 0.56 O ATOM 1605 CB THR A 105 -8.633 -9.938 -0.636 1.00 0.59 C ATOM 1606 OG1 THR A 105 -9.487 -8.862 -0.298 1.00 0.56 O ATOM 1607 CG2 THR A 105 -8.387 -10.792 0.606 1.00 0.63 C ATOM 0 H THR A 105 -7.162 -7.666 -0.153 1.00 0.50 H new ATOM 0 HA THR A 105 -6.624 -10.311 -1.340 1.00 0.55 H new ATOM 0 HB THR A 105 -9.126 -10.525 -1.411 1.00 0.59 H new ATOM 0 HG1 THR A 105 -9.302 -8.573 0.620 1.00 0.56 H new ATOM 0 HG21 THR A 105 -9.341 -11.129 1.011 1.00 0.63 H new ATOM 0 HG22 THR A 105 -7.780 -11.657 0.338 1.00 0.63 H new ATOM 0 HG23 THR A 105 -7.863 -10.200 1.357 1.00 0.63 H new ATOM 1615 N LEU A 106 -7.439 -7.546 -2.734 1.00 0.55 N ATOM 1616 CA LEU A 106 -7.207 -6.759 -3.958 1.00 0.63 C ATOM 1617 C LEU A 106 -6.009 -7.261 -4.774 1.00 0.66 C ATOM 1618 O LEU A 106 -5.951 -7.149 -5.995 1.00 0.83 O ATOM 1619 CB LEU A 106 -6.921 -5.293 -3.548 1.00 0.71 C ATOM 1620 CG LEU A 106 -7.957 -4.254 -3.986 1.00 0.94 C ATOM 1621 CD1 LEU A 106 -8.123 -4.224 -5.506 1.00 1.82 C ATOM 1622 CD2 LEU A 106 -9.293 -4.496 -3.295 1.00 2.55 C ATOM 0 H LEU A 106 -7.595 -6.946 -1.924 1.00 0.55 H new ATOM 0 HA LEU A 106 -8.098 -6.853 -4.579 1.00 0.63 H new ATOM 0 HB2 LEU A 106 -6.832 -5.252 -2.462 1.00 0.71 H new ATOM 0 HB3 LEU A 106 -5.953 -5.005 -3.958 1.00 0.71 H new ATOM 0 HG LEU A 106 -7.587 -3.275 -3.682 1.00 0.94 H new ATOM 0 HD11 LEU A 106 -8.867 -3.474 -5.776 1.00 1.82 H new ATOM 0 HD12 LEU A 106 -7.170 -3.974 -5.971 1.00 1.82 H new ATOM 0 HD13 LEU A 106 -8.451 -5.203 -5.856 1.00 1.82 H new ATOM 0 HD21 LEU A 106 -10.013 -3.746 -3.622 1.00 2.55 H new ATOM 0 HD22 LEU A 106 -9.661 -5.489 -3.553 1.00 2.55 H new ATOM 0 HD23 LEU A 106 -9.162 -4.427 -2.215 1.00 2.55 H new ATOM 1634 N VAL A 107 -5.028 -7.805 -4.060 1.00 0.60 N ATOM 1635 CA VAL A 107 -3.754 -8.294 -4.576 1.00 0.70 C ATOM 1636 C VAL A 107 -3.730 -9.807 -4.779 1.00 0.79 C ATOM 1637 O VAL A 107 -2.876 -10.341 -5.492 1.00 0.88 O ATOM 1638 CB VAL A 107 -2.649 -7.859 -3.618 1.00 0.62 C ATOM 1639 CG1 VAL A 107 -2.573 -6.325 -3.644 1.00 0.58 C ATOM 1640 CG2 VAL A 107 -2.897 -8.369 -2.192 1.00 0.64 C ATOM 0 H VAL A 107 -5.105 -7.923 -3.050 1.00 0.60 H new ATOM 0 HA VAL A 107 -3.599 -7.862 -5.565 1.00 0.70 H new ATOM 0 HB VAL A 107 -1.701 -8.291 -3.940 1.00 0.62 H new ATOM 0 HG11 VAL A 107 -1.789 -5.988 -2.966 1.00 0.58 H new ATOM 0 HG12 VAL A 107 -2.347 -5.989 -4.656 1.00 0.58 H new ATOM 0 HG13 VAL A 107 -3.529 -5.908 -3.329 1.00 0.58 H new ATOM 0 HG21 VAL A 107 -2.088 -8.038 -1.541 1.00 0.64 H new ATOM 0 HG22 VAL A 107 -3.844 -7.974 -1.824 1.00 0.64 H new ATOM 0 HG23 VAL A 107 -2.936 -9.458 -2.197 1.00 0.64 H new ATOM 1650 N ALA A 108 -4.699 -10.505 -4.188 1.00 0.76 N ATOM 1651 CA ALA A 108 -5.037 -11.877 -4.514 1.00 0.76 C ATOM 1652 C ALA A 108 -5.762 -11.971 -5.869 1.00 0.92 C ATOM 1653 O ALA A 108 -5.633 -12.999 -6.527 1.00 1.12 O ATOM 1654 CB ALA A 108 -5.821 -12.473 -3.350 1.00 0.59 C ATOM 0 H ALA A 108 -5.283 -10.114 -3.449 1.00 0.76 H new ATOM 0 HA ALA A 108 -4.133 -12.471 -4.644 1.00 0.76 H new ATOM 0 HB1 ALA A 108 -6.083 -13.506 -3.579 1.00 0.59 H new ATOM 0 HB2 ALA A 108 -5.210 -12.445 -2.448 1.00 0.59 H new ATOM 0 HB3 ALA A 108 -6.731 -11.894 -3.190 1.00 0.59 H new