USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 ASN : amide:sc= 0 K(o=-0.015,f=-2.5) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 168:sc= -0.0147 (180deg=-0.323) USER MOD Set 2.1: A 7 THR OG1 : rot -170:sc= 0.769 USER MOD Set 2.2: A 9 THR OG1 : rot -53:sc= 0.6 USER MOD Single : A 6 LYS NZ :NH3+ 156:sc= -1.36 (180deg=-2) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.000108 USER MOD Single : A 14 THR OG1 : rot -82:sc= 1.92 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00841 USER MOD Single : A 27 LYS NZ :NH3+ -113:sc= -0.315! (180deg=-3.65!) USER MOD Single : A 31 GLN : amide:sc= -1.9 K(o=-1.9,f=-4.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -3.87! C(o=-3.9!,f=-17!) USER MOD Single : A 48 LYS NZ :NH3+ -116:sc= -0.136 (180deg=-0.895) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.435 USER MOD Single : A 57 SER OG : rot 180:sc= -0.508 USER MOD Single : A 59 TYR OH : rot 150:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.115 X(o=-0.11,f=-0.47) USER MOD Single : A 62 GLN : amide:sc= -0.0323 K(o=-0.032,f=-1.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -120:sc= 0.0837 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 75.269 -12.674 2.445 1.00 0.00 N ATOM 38 CA ILE A 3 74.321 -12.431 1.361 1.00 0.00 C ATOM 39 C ILE A 3 74.922 -11.436 0.375 1.00 0.00 C ATOM 40 O ILE A 3 75.986 -10.872 0.632 1.00 0.00 O ATOM 41 CB ILE A 3 73.016 -11.852 1.918 1.00 0.00 C ATOM 42 CG1 ILE A 3 73.326 -10.695 2.869 1.00 0.00 C ATOM 43 CG2 ILE A 3 72.246 -12.933 2.676 1.00 0.00 C ATOM 44 CD1 ILE A 3 72.204 -9.661 2.782 1.00 0.00 C ATOM 0 HA ILE A 3 74.111 -13.376 0.859 1.00 0.00 H new ATOM 0 HB ILE A 3 72.410 -11.490 1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 3 73.420 -11.063 3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 3 74.280 -10.238 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 3 71.320 -12.513 3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 3 72.013 -13.756 2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 3 72.855 -13.303 3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 3 72.419 -8.833 3.458 1.00 0.00 H new ATOM 0 HD12 ILE A 3 72.133 -9.287 1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 3 71.259 -10.125 3.065 1.00 0.00 H new ATOM 56 N PHE A 4 74.256 -11.244 -0.760 1.00 0.00 N ATOM 57 CA PHE A 4 74.762 -10.334 -1.785 1.00 0.00 C ATOM 58 C PHE A 4 73.789 -9.191 -2.061 1.00 0.00 C ATOM 59 O PHE A 4 72.580 -9.395 -2.141 1.00 0.00 O ATOM 60 CB PHE A 4 74.996 -11.115 -3.080 1.00 0.00 C ATOM 61 CG PHE A 4 76.035 -12.188 -2.842 1.00 0.00 C ATOM 62 CD1 PHE A 4 77.380 -11.839 -2.671 1.00 0.00 C ATOM 63 CD2 PHE A 4 75.648 -13.531 -2.788 1.00 0.00 C ATOM 64 CE1 PHE A 4 78.338 -12.834 -2.446 1.00 0.00 C ATOM 65 CE2 PHE A 4 76.606 -14.527 -2.565 1.00 0.00 C ATOM 66 CZ PHE A 4 77.951 -14.179 -2.394 1.00 0.00 C ATOM 0 H PHE A 4 73.374 -11.700 -0.993 1.00 0.00 H new ATOM 0 HA PHE A 4 75.694 -9.903 -1.420 1.00 0.00 H new ATOM 0 HB2 PHE A 4 74.063 -11.566 -3.419 1.00 0.00 H new ATOM 0 HB3 PHE A 4 75.329 -10.440 -3.869 1.00 0.00 H new ATOM 0 HD1 PHE A 4 77.678 -10.802 -2.713 1.00 0.00 H new ATOM 0 HD2 PHE A 4 74.610 -13.800 -2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 4 79.375 -12.565 -2.313 1.00 0.00 H new ATOM 0 HE2 PHE A 4 76.307 -15.564 -2.525 1.00 0.00 H new ATOM 0 HZ PHE A 4 78.690 -14.947 -2.222 1.00 0.00 H new ATOM 76 N VAL A 5 74.337 -7.990 -2.225 1.00 0.00 N ATOM 77 CA VAL A 5 73.528 -6.811 -2.523 1.00 0.00 C ATOM 78 C VAL A 5 74.044 -6.146 -3.796 1.00 0.00 C ATOM 79 O VAL A 5 75.164 -5.640 -3.827 1.00 0.00 O ATOM 80 CB VAL A 5 73.586 -5.819 -1.359 1.00 0.00 C ATOM 81 CG1 VAL A 5 72.690 -4.616 -1.665 1.00 0.00 C ATOM 82 CG2 VAL A 5 73.095 -6.507 -0.082 1.00 0.00 C ATOM 0 H VAL A 5 75.338 -7.807 -2.157 1.00 0.00 H new ATOM 0 HA VAL A 5 72.493 -7.119 -2.668 1.00 0.00 H new ATOM 0 HB VAL A 5 74.613 -5.480 -1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 5 72.732 -3.910 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 5 73.036 -4.127 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 5 71.663 -4.953 -1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 5 73.135 -5.803 0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 5 72.068 -6.845 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 5 73.732 -7.364 0.137 1.00 0.00 H new ATOM 92 N LYS A 6 73.232 -6.161 -4.847 1.00 0.00 N ATOM 93 CA LYS A 6 73.639 -5.566 -6.116 1.00 0.00 C ATOM 94 C LYS A 6 73.066 -4.163 -6.275 1.00 0.00 C ATOM 95 O LYS A 6 71.899 -3.920 -5.969 1.00 0.00 O ATOM 96 CB LYS A 6 73.175 -6.446 -7.277 1.00 0.00 C ATOM 97 CG LYS A 6 74.364 -7.242 -7.819 1.00 0.00 C ATOM 98 CD LYS A 6 73.853 -8.389 -8.687 1.00 0.00 C ATOM 99 CE LYS A 6 72.937 -7.837 -9.781 1.00 0.00 C ATOM 100 NZ LYS A 6 73.534 -6.596 -10.350 1.00 0.00 N ATOM 0 H LYS A 6 72.299 -6.573 -4.848 1.00 0.00 H new ATOM 0 HA LYS A 6 74.727 -5.495 -6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 6 72.391 -7.125 -6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 6 72.746 -5.829 -8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 6 75.015 -6.592 -8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 6 74.960 -7.633 -6.995 1.00 0.00 H new ATOM 0 HD2 LYS A 6 74.692 -8.921 -9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 6 73.311 -9.109 -8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 6 72.801 -8.581 -10.566 1.00 0.00 H new ATOM 0 HE3 LYS A 6 71.950 -7.623 -9.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 73.171 -6.446 -11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 73.279 -5.783 -9.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 74.569 -6.692 -10.381 1.00 0.00 H new ATOM 114 N THR A 7 73.898 -3.245 -6.758 1.00 0.00 N ATOM 115 CA THR A 7 73.471 -1.865 -6.962 1.00 0.00 C ATOM 116 C THR A 7 73.287 -1.575 -8.448 1.00 0.00 C ATOM 117 O THR A 7 73.516 -2.441 -9.291 1.00 0.00 O ATOM 118 CB THR A 7 74.513 -0.907 -6.379 1.00 0.00 C ATOM 119 OG1 THR A 7 75.626 -0.829 -7.258 1.00 0.00 O ATOM 120 CG2 THR A 7 74.973 -1.419 -5.013 1.00 0.00 C ATOM 0 H THR A 7 74.868 -3.431 -7.014 1.00 0.00 H new ATOM 0 HA THR A 7 72.517 -1.720 -6.455 1.00 0.00 H new ATOM 0 HB THR A 7 74.072 0.083 -6.262 1.00 0.00 H new ATOM 0 HG1 THR A 7 76.357 -0.346 -6.818 1.00 0.00 H new ATOM 0 HG21 THR A 7 75.715 -0.736 -4.599 1.00 0.00 H new ATOM 0 HG22 THR A 7 74.118 -1.477 -4.340 1.00 0.00 H new ATOM 0 HG23 THR A 7 75.414 -2.409 -5.125 1.00 0.00 H new ATOM 128 N LEU A 8 72.873 -0.351 -8.761 1.00 0.00 N ATOM 129 CA LEU A 8 72.661 0.040 -10.150 1.00 0.00 C ATOM 130 C LEU A 8 73.993 0.148 -10.886 1.00 0.00 C ATOM 131 O LEU A 8 74.029 0.261 -12.112 1.00 0.00 O ATOM 132 CB LEU A 8 71.936 1.386 -10.207 1.00 0.00 C ATOM 133 CG LEU A 8 70.572 1.259 -9.529 1.00 0.00 C ATOM 134 CD1 LEU A 8 70.330 2.479 -8.638 1.00 0.00 C ATOM 135 CD2 LEU A 8 69.478 1.185 -10.597 1.00 0.00 C ATOM 0 H LEU A 8 72.679 0.381 -8.078 1.00 0.00 H new ATOM 0 HA LEU A 8 72.052 -0.723 -10.634 1.00 0.00 H new ATOM 0 HB2 LEU A 8 72.531 2.153 -9.711 1.00 0.00 H new ATOM 0 HB3 LEU A 8 71.811 1.700 -11.243 1.00 0.00 H new ATOM 0 HG LEU A 8 70.551 0.354 -8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 8 69.357 2.389 -8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 8 71.109 2.535 -7.878 1.00 0.00 H new ATOM 0 HD13 LEU A 8 70.350 3.383 -9.246 1.00 0.00 H new ATOM 0 HD21 LEU A 8 68.505 1.094 -10.115 1.00 0.00 H new ATOM 0 HD22 LEU A 8 69.500 2.090 -11.203 1.00 0.00 H new ATOM 0 HD23 LEU A 8 69.650 0.317 -11.234 1.00 0.00 H new ATOM 147 N THR A 9 75.088 0.113 -10.131 1.00 0.00 N ATOM 148 CA THR A 9 76.416 0.207 -10.724 1.00 0.00 C ATOM 149 C THR A 9 76.971 -1.183 -11.023 1.00 0.00 C ATOM 150 O THR A 9 78.029 -1.320 -11.637 1.00 0.00 O ATOM 151 CB THR A 9 77.363 0.942 -9.771 1.00 0.00 C ATOM 152 OG1 THR A 9 77.808 0.043 -8.764 1.00 0.00 O ATOM 153 CG2 THR A 9 76.627 2.115 -9.122 1.00 0.00 C ATOM 0 H THR A 9 75.081 0.021 -9.115 1.00 0.00 H new ATOM 0 HA THR A 9 76.337 0.762 -11.659 1.00 0.00 H new ATOM 0 HB THR A 9 78.221 1.319 -10.328 1.00 0.00 H new ATOM 0 HG1 THR A 9 77.034 -0.383 -8.340 1.00 0.00 H new ATOM 0 HG21 THR A 9 77.302 2.638 -8.444 1.00 0.00 H new ATOM 0 HG22 THR A 9 76.285 2.803 -9.895 1.00 0.00 H new ATOM 0 HG23 THR A 9 75.769 1.742 -8.563 1.00 0.00 H new ATOM 161 N GLY A 10 76.249 -2.208 -10.585 1.00 0.00 N ATOM 162 CA GLY A 10 76.678 -3.584 -10.812 1.00 0.00 C ATOM 163 C GLY A 10 77.577 -4.068 -9.679 1.00 0.00 C ATOM 164 O GLY A 10 77.999 -5.224 -9.660 1.00 0.00 O ATOM 0 H GLY A 10 75.371 -2.115 -10.075 1.00 0.00 H new ATOM 0 HA2 GLY A 10 75.806 -4.233 -10.892 1.00 0.00 H new ATOM 0 HA3 GLY A 10 77.213 -3.651 -11.760 1.00 0.00 H new ATOM 168 N LYS A 11 77.864 -3.177 -8.736 1.00 0.00 N ATOM 169 CA LYS A 11 78.715 -3.524 -7.603 1.00 0.00 C ATOM 170 C LYS A 11 77.963 -4.422 -6.626 1.00 0.00 C ATOM 171 O LYS A 11 76.903 -4.054 -6.118 1.00 0.00 O ATOM 172 CB LYS A 11 79.172 -2.254 -6.884 1.00 0.00 C ATOM 173 CG LYS A 11 80.229 -2.611 -5.838 1.00 0.00 C ATOM 174 CD LYS A 11 80.783 -1.330 -5.212 1.00 0.00 C ATOM 175 CE LYS A 11 82.033 -1.658 -4.394 1.00 0.00 C ATOM 176 NZ LYS A 11 83.230 -1.626 -5.280 1.00 0.00 N ATOM 0 H LYS A 11 77.523 -2.216 -8.733 1.00 0.00 H new ATOM 0 HA LYS A 11 79.586 -4.061 -7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 11 79.582 -1.544 -7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 11 78.321 -1.768 -6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 11 79.792 -3.246 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 11 81.035 -3.180 -6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 11 81.025 -0.608 -5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 11 80.029 -0.869 -4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 11 82.149 -0.939 -3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 11 81.933 -2.642 -3.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 84.080 -1.849 -4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 83.119 -2.328 -6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 83.328 -0.678 -5.697 1.00 0.00 H new ATOM 190 N THR A 12 78.515 -5.603 -6.368 1.00 0.00 N ATOM 191 CA THR A 12 77.888 -6.546 -5.450 1.00 0.00 C ATOM 192 C THR A 12 78.576 -6.509 -4.089 1.00 0.00 C ATOM 193 O THR A 12 79.739 -6.889 -3.962 1.00 0.00 O ATOM 194 CB THR A 12 77.967 -7.963 -6.025 1.00 0.00 C ATOM 195 OG1 THR A 12 77.477 -7.959 -7.358 1.00 0.00 O ATOM 196 CG2 THR A 12 77.120 -8.908 -5.171 1.00 0.00 C ATOM 0 H THR A 12 79.390 -5.928 -6.779 1.00 0.00 H new ATOM 0 HA THR A 12 76.843 -6.261 -5.323 1.00 0.00 H new ATOM 0 HB THR A 12 79.003 -8.301 -6.020 1.00 0.00 H new ATOM 0 HG1 THR A 12 77.528 -8.865 -7.728 1.00 0.00 H new ATOM 0 HG21 THR A 12 77.176 -9.917 -5.580 1.00 0.00 H new ATOM 0 HG22 THR A 12 77.496 -8.910 -4.148 1.00 0.00 H new ATOM 0 HG23 THR A 12 76.083 -8.572 -5.176 1.00 0.00 H new ATOM 204 N ILE A 13 77.851 -6.050 -3.072 1.00 0.00 N ATOM 205 CA ILE A 13 78.410 -5.972 -1.726 1.00 0.00 C ATOM 206 C ILE A 13 78.043 -7.212 -0.919 1.00 0.00 C ATOM 207 O ILE A 13 76.865 -7.522 -0.743 1.00 0.00 O ATOM 208 CB ILE A 13 77.886 -4.729 -0.998 1.00 0.00 C ATOM 209 CG1 ILE A 13 77.204 -3.792 -2.000 1.00 0.00 C ATOM 210 CG2 ILE A 13 79.049 -3.998 -0.319 1.00 0.00 C ATOM 211 CD1 ILE A 13 76.940 -2.437 -1.340 1.00 0.00 C ATOM 0 H ILE A 13 76.886 -5.730 -3.152 1.00 0.00 H new ATOM 0 HA ILE A 13 79.494 -5.909 -1.818 1.00 0.00 H new ATOM 0 HB ILE A 13 77.163 -5.035 -0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 13 77.835 -3.662 -2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.266 -4.230 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.672 -3.115 0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.526 -4.663 0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 13 79.777 -3.695 -1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 13 76.455 -1.772 -2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 13 76.292 -2.574 -0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 13 77.885 -1.998 -1.020 1.00 0.00 H new ATOM 223 N THR A 14 79.057 -7.910 -0.420 1.00 0.00 N ATOM 224 CA THR A 14 78.822 -9.105 0.381 1.00 0.00 C ATOM 225 C THR A 14 78.976 -8.774 1.861 1.00 0.00 C ATOM 226 O THR A 14 79.978 -8.191 2.273 1.00 0.00 O ATOM 227 CB THR A 14 79.817 -10.201 -0.008 1.00 0.00 C ATOM 228 OG1 THR A 14 79.765 -10.410 -1.413 1.00 0.00 O ATOM 229 CG2 THR A 14 79.459 -11.499 0.715 1.00 0.00 C ATOM 0 H THR A 14 80.040 -7.672 -0.554 1.00 0.00 H new ATOM 0 HA THR A 14 77.809 -9.461 0.195 1.00 0.00 H new ATOM 0 HB THR A 14 80.823 -9.895 0.277 1.00 0.00 H new ATOM 0 HG1 THR A 14 79.012 -10.999 -1.629 1.00 0.00 H new ATOM 0 HG21 THR A 14 80.169 -12.278 0.437 1.00 0.00 H new ATOM 0 HG22 THR A 14 79.500 -11.339 1.792 1.00 0.00 H new ATOM 0 HG23 THR A 14 78.452 -11.807 0.432 1.00 0.00 H new ATOM 237 N LEU A 15 77.976 -9.141 2.656 1.00 0.00 N ATOM 238 CA LEU A 15 78.012 -8.863 4.088 1.00 0.00 C ATOM 239 C LEU A 15 77.440 -10.033 4.879 1.00 0.00 C ATOM 240 O LEU A 15 76.684 -10.843 4.347 1.00 0.00 O ATOM 241 CB LEU A 15 77.188 -7.606 4.425 1.00 0.00 C ATOM 242 CG LEU A 15 77.140 -6.632 3.238 1.00 0.00 C ATOM 243 CD1 LEU A 15 76.132 -5.522 3.543 1.00 0.00 C ATOM 244 CD2 LEU A 15 78.522 -6.009 3.023 1.00 0.00 C ATOM 0 H LEU A 15 77.138 -9.627 2.337 1.00 0.00 H new ATOM 0 HA LEU A 15 79.056 -8.704 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 15 76.174 -7.897 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 15 77.622 -7.106 5.291 1.00 0.00 H new ATOM 0 HG LEU A 15 76.842 -7.171 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 15 76.092 -4.826 2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 15 75.146 -5.959 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 15 76.439 -4.989 4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 15 78.483 -5.319 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 15 78.821 -5.468 3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 15 79.247 -6.796 2.815 1.00 0.00 H new ATOM 256 N GLU A 16 77.784 -10.095 6.161 1.00 0.00 N ATOM 257 CA GLU A 16 77.277 -11.149 7.030 1.00 0.00 C ATOM 258 C GLU A 16 76.048 -10.635 7.765 1.00 0.00 C ATOM 259 O GLU A 16 76.062 -9.532 8.312 1.00 0.00 O ATOM 260 CB GLU A 16 78.351 -11.565 8.039 1.00 0.00 C ATOM 261 CG GLU A 16 77.769 -12.595 9.009 1.00 0.00 C ATOM 262 CD GLU A 16 77.463 -11.935 10.348 1.00 0.00 C ATOM 263 OE1 GLU A 16 77.087 -10.775 10.342 1.00 0.00 O ATOM 264 OE2 GLU A 16 77.607 -12.600 11.361 1.00 0.00 O ATOM 0 H GLU A 16 78.409 -9.431 6.619 1.00 0.00 H new ATOM 0 HA GLU A 16 77.011 -12.019 6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 16 79.211 -11.986 7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 16 78.706 -10.693 8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 16 76.860 -13.027 8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 16 78.475 -13.413 9.150 1.00 0.00 H new ATOM 271 N VAL A 17 74.971 -11.414 7.751 1.00 0.00 N ATOM 272 CA VAL A 17 73.738 -10.983 8.398 1.00 0.00 C ATOM 273 C VAL A 17 73.025 -12.139 9.101 1.00 0.00 C ATOM 274 O VAL A 17 73.267 -13.310 8.810 1.00 0.00 O ATOM 275 CB VAL A 17 72.815 -10.369 7.345 1.00 0.00 C ATOM 276 CG1 VAL A 17 73.622 -9.447 6.432 1.00 0.00 C ATOM 277 CG2 VAL A 17 72.178 -11.484 6.511 1.00 0.00 C ATOM 0 H VAL A 17 74.926 -12.331 7.307 1.00 0.00 H new ATOM 0 HA VAL A 17 73.992 -10.247 9.160 1.00 0.00 H new ATOM 0 HB VAL A 17 72.033 -9.794 7.841 1.00 0.00 H new ATOM 0 HG11 VAL A 17 72.963 -9.010 5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 17 74.074 -8.652 7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 17 74.406 -10.020 5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 17 71.520 -11.046 5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 17 72.960 -12.060 6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 17 71.600 -12.140 7.162 1.00 0.00 H new ATOM 287 N GLU A 18 72.140 -11.782 10.034 1.00 0.00 N ATOM 288 CA GLU A 18 71.376 -12.769 10.796 1.00 0.00 C ATOM 289 C GLU A 18 69.872 -12.525 10.608 1.00 0.00 C ATOM 290 O GLU A 18 69.484 -11.611 9.891 1.00 0.00 O ATOM 291 CB GLU A 18 71.747 -12.658 12.277 1.00 0.00 C ATOM 292 CG GLU A 18 73.142 -12.041 12.408 1.00 0.00 C ATOM 293 CD GLU A 18 73.706 -12.323 13.796 1.00 0.00 C ATOM 294 OE1 GLU A 18 74.889 -12.103 13.990 1.00 0.00 O ATOM 295 OE2 GLU A 18 72.944 -12.755 14.646 1.00 0.00 O ATOM 0 H GLU A 18 71.935 -10.813 10.280 1.00 0.00 H new ATOM 0 HA GLU A 18 71.613 -13.771 10.438 1.00 0.00 H new ATOM 0 HB2 GLU A 18 71.015 -12.044 12.801 1.00 0.00 H new ATOM 0 HB3 GLU A 18 71.728 -13.643 12.743 1.00 0.00 H new ATOM 0 HG2 GLU A 18 73.804 -12.453 11.646 1.00 0.00 H new ATOM 0 HG3 GLU A 18 73.091 -10.965 12.238 1.00 0.00 H new ATOM 302 N PRO A 19 69.013 -13.303 11.224 1.00 0.00 N ATOM 303 CA PRO A 19 67.538 -13.115 11.088 1.00 0.00 C ATOM 304 C PRO A 19 67.024 -11.898 11.869 1.00 0.00 C ATOM 305 O PRO A 19 65.816 -11.692 11.965 1.00 0.00 O ATOM 306 CB PRO A 19 66.929 -14.409 11.647 1.00 0.00 C ATOM 307 CG PRO A 19 68.069 -15.297 12.038 1.00 0.00 C ATOM 308 CD PRO A 19 69.328 -14.435 12.100 1.00 0.00 C ATOM 0 HA PRO A 19 67.262 -12.926 10.051 1.00 0.00 H new ATOM 0 HB2 PRO A 19 66.294 -14.196 12.507 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.301 -14.894 10.899 1.00 0.00 H new ATOM 0 HG2 PRO A 19 67.877 -15.763 13.004 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.192 -16.103 11.314 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.540 -14.108 13.118 1.00 0.00 H new ATOM 0 HD3 PRO A 19 70.205 -14.980 11.751 1.00 0.00 H new ATOM 316 N SER A 20 67.943 -11.095 12.414 1.00 0.00 N ATOM 317 CA SER A 20 67.560 -9.892 13.168 1.00 0.00 C ATOM 318 C SER A 20 68.146 -8.661 12.483 1.00 0.00 C ATOM 319 O SER A 20 68.067 -7.534 12.972 1.00 0.00 O ATOM 320 CB SER A 20 68.062 -9.982 14.610 1.00 0.00 C ATOM 321 OG SER A 20 69.440 -10.333 14.606 1.00 0.00 O ATOM 0 H SER A 20 68.949 -11.252 12.350 1.00 0.00 H new ATOM 0 HA SER A 20 66.473 -9.814 13.189 1.00 0.00 H new ATOM 0 HB2 SER A 20 67.919 -9.028 15.117 1.00 0.00 H new ATOM 0 HB3 SER A 20 67.487 -10.726 15.162 1.00 0.00 H new ATOM 0 HG SER A 20 69.766 -10.390 15.529 1.00 0.00 H new ATOM 327 N ASP A 21 68.706 -8.930 11.324 1.00 0.00 N ATOM 328 CA ASP A 21 69.316 -7.945 10.440 1.00 0.00 C ATOM 329 C ASP A 21 68.239 -7.252 9.647 1.00 0.00 C ATOM 330 O ASP A 21 68.267 -7.223 8.416 1.00 0.00 O ATOM 331 CB ASP A 21 70.319 -8.577 9.504 1.00 0.00 C ATOM 332 CG ASP A 21 71.647 -8.788 10.223 1.00 0.00 C ATOM 333 OD1 ASP A 21 71.635 -9.368 11.297 1.00 0.00 O ATOM 334 OD2 ASP A 21 72.657 -8.348 9.698 1.00 0.00 O ATOM 0 H ASP A 21 68.754 -9.878 10.951 1.00 0.00 H new ATOM 0 HA ASP A 21 69.851 -7.222 11.055 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.938 -9.531 9.141 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.466 -7.940 8.632 1.00 0.00 H new ATOM 339 N THR A 22 67.221 -6.825 10.349 1.00 0.00 N ATOM 340 CA THR A 22 66.052 -6.281 9.687 1.00 0.00 C ATOM 341 C THR A 22 66.387 -5.017 8.932 1.00 0.00 C ATOM 342 O THR A 22 67.258 -4.247 9.315 1.00 0.00 O ATOM 343 CB THR A 22 65.017 -5.890 10.745 1.00 0.00 C ATOM 344 OG1 THR A 22 65.099 -4.491 10.978 1.00 0.00 O ATOM 345 CG2 THR A 22 65.310 -6.633 12.042 1.00 0.00 C ATOM 0 H THR A 22 67.172 -6.841 11.368 1.00 0.00 H new ATOM 0 HA THR A 22 65.679 -7.041 9.001 1.00 0.00 H new ATOM 0 HB THR A 22 64.018 -6.151 10.395 1.00 0.00 H new ATOM 0 HG1 THR A 22 64.438 -4.233 11.654 1.00 0.00 H new ATOM 0 HG21 THR A 22 64.573 -6.355 12.795 1.00 0.00 H new ATOM 0 HG22 THR A 22 65.260 -7.707 11.865 1.00 0.00 H new ATOM 0 HG23 THR A 22 66.307 -6.369 12.395 1.00 0.00 H new ATOM 353 N ILE A 23 65.684 -4.870 7.815 1.00 0.00 N ATOM 354 CA ILE A 23 65.855 -3.752 6.901 1.00 0.00 C ATOM 355 C ILE A 23 66.390 -2.516 7.619 1.00 0.00 C ATOM 356 O ILE A 23 67.239 -1.801 7.087 1.00 0.00 O ATOM 357 CB ILE A 23 64.507 -3.448 6.258 1.00 0.00 C ATOM 358 CG1 ILE A 23 63.732 -4.758 6.004 1.00 0.00 C ATOM 359 CG2 ILE A 23 64.702 -2.702 4.941 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.615 -5.797 5.289 1.00 0.00 C ATOM 0 H ILE A 23 64.970 -5.534 7.517 1.00 0.00 H new ATOM 0 HA ILE A 23 66.587 -4.022 6.140 1.00 0.00 H new ATOM 0 HB ILE A 23 63.934 -2.819 6.939 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.381 -5.166 6.952 1.00 0.00 H new ATOM 0 HG13 ILE A 23 62.849 -4.550 5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 23 63.730 -2.492 4.494 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.225 -1.764 5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 23 65.290 -3.316 4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.042 -6.709 5.124 1.00 0.00 H new ATOM 0 HD12 ILE A 23 64.944 -5.396 4.330 1.00 0.00 H new ATOM 0 HD13 ILE A 23 65.485 -6.022 5.906 1.00 0.00 H new ATOM 372 N GLU A 24 65.901 -2.277 8.829 1.00 0.00 N ATOM 373 CA GLU A 24 66.352 -1.128 9.606 1.00 0.00 C ATOM 374 C GLU A 24 67.832 -1.289 9.962 1.00 0.00 C ATOM 375 O GLU A 24 68.634 -0.381 9.752 1.00 0.00 O ATOM 376 CB GLU A 24 65.508 -1.006 10.879 1.00 0.00 C ATOM 377 CG GLU A 24 65.900 0.264 11.637 1.00 0.00 C ATOM 378 CD GLU A 24 65.084 0.373 12.922 1.00 0.00 C ATOM 379 OE1 GLU A 24 65.668 0.690 13.945 1.00 0.00 O ATOM 380 OE2 GLU A 24 63.888 0.138 12.863 1.00 0.00 O ATOM 0 H GLU A 24 65.199 -2.856 9.291 1.00 0.00 H new ATOM 0 HA GLU A 24 66.233 -0.221 9.014 1.00 0.00 H new ATOM 0 HB2 GLU A 24 64.449 -0.976 10.623 1.00 0.00 H new ATOM 0 HB3 GLU A 24 65.659 -1.880 11.512 1.00 0.00 H new ATOM 0 HG2 GLU A 24 66.964 0.244 11.872 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.728 1.140 11.011 1.00 0.00 H new ATOM 387 N ASN A 25 68.180 -2.460 10.486 1.00 0.00 N ATOM 388 CA ASN A 25 69.562 -2.760 10.854 1.00 0.00 C ATOM 389 C ASN A 25 70.425 -2.925 9.606 1.00 0.00 C ATOM 390 O ASN A 25 71.548 -2.420 9.543 1.00 0.00 O ATOM 391 CB ASN A 25 69.610 -4.054 11.671 1.00 0.00 C ATOM 392 CG ASN A 25 70.542 -3.887 12.866 1.00 0.00 C ATOM 393 OD1 ASN A 25 71.761 -3.978 12.722 1.00 0.00 O ATOM 394 ND2 ASN A 25 70.037 -3.647 14.045 1.00 0.00 N ATOM 0 H ASN A 25 67.523 -3.219 10.666 1.00 0.00 H new ATOM 0 HA ASN A 25 69.949 -1.932 11.448 1.00 0.00 H new ATOM 0 HB2 ASN A 25 68.609 -4.313 12.015 1.00 0.00 H new ATOM 0 HB3 ASN A 25 69.954 -4.876 11.044 1.00 0.00 H new ATOM 0 HD21 ASN A 25 70.653 -3.534 14.850 1.00 0.00 H new ATOM 0 HD22 ASN A 25 69.026 -3.572 14.161 1.00 0.00 H new ATOM 401 N ALA A 26 69.897 -3.643 8.620 1.00 0.00 N ATOM 402 CA ALA A 26 70.627 -3.881 7.378 1.00 0.00 C ATOM 403 C ALA A 26 70.971 -2.566 6.687 1.00 0.00 C ATOM 404 O ALA A 26 72.075 -2.397 6.170 1.00 0.00 O ATOM 405 CB ALA A 26 69.786 -4.748 6.439 1.00 0.00 C ATOM 0 H ALA A 26 68.971 -4.069 8.655 1.00 0.00 H new ATOM 0 HA ALA A 26 71.555 -4.398 7.622 1.00 0.00 H new ATOM 0 HB1 ALA A 26 70.336 -4.922 5.514 1.00 0.00 H new ATOM 0 HB2 ALA A 26 69.572 -5.703 6.919 1.00 0.00 H new ATOM 0 HB3 ALA A 26 68.850 -4.238 6.214 1.00 0.00 H new ATOM 411 N LYS A 27 70.021 -1.638 6.682 1.00 0.00 N ATOM 412 CA LYS A 27 70.241 -0.343 6.049 1.00 0.00 C ATOM 413 C LYS A 27 71.410 0.380 6.711 1.00 0.00 C ATOM 414 O LYS A 27 72.138 1.129 6.062 1.00 0.00 O ATOM 415 CB LYS A 27 68.980 0.517 6.166 1.00 0.00 C ATOM 416 CG LYS A 27 68.068 0.265 4.963 1.00 0.00 C ATOM 417 CD LYS A 27 66.637 0.685 5.315 1.00 0.00 C ATOM 418 CE LYS A 27 65.857 0.972 4.032 1.00 0.00 C ATOM 419 NZ LYS A 27 65.907 2.431 3.736 1.00 0.00 N ATOM 0 H LYS A 27 69.100 -1.756 7.104 1.00 0.00 H new ATOM 0 HA LYS A 27 70.473 -0.507 4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 27 68.452 0.281 7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 27 69.251 1.572 6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 27 68.422 0.828 4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 27 68.092 -0.790 4.688 1.00 0.00 H new ATOM 0 HD2 LYS A 27 66.145 -0.104 5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 27 66.653 1.571 5.949 1.00 0.00 H new ATOM 0 HE2 LYS A 27 66.281 0.407 3.202 1.00 0.00 H new ATOM 0 HE3 LYS A 27 64.822 0.648 4.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 64.956 2.839 3.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 66.556 2.898 4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 66.244 2.576 2.763 1.00 0.00 H new ATOM 433 N ALA A 28 71.580 0.147 8.009 1.00 0.00 N ATOM 434 CA ALA A 28 72.661 0.780 8.755 1.00 0.00 C ATOM 435 C ALA A 28 74.013 0.221 8.324 1.00 0.00 C ATOM 436 O ALA A 28 74.999 0.953 8.240 1.00 0.00 O ATOM 437 CB ALA A 28 72.463 0.546 10.255 1.00 0.00 C ATOM 0 H ALA A 28 70.987 -0.471 8.563 1.00 0.00 H new ATOM 0 HA ALA A 28 72.643 1.850 8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 28 73.274 1.021 10.807 1.00 0.00 H new ATOM 0 HB2 ALA A 28 71.511 0.975 10.568 1.00 0.00 H new ATOM 0 HB3 ALA A 28 72.463 -0.525 10.459 1.00 0.00 H new ATOM 443 N LYS A 29 74.053 -1.080 8.055 1.00 0.00 N ATOM 444 CA LYS A 29 75.293 -1.725 7.636 1.00 0.00 C ATOM 445 C LYS A 29 75.753 -1.181 6.287 1.00 0.00 C ATOM 446 O LYS A 29 76.938 -0.913 6.087 1.00 0.00 O ATOM 447 CB LYS A 29 75.088 -3.238 7.534 1.00 0.00 C ATOM 448 CG LYS A 29 74.895 -3.825 8.934 1.00 0.00 C ATOM 449 CD LYS A 29 74.818 -5.350 8.841 1.00 0.00 C ATOM 450 CE LYS A 29 74.880 -5.952 10.247 1.00 0.00 C ATOM 451 NZ LYS A 29 73.724 -5.459 11.049 1.00 0.00 N ATOM 0 H LYS A 29 73.249 -1.704 8.119 1.00 0.00 H new ATOM 0 HA LYS A 29 76.059 -1.512 8.381 1.00 0.00 H new ATOM 0 HB2 LYS A 29 74.219 -3.456 6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 29 75.949 -3.700 7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 29 75.722 -3.531 9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 29 73.983 -3.431 9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 29 73.893 -5.648 8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 29 75.640 -5.730 8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 29 74.859 -7.040 10.190 1.00 0.00 H new ATOM 0 HE3 LYS A 29 75.817 -5.676 10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 73.647 -6.015 11.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 73.868 -4.457 11.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 72.849 -5.561 10.496 1.00 0.00 H new ATOM 465 N ILE A 30 74.809 -1.020 5.367 1.00 0.00 N ATOM 466 CA ILE A 30 75.130 -0.509 4.039 1.00 0.00 C ATOM 467 C ILE A 30 75.531 0.960 4.113 1.00 0.00 C ATOM 468 O ILE A 30 76.456 1.397 3.428 1.00 0.00 O ATOM 469 CB ILE A 30 73.923 -0.671 3.116 1.00 0.00 C ATOM 470 CG1 ILE A 30 73.952 -2.070 2.502 1.00 0.00 C ATOM 471 CG2 ILE A 30 73.970 0.375 1.995 1.00 0.00 C ATOM 472 CD1 ILE A 30 72.541 -2.464 2.069 1.00 0.00 C ATOM 0 H ILE A 30 73.823 -1.234 5.514 1.00 0.00 H new ATOM 0 HA ILE A 30 75.969 -1.079 3.640 1.00 0.00 H new ATOM 0 HB ILE A 30 73.008 -0.532 3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 30 74.626 -2.089 1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 30 74.336 -2.789 3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 30 73.105 0.250 1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 30 73.955 1.375 2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 30 74.883 0.245 1.414 1.00 0.00 H new ATOM 0 HD11 ILE A 30 72.560 -3.462 1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 30 71.880 -2.461 2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 30 72.174 -1.751 1.331 1.00 0.00 H new ATOM 484 N GLN A 31 74.826 1.720 4.945 1.00 0.00 N ATOM 485 CA GLN A 31 75.116 3.139 5.095 1.00 0.00 C ATOM 486 C GLN A 31 76.569 3.345 5.510 1.00 0.00 C ATOM 487 O GLN A 31 77.249 4.232 5.000 1.00 0.00 O ATOM 488 CB GLN A 31 74.189 3.754 6.145 1.00 0.00 C ATOM 489 CG GLN A 31 74.581 5.214 6.382 1.00 0.00 C ATOM 490 CD GLN A 31 75.401 5.330 7.661 1.00 0.00 C ATOM 491 OE1 GLN A 31 76.623 5.191 7.631 1.00 0.00 O ATOM 492 NE2 GLN A 31 74.798 5.578 8.792 1.00 0.00 N ATOM 0 H GLN A 31 74.056 1.379 5.521 1.00 0.00 H new ATOM 0 HA GLN A 31 74.951 3.629 4.136 1.00 0.00 H new ATOM 0 HB2 GLN A 31 73.153 3.694 5.810 1.00 0.00 H new ATOM 0 HB3 GLN A 31 74.255 3.193 7.077 1.00 0.00 H new ATOM 0 HG2 GLN A 31 75.157 5.587 5.535 1.00 0.00 H new ATOM 0 HG3 GLN A 31 73.686 5.832 6.456 1.00 0.00 H new ATOM 0 HE21 GLN A 31 73.785 5.693 8.815 1.00 0.00 H new ATOM 0 HE22 GLN A 31 75.340 5.657 9.652 1.00 0.00 H new ATOM 501 N ASP A 32 77.040 2.519 6.435 1.00 0.00 N ATOM 502 CA ASP A 32 78.416 2.622 6.907 1.00 0.00 C ATOM 503 C ASP A 32 79.398 2.224 5.809 1.00 0.00 C ATOM 504 O ASP A 32 80.591 2.518 5.896 1.00 0.00 O ATOM 505 CB ASP A 32 78.618 1.720 8.126 1.00 0.00 C ATOM 506 CG ASP A 32 77.756 2.209 9.285 1.00 0.00 C ATOM 507 OD1 ASP A 32 77.839 1.618 10.349 1.00 0.00 O ATOM 508 OD2 ASP A 32 77.027 3.167 9.092 1.00 0.00 O ATOM 0 H ASP A 32 76.495 1.775 6.871 1.00 0.00 H new ATOM 0 HA ASP A 32 78.605 3.659 7.184 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.356 0.692 7.876 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.668 1.719 8.418 1.00 0.00 H new ATOM 513 N LYS A 33 78.893 1.546 4.782 1.00 0.00 N ATOM 514 CA LYS A 33 79.743 1.104 3.680 1.00 0.00 C ATOM 515 C LYS A 33 79.695 2.085 2.510 1.00 0.00 C ATOM 516 O LYS A 33 80.724 2.384 1.902 1.00 0.00 O ATOM 517 CB LYS A 33 79.294 -0.276 3.196 1.00 0.00 C ATOM 518 CG LYS A 33 79.646 -1.333 4.247 1.00 0.00 C ATOM 519 CD LYS A 33 80.809 -2.187 3.740 1.00 0.00 C ATOM 520 CE LYS A 33 81.162 -3.243 4.790 1.00 0.00 C ATOM 521 NZ LYS A 33 82.454 -2.885 5.440 1.00 0.00 N ATOM 0 H LYS A 33 77.909 1.292 4.690 1.00 0.00 H new ATOM 0 HA LYS A 33 80.767 1.056 4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 33 78.220 -0.276 3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 33 79.779 -0.515 2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 33 79.917 -0.851 5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 33 78.780 -1.963 4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 33 80.538 -2.669 2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 33 81.675 -1.557 3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 33 80.372 -3.306 5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 33 81.238 -4.225 4.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 82.694 -3.602 6.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 83.205 -2.846 4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 82.366 -1.956 5.899 1.00 0.00 H new ATOM 535 N GLU A 34 78.500 2.567 2.186 1.00 0.00 N ATOM 536 CA GLU A 34 78.342 3.495 1.067 1.00 0.00 C ATOM 537 C GLU A 34 78.211 4.938 1.548 1.00 0.00 C ATOM 538 O GLU A 34 78.499 5.873 0.801 1.00 0.00 O ATOM 539 CB GLU A 34 77.105 3.114 0.251 1.00 0.00 C ATOM 540 CG GLU A 34 77.268 1.694 -0.293 1.00 0.00 C ATOM 541 CD GLU A 34 76.263 1.446 -1.414 1.00 0.00 C ATOM 542 OE1 GLU A 34 76.696 1.270 -2.540 1.00 0.00 O ATOM 543 OE2 GLU A 34 75.078 1.436 -1.128 1.00 0.00 O ATOM 0 H GLU A 34 77.635 2.335 2.674 1.00 0.00 H new ATOM 0 HA GLU A 34 79.235 3.425 0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 34 76.213 3.176 0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 34 76.969 3.816 -0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 34 78.283 1.553 -0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 34 77.118 0.970 0.508 1.00 0.00 H new ATOM 550 N GLY A 35 77.772 5.120 2.787 1.00 0.00 N ATOM 551 CA GLY A 35 77.610 6.465 3.332 1.00 0.00 C ATOM 552 C GLY A 35 76.234 7.025 2.983 1.00 0.00 C ATOM 553 O GLY A 35 76.002 8.231 3.073 1.00 0.00 O ATOM 0 H GLY A 35 77.524 4.366 3.427 1.00 0.00 H new ATOM 0 HA2 GLY A 35 77.735 6.442 4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 35 78.386 7.120 2.935 1.00 0.00 H new ATOM 557 N ILE A 36 75.327 6.141 2.581 1.00 0.00 N ATOM 558 CA ILE A 36 73.976 6.557 2.216 1.00 0.00 C ATOM 559 C ILE A 36 73.044 6.462 3.434 1.00 0.00 C ATOM 560 O ILE A 36 73.050 5.449 4.133 1.00 0.00 O ATOM 561 CB ILE A 36 73.448 5.651 1.097 1.00 0.00 C ATOM 562 CG1 ILE A 36 74.463 5.611 -0.046 1.00 0.00 C ATOM 563 CG2 ILE A 36 72.121 6.203 0.573 1.00 0.00 C ATOM 564 CD1 ILE A 36 73.988 4.624 -1.114 1.00 0.00 C ATOM 0 H ILE A 36 75.500 5.139 2.500 1.00 0.00 H new ATOM 0 HA ILE A 36 74.004 7.591 1.871 1.00 0.00 H new ATOM 0 HB ILE A 36 73.295 4.645 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 36 74.579 6.605 -0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 36 75.441 5.312 0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 36 71.747 5.558 -0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.395 6.236 1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 36 72.274 7.209 0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 36 74.711 4.595 -1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 36 73.895 3.630 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 36 73.019 4.943 -1.499 1.00 0.00 H new ATOM 576 N PRO A 37 72.243 7.474 3.713 1.00 0.00 N ATOM 577 CA PRO A 37 71.310 7.442 4.880 1.00 0.00 C ATOM 578 C PRO A 37 70.097 6.535 4.616 1.00 0.00 C ATOM 579 O PRO A 37 69.530 6.576 3.527 1.00 0.00 O ATOM 580 CB PRO A 37 70.870 8.900 5.026 1.00 0.00 C ATOM 581 CG PRO A 37 70.980 9.479 3.657 1.00 0.00 C ATOM 582 CD PRO A 37 72.130 8.746 2.968 1.00 0.00 C ATOM 0 HA PRO A 37 71.783 7.040 5.776 1.00 0.00 H new ATOM 0 HB2 PRO A 37 69.849 8.968 5.402 1.00 0.00 H new ATOM 0 HB3 PRO A 37 71.505 9.435 5.732 1.00 0.00 H new ATOM 0 HG2 PRO A 37 70.050 9.348 3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 37 71.175 10.550 3.703 1.00 0.00 H new ATOM 0 HD2 PRO A 37 71.917 8.573 1.913 1.00 0.00 H new ATOM 0 HD3 PRO A 37 73.055 9.320 3.017 1.00 0.00 H new ATOM 590 N PRO A 38 69.680 5.727 5.571 1.00 0.00 N ATOM 591 CA PRO A 38 68.507 4.824 5.388 1.00 0.00 C ATOM 592 C PRO A 38 67.340 5.509 4.673 1.00 0.00 C ATOM 593 O PRO A 38 66.416 4.846 4.202 1.00 0.00 O ATOM 594 CB PRO A 38 68.112 4.450 6.817 1.00 0.00 C ATOM 595 CG PRO A 38 69.361 4.569 7.625 1.00 0.00 C ATOM 596 CD PRO A 38 70.269 5.576 6.916 1.00 0.00 C ATOM 0 HA PRO A 38 68.756 3.967 4.762 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.336 5.115 7.196 1.00 0.00 H new ATOM 0 HB3 PRO A 38 67.713 3.437 6.860 1.00 0.00 H new ATOM 0 HG2 PRO A 38 69.133 4.903 8.637 1.00 0.00 H new ATOM 0 HG3 PRO A 38 69.855 3.601 7.713 1.00 0.00 H new ATOM 0 HD2 PRO A 38 70.295 6.528 7.446 1.00 0.00 H new ATOM 0 HD3 PRO A 38 71.296 5.214 6.861 1.00 0.00 H new ATOM 604 N ASP A 39 67.382 6.835 4.612 1.00 0.00 N ATOM 605 CA ASP A 39 66.316 7.596 3.967 1.00 0.00 C ATOM 606 C ASP A 39 66.397 7.492 2.445 1.00 0.00 C ATOM 607 O ASP A 39 65.381 7.591 1.757 1.00 0.00 O ATOM 608 CB ASP A 39 66.406 9.067 4.380 1.00 0.00 C ATOM 609 CG ASP A 39 65.007 9.631 4.606 1.00 0.00 C ATOM 610 OD1 ASP A 39 64.204 9.554 3.691 1.00 0.00 O ATOM 611 OD2 ASP A 39 64.761 10.134 5.689 1.00 0.00 O ATOM 0 H ASP A 39 68.136 7.403 4.998 1.00 0.00 H new ATOM 0 HA ASP A 39 65.363 7.175 4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 39 66.997 9.162 5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 39 66.918 9.640 3.607 1.00 0.00 H new ATOM 616 N GLN A 40 67.607 7.299 1.926 1.00 0.00 N ATOM 617 CA GLN A 40 67.805 7.192 0.483 1.00 0.00 C ATOM 618 C GLN A 40 68.128 5.756 0.084 1.00 0.00 C ATOM 619 O GLN A 40 68.511 5.491 -1.056 1.00 0.00 O ATOM 620 CB GLN A 40 68.946 8.111 0.045 1.00 0.00 C ATOM 621 CG GLN A 40 68.371 9.441 -0.450 1.00 0.00 C ATOM 622 CD GLN A 40 69.489 10.470 -0.593 1.00 0.00 C ATOM 623 OE1 GLN A 40 70.050 10.629 -1.677 1.00 0.00 O ATOM 624 NE2 GLN A 40 69.846 11.178 0.441 1.00 0.00 N ATOM 0 H GLN A 40 68.460 7.214 2.479 1.00 0.00 H new ATOM 0 HA GLN A 40 66.881 7.492 -0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 40 69.627 8.285 0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 40 69.526 7.636 -0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 40 67.873 9.297 -1.409 1.00 0.00 H new ATOM 0 HG3 GLN A 40 67.618 9.804 0.249 1.00 0.00 H new ATOM 0 HE21 GLN A 40 69.378 11.043 1.337 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.593 11.867 0.354 1.00 0.00 H new ATOM 633 N GLN A 41 67.976 4.834 1.028 1.00 0.00 N ATOM 634 CA GLN A 41 68.262 3.429 0.759 1.00 0.00 C ATOM 635 C GLN A 41 66.973 2.651 0.518 1.00 0.00 C ATOM 636 O GLN A 41 66.041 2.708 1.321 1.00 0.00 O ATOM 637 CB GLN A 41 69.013 2.819 1.942 1.00 0.00 C ATOM 638 CG GLN A 41 70.289 3.619 2.203 1.00 0.00 C ATOM 639 CD GLN A 41 70.919 3.181 3.518 1.00 0.00 C ATOM 640 OE1 GLN A 41 71.110 3.996 4.420 1.00 0.00 O ATOM 641 NE2 GLN A 41 71.249 1.928 3.686 1.00 0.00 N ATOM 0 H GLN A 41 67.660 5.031 1.978 1.00 0.00 H new ATOM 0 HA GLN A 41 68.878 3.369 -0.138 1.00 0.00 H new ATOM 0 HB2 GLN A 41 68.380 2.824 2.830 1.00 0.00 H new ATOM 0 HB3 GLN A 41 69.260 1.778 1.732 1.00 0.00 H new ATOM 0 HG2 GLN A 41 70.994 3.471 1.385 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.060 4.684 2.237 1.00 0.00 H new ATOM 0 HE21 GLN A 41 71.090 1.254 2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 41 71.666 1.624 4.566 1.00 0.00 H new ATOM 650 N ARG A 42 66.930 1.922 -0.593 1.00 0.00 N ATOM 651 CA ARG A 42 65.755 1.129 -0.939 1.00 0.00 C ATOM 652 C ARG A 42 66.163 -0.287 -1.336 1.00 0.00 C ATOM 653 O ARG A 42 66.773 -0.494 -2.385 1.00 0.00 O ATOM 654 CB ARG A 42 65.002 1.786 -2.093 1.00 0.00 C ATOM 655 CG ARG A 42 63.518 1.890 -1.741 1.00 0.00 C ATOM 656 CD ARG A 42 62.729 2.302 -2.982 1.00 0.00 C ATOM 657 NE ARG A 42 61.791 3.369 -2.651 1.00 0.00 N ATOM 658 CZ ARG A 42 60.704 3.583 -3.387 1.00 0.00 C ATOM 659 NH1 ARG A 42 59.881 4.544 -3.068 1.00 0.00 N ATOM 660 NH2 ARG A 42 60.461 2.834 -4.427 1.00 0.00 N ATOM 0 H ARG A 42 67.693 1.864 -1.268 1.00 0.00 H new ATOM 0 HA ARG A 42 65.105 1.077 -0.065 1.00 0.00 H new ATOM 0 HB2 ARG A 42 65.410 2.777 -2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 42 65.130 1.202 -3.004 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.154 0.933 -1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 42 63.372 2.620 -0.945 1.00 0.00 H new ATOM 0 HD2 ARG A 42 63.413 2.638 -3.762 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.189 1.443 -3.380 1.00 0.00 H new ATOM 0 HE ARG A 42 61.972 3.962 -1.841 1.00 0.00 H new ATOM 0 HH11 ARG A 42 60.072 5.130 -2.255 1.00 0.00 H new ATOM 0 HH12 ARG A 42 59.047 4.709 -3.632 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.105 2.083 -4.676 1.00 0.00 H new ATOM 0 HH22 ARG A 42 59.627 2.999 -4.991 1.00 0.00 H new ATOM 674 N LEU A 43 65.825 -1.255 -0.491 1.00 0.00 N ATOM 675 CA LEU A 43 66.163 -2.648 -0.769 1.00 0.00 C ATOM 676 C LEU A 43 64.995 -3.358 -1.444 1.00 0.00 C ATOM 677 O LEU A 43 63.905 -3.452 -0.879 1.00 0.00 O ATOM 678 CB LEU A 43 66.518 -3.369 0.532 1.00 0.00 C ATOM 679 CG LEU A 43 67.572 -2.565 1.294 1.00 0.00 C ATOM 680 CD1 LEU A 43 67.925 -3.288 2.595 1.00 0.00 C ATOM 681 CD2 LEU A 43 68.829 -2.426 0.433 1.00 0.00 C ATOM 0 H LEU A 43 65.322 -1.104 0.384 1.00 0.00 H new ATOM 0 HA LEU A 43 67.022 -2.667 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 43 65.626 -3.492 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.896 -4.368 0.314 1.00 0.00 H new ATOM 0 HG LEU A 43 67.176 -1.576 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 43 68.676 -2.714 3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 43 67.031 -3.388 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 43 68.320 -4.278 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 43 69.580 -1.853 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 43 69.224 -3.416 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 43 68.580 -1.910 -0.494 1.00 0.00 H new ATOM 693 N ILE A 44 65.233 -3.857 -2.654 1.00 0.00 N ATOM 694 CA ILE A 44 64.199 -4.561 -3.406 1.00 0.00 C ATOM 695 C ILE A 44 64.580 -6.027 -3.585 1.00 0.00 C ATOM 696 O ILE A 44 65.738 -6.351 -3.845 1.00 0.00 O ATOM 697 CB ILE A 44 64.014 -3.906 -4.780 1.00 0.00 C ATOM 698 CG1 ILE A 44 63.066 -2.707 -4.657 1.00 0.00 C ATOM 699 CG2 ILE A 44 63.417 -4.919 -5.760 1.00 0.00 C ATOM 700 CD1 ILE A 44 63.661 -1.668 -3.703 1.00 0.00 C ATOM 0 H ILE A 44 66.131 -3.787 -3.134 1.00 0.00 H new ATOM 0 HA ILE A 44 63.264 -4.503 -2.850 1.00 0.00 H new ATOM 0 HB ILE A 44 64.984 -3.570 -5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 44 62.901 -2.261 -5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 44 62.094 -3.037 -4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 44 63.287 -4.449 -6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 44 64.088 -5.773 -5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 44 62.450 -5.258 -5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 44 62.982 -0.819 -3.620 1.00 0.00 H new ATOM 0 HD12 ILE A 44 63.803 -2.116 -2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 44 64.622 -1.328 -4.089 1.00 0.00 H new ATOM 712 N PHE A 45 63.597 -6.911 -3.445 1.00 0.00 N ATOM 713 CA PHE A 45 63.840 -8.342 -3.596 1.00 0.00 C ATOM 714 C PHE A 45 62.613 -9.034 -4.178 1.00 0.00 C ATOM 715 O PHE A 45 61.480 -8.710 -3.825 1.00 0.00 O ATOM 716 CB PHE A 45 64.185 -8.961 -2.240 1.00 0.00 C ATOM 717 CG PHE A 45 64.524 -10.422 -2.424 1.00 0.00 C ATOM 718 CD1 PHE A 45 63.668 -11.410 -1.924 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.697 -10.787 -3.097 1.00 0.00 C ATOM 720 CE1 PHE A 45 63.984 -12.763 -2.098 1.00 0.00 C ATOM 721 CE2 PHE A 45 66.013 -12.139 -3.269 1.00 0.00 C ATOM 722 CZ PHE A 45 65.156 -13.128 -2.771 1.00 0.00 C ATOM 0 H PHE A 45 62.631 -6.664 -3.229 1.00 0.00 H new ATOM 0 HA PHE A 45 64.678 -8.479 -4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 45 65.028 -8.435 -1.792 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.343 -8.856 -1.555 1.00 0.00 H new ATOM 0 HD1 PHE A 45 62.764 -11.129 -1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 45 66.357 -10.025 -3.483 1.00 0.00 H new ATOM 0 HE1 PHE A 45 63.323 -13.525 -1.713 1.00 0.00 H new ATOM 0 HE2 PHE A 45 66.919 -12.420 -3.786 1.00 0.00 H new ATOM 0 HZ PHE A 45 65.399 -14.172 -2.906 1.00 0.00 H new ATOM 732 N ALA A 46 62.847 -9.989 -5.073 1.00 0.00 N ATOM 733 CA ALA A 46 61.753 -10.721 -5.700 1.00 0.00 C ATOM 734 C ALA A 46 60.775 -9.757 -6.364 1.00 0.00 C ATOM 735 O ALA A 46 59.622 -10.104 -6.620 1.00 0.00 O ATOM 736 CB ALA A 46 61.015 -11.560 -4.652 1.00 0.00 C ATOM 0 H ALA A 46 63.778 -10.272 -5.378 1.00 0.00 H new ATOM 0 HA ALA A 46 62.171 -11.379 -6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.199 -12.103 -5.129 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.708 -12.270 -4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.612 -10.905 -3.880 1.00 0.00 H new ATOM 742 N GLY A 47 61.244 -8.544 -6.643 1.00 0.00 N ATOM 743 CA GLY A 47 60.403 -7.539 -7.278 1.00 0.00 C ATOM 744 C GLY A 47 59.539 -6.818 -6.249 1.00 0.00 C ATOM 745 O GLY A 47 58.808 -5.884 -6.581 1.00 0.00 O ATOM 0 H GLY A 47 62.195 -8.236 -6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 47 61.028 -6.817 -7.803 1.00 0.00 H new ATOM 0 HA3 GLY A 47 59.766 -8.012 -8.025 1.00 0.00 H new ATOM 749 N LYS A 48 59.629 -7.258 -4.998 1.00 0.00 N ATOM 750 CA LYS A 48 58.852 -6.649 -3.925 1.00 0.00 C ATOM 751 C LYS A 48 59.730 -5.725 -3.086 1.00 0.00 C ATOM 752 O LYS A 48 60.908 -6.007 -2.864 1.00 0.00 O ATOM 753 CB LYS A 48 58.250 -7.743 -3.039 1.00 0.00 C ATOM 754 CG LYS A 48 57.956 -7.179 -1.647 1.00 0.00 C ATOM 755 CD LYS A 48 56.947 -8.081 -0.934 1.00 0.00 C ATOM 756 CE LYS A 48 57.509 -9.501 -0.840 1.00 0.00 C ATOM 757 NZ LYS A 48 56.762 -10.264 0.200 1.00 0.00 N ATOM 0 H LYS A 48 60.228 -8.029 -4.704 1.00 0.00 H new ATOM 0 HA LYS A 48 58.049 -6.058 -4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 48 57.333 -8.124 -3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 48 58.940 -8.583 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 48 58.877 -7.115 -1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 48 57.560 -6.167 -1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 48 56.739 -7.694 0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 48 56.002 -8.088 -1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 48 57.424 -10.002 -1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 48 58.569 -9.468 -0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 57.408 -10.518 0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 55.989 -9.677 0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 56.368 -11.130 -0.221 1.00 0.00 H new ATOM 771 N GLN A 49 59.149 -4.624 -2.622 1.00 0.00 N ATOM 772 CA GLN A 49 59.888 -3.665 -1.807 1.00 0.00 C ATOM 773 C GLN A 49 59.872 -4.091 -0.342 1.00 0.00 C ATOM 774 O GLN A 49 58.855 -4.563 0.165 1.00 0.00 O ATOM 775 CB GLN A 49 59.265 -2.275 -1.944 1.00 0.00 C ATOM 776 CG GLN A 49 60.222 -1.225 -1.378 1.00 0.00 C ATOM 777 CD GLN A 49 59.444 0.019 -0.962 1.00 0.00 C ATOM 778 OE1 GLN A 49 59.452 0.395 0.209 1.00 0.00 O ATOM 779 NE2 GLN A 49 58.764 0.681 -1.858 1.00 0.00 N ATOM 0 H GLN A 49 58.175 -4.374 -2.794 1.00 0.00 H new ATOM 0 HA GLN A 49 60.920 -3.634 -2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 49 59.054 -2.062 -2.992 1.00 0.00 H new ATOM 0 HB3 GLN A 49 58.314 -2.238 -1.413 1.00 0.00 H new ATOM 0 HG2 GLN A 49 60.757 -1.633 -0.520 1.00 0.00 H new ATOM 0 HG3 GLN A 49 60.971 -0.963 -2.125 1.00 0.00 H new ATOM 0 HE21 GLN A 49 58.759 0.367 -2.829 1.00 0.00 H new ATOM 0 HE22 GLN A 49 58.238 1.512 -1.588 1.00 0.00 H new ATOM 788 N LEU A 50 61.005 -3.925 0.332 1.00 0.00 N ATOM 789 CA LEU A 50 61.107 -4.298 1.739 1.00 0.00 C ATOM 790 C LEU A 50 60.766 -3.113 2.639 1.00 0.00 C ATOM 791 O LEU A 50 61.346 -2.036 2.507 1.00 0.00 O ATOM 792 CB LEU A 50 62.523 -4.787 2.053 1.00 0.00 C ATOM 793 CG LEU A 50 62.947 -5.837 1.022 1.00 0.00 C ATOM 794 CD1 LEU A 50 64.362 -6.326 1.340 1.00 0.00 C ATOM 795 CD2 LEU A 50 61.978 -7.020 1.071 1.00 0.00 C ATOM 0 H LEU A 50 61.859 -3.538 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 50 60.395 -5.101 1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 50 63.219 -3.948 2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 50 62.557 -5.213 3.056 1.00 0.00 H new ATOM 0 HG LEU A 50 62.931 -5.393 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 50 64.662 -7.073 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 50 65.054 -5.485 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 50 64.379 -6.769 2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 50 62.279 -7.768 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 50 61.994 -7.462 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 50 60.970 -6.674 0.843 1.00 0.00 H new ATOM 807 N GLU A 51 59.827 -3.323 3.556 1.00 0.00 N ATOM 808 CA GLU A 51 59.420 -2.269 4.479 1.00 0.00 C ATOM 809 C GLU A 51 60.240 -2.343 5.759 1.00 0.00 C ATOM 810 O GLU A 51 60.723 -3.410 6.137 1.00 0.00 O ATOM 811 CB GLU A 51 57.933 -2.410 4.812 1.00 0.00 C ATOM 812 CG GLU A 51 57.099 -2.092 3.571 1.00 0.00 C ATOM 813 CD GLU A 51 57.122 -0.592 3.298 1.00 0.00 C ATOM 814 OE1 GLU A 51 57.492 -0.216 2.197 1.00 0.00 O ATOM 815 OE2 GLU A 51 56.770 0.159 4.190 1.00 0.00 O ATOM 0 H GLU A 51 59.336 -4.208 3.680 1.00 0.00 H new ATOM 0 HA GLU A 51 59.592 -1.304 4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 51 57.721 -3.422 5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 51 57.666 -1.735 5.625 1.00 0.00 H new ATOM 0 HG2 GLU A 51 57.492 -2.633 2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 51 56.072 -2.428 3.717 1.00 0.00 H new ATOM 822 N ASP A 52 60.401 -1.204 6.422 1.00 0.00 N ATOM 823 CA ASP A 52 61.170 -1.156 7.654 1.00 0.00 C ATOM 824 C ASP A 52 60.356 -1.712 8.819 1.00 0.00 C ATOM 825 O ASP A 52 59.327 -1.150 9.195 1.00 0.00 O ATOM 826 CB ASP A 52 61.586 0.282 7.954 1.00 0.00 C ATOM 827 CG ASP A 52 60.944 1.235 6.952 1.00 0.00 C ATOM 828 OD1 ASP A 52 59.826 1.659 7.197 1.00 0.00 O ATOM 829 OD2 ASP A 52 61.579 1.527 5.952 1.00 0.00 O ATOM 0 H ASP A 52 60.011 -0.308 6.128 1.00 0.00 H new ATOM 0 HA ASP A 52 62.061 -1.770 7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 52 61.286 0.551 8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 52 62.671 0.372 7.908 1.00 0.00 H new ATOM 834 N GLY A 53 60.825 -2.820 9.388 1.00 0.00 N ATOM 835 CA GLY A 53 60.134 -3.445 10.512 1.00 0.00 C ATOM 836 C GLY A 53 60.190 -4.966 10.411 1.00 0.00 C ATOM 837 O GLY A 53 60.250 -5.663 11.424 1.00 0.00 O ATOM 0 H GLY A 53 61.675 -3.300 9.092 1.00 0.00 H new ATOM 0 HA2 GLY A 53 60.589 -3.122 11.448 1.00 0.00 H new ATOM 0 HA3 GLY A 53 59.095 -3.116 10.533 1.00 0.00 H new ATOM 841 N ARG A 54 60.176 -5.473 9.183 1.00 0.00 N ATOM 842 CA ARG A 54 60.233 -6.914 8.961 1.00 0.00 C ATOM 843 C ARG A 54 61.684 -7.374 8.957 1.00 0.00 C ATOM 844 O ARG A 54 62.577 -6.603 8.609 1.00 0.00 O ATOM 845 CB ARG A 54 59.583 -7.275 7.621 1.00 0.00 C ATOM 846 CG ARG A 54 58.636 -6.157 7.178 1.00 0.00 C ATOM 847 CD ARG A 54 57.616 -5.872 8.283 1.00 0.00 C ATOM 848 NE ARG A 54 56.281 -5.739 7.711 1.00 0.00 N ATOM 849 CZ ARG A 54 55.232 -5.445 8.471 1.00 0.00 C ATOM 850 NH1 ARG A 54 54.052 -5.308 7.931 1.00 0.00 N ATOM 851 NH2 ARG A 54 55.380 -5.292 9.759 1.00 0.00 N ATOM 0 H ARG A 54 60.126 -4.913 8.332 1.00 0.00 H new ATOM 0 HA ARG A 54 59.690 -7.412 9.764 1.00 0.00 H new ATOM 0 HB2 ARG A 54 60.353 -7.431 6.865 1.00 0.00 H new ATOM 0 HB3 ARG A 54 59.034 -8.212 7.715 1.00 0.00 H new ATOM 0 HG2 ARG A 54 59.204 -5.254 6.954 1.00 0.00 H new ATOM 0 HG3 ARG A 54 58.122 -6.446 6.261 1.00 0.00 H new ATOM 0 HD2 ARG A 54 57.627 -6.679 9.016 1.00 0.00 H new ATOM 0 HD3 ARG A 54 57.886 -4.958 8.811 1.00 0.00 H new ATOM 0 HE ARG A 54 56.150 -5.874 6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 54 53.935 -5.427 6.925 1.00 0.00 H new ATOM 0 HH12 ARG A 54 53.247 -5.082 8.515 1.00 0.00 H new ATOM 0 HH21 ARG A 54 56.302 -5.398 10.183 1.00 0.00 H new ATOM 0 HH22 ARG A 54 54.574 -5.066 10.342 1.00 0.00 H new ATOM 865 N THR A 55 61.919 -8.623 9.353 1.00 0.00 N ATOM 866 CA THR A 55 63.280 -9.142 9.392 1.00 0.00 C ATOM 867 C THR A 55 63.581 -10.038 8.211 1.00 0.00 C ATOM 868 O THR A 55 62.682 -10.444 7.472 1.00 0.00 O ATOM 869 CB THR A 55 63.531 -9.892 10.694 1.00 0.00 C ATOM 870 OG1 THR A 55 62.755 -11.082 10.724 1.00 0.00 O ATOM 871 CG2 THR A 55 63.145 -8.988 11.854 1.00 0.00 C ATOM 0 H THR A 55 61.198 -9.282 9.646 1.00 0.00 H new ATOM 0 HA THR A 55 63.951 -8.285 9.336 1.00 0.00 H new ATOM 0 HB THR A 55 64.584 -10.164 10.771 1.00 0.00 H new ATOM 0 HG1 THR A 55 62.922 -11.560 11.563 1.00 0.00 H new ATOM 0 HG21 THR A 55 63.318 -9.510 12.795 1.00 0.00 H new ATOM 0 HG22 THR A 55 63.749 -8.081 11.825 1.00 0.00 H new ATOM 0 HG23 THR A 55 62.090 -8.724 11.774 1.00 0.00 H new ATOM 879 N LEU A 56 64.862 -10.338 8.035 1.00 0.00 N ATOM 880 CA LEU A 56 65.283 -11.180 6.935 1.00 0.00 C ATOM 881 C LEU A 56 64.550 -12.514 7.007 1.00 0.00 C ATOM 882 O LEU A 56 64.221 -13.113 5.983 1.00 0.00 O ATOM 883 CB LEU A 56 66.796 -11.439 7.007 1.00 0.00 C ATOM 884 CG LEU A 56 67.593 -10.174 6.647 1.00 0.00 C ATOM 885 CD1 LEU A 56 69.088 -10.475 6.753 1.00 0.00 C ATOM 886 CD2 LEU A 56 67.283 -9.744 5.214 1.00 0.00 C ATOM 0 H LEU A 56 65.618 -10.011 8.637 1.00 0.00 H new ATOM 0 HA LEU A 56 65.050 -10.673 5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 56 67.064 -11.768 8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 56 67.063 -12.247 6.325 1.00 0.00 H new ATOM 0 HG LEU A 56 67.315 -9.375 7.334 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.658 -9.581 6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 56 69.326 -10.780 7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 56 69.347 -11.279 6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 56 67.854 -8.847 4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 56 67.556 -10.545 4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 56 66.218 -9.533 5.120 1.00 0.00 H new ATOM 898 N SER A 57 64.296 -12.973 8.233 1.00 0.00 N ATOM 899 CA SER A 57 63.600 -14.240 8.434 1.00 0.00 C ATOM 900 C SER A 57 62.128 -14.118 8.047 1.00 0.00 C ATOM 901 O SER A 57 61.544 -15.052 7.498 1.00 0.00 O ATOM 902 CB SER A 57 63.707 -14.664 9.899 1.00 0.00 C ATOM 903 OG SER A 57 64.404 -15.901 9.980 1.00 0.00 O ATOM 0 H SER A 57 64.559 -12.491 9.092 1.00 0.00 H new ATOM 0 HA SER A 57 64.068 -14.992 7.798 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.231 -13.900 10.473 1.00 0.00 H new ATOM 0 HB3 SER A 57 62.713 -14.764 10.334 1.00 0.00 H new ATOM 0 HG SER A 57 64.476 -16.175 10.918 1.00 0.00 H new ATOM 909 N ASP A 58 61.534 -12.966 8.340 1.00 0.00 N ATOM 910 CA ASP A 58 60.128 -12.741 8.021 1.00 0.00 C ATOM 911 C ASP A 58 59.906 -12.741 6.511 1.00 0.00 C ATOM 912 O ASP A 58 58.864 -13.182 6.030 1.00 0.00 O ATOM 913 CB ASP A 58 59.666 -11.405 8.605 1.00 0.00 C ATOM 914 CG ASP A 58 59.907 -11.385 10.111 1.00 0.00 C ATOM 915 OD1 ASP A 58 60.182 -10.318 10.633 1.00 0.00 O ATOM 916 OD2 ASP A 58 59.812 -12.439 10.717 1.00 0.00 O ATOM 0 H ASP A 58 61.999 -12.180 8.794 1.00 0.00 H new ATOM 0 HA ASP A 58 59.546 -13.552 8.459 1.00 0.00 H new ATOM 0 HB2 ASP A 58 60.205 -10.585 8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 58 58.607 -11.253 8.395 1.00 0.00 H new ATOM 921 N TYR A 59 60.892 -12.245 5.772 1.00 0.00 N ATOM 922 CA TYR A 59 60.787 -12.198 4.318 1.00 0.00 C ATOM 923 C TYR A 59 61.279 -13.506 3.711 1.00 0.00 C ATOM 924 O TYR A 59 61.263 -13.684 2.494 1.00 0.00 O ATOM 925 CB TYR A 59 61.610 -11.032 3.768 1.00 0.00 C ATOM 926 CG TYR A 59 60.711 -9.837 3.551 1.00 0.00 C ATOM 927 CD1 TYR A 59 59.696 -9.894 2.589 1.00 0.00 C ATOM 928 CD2 TYR A 59 60.892 -8.674 4.309 1.00 0.00 C ATOM 929 CE1 TYR A 59 58.861 -8.788 2.385 1.00 0.00 C ATOM 930 CE2 TYR A 59 60.058 -7.568 4.106 1.00 0.00 C ATOM 931 CZ TYR A 59 59.043 -7.626 3.144 1.00 0.00 C ATOM 932 OH TYR A 59 58.220 -6.535 2.944 1.00 0.00 O ATOM 0 H TYR A 59 61.764 -11.874 6.150 1.00 0.00 H new ATOM 0 HA TYR A 59 59.740 -12.054 4.050 1.00 0.00 H new ATOM 0 HB2 TYR A 59 62.409 -10.777 4.464 1.00 0.00 H new ATOM 0 HB3 TYR A 59 62.084 -11.319 2.829 1.00 0.00 H new ATOM 0 HD1 TYR A 59 59.557 -10.791 2.004 1.00 0.00 H new ATOM 0 HD2 TYR A 59 61.676 -8.630 5.051 1.00 0.00 H new ATOM 0 HE1 TYR A 59 58.078 -8.832 1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 59 60.198 -6.671 4.691 1.00 0.00 H new ATOM 0 HH TYR A 59 58.127 -6.037 3.783 1.00 0.00 H new ATOM 942 N ASN A 60 61.715 -14.418 4.573 1.00 0.00 N ATOM 943 CA ASN A 60 62.207 -15.711 4.121 1.00 0.00 C ATOM 944 C ASN A 60 63.501 -15.549 3.329 1.00 0.00 C ATOM 945 O ASN A 60 63.895 -16.443 2.580 1.00 0.00 O ATOM 946 CB ASN A 60 61.154 -16.394 3.245 1.00 0.00 C ATOM 947 CG ASN A 60 61.058 -17.873 3.601 1.00 0.00 C ATOM 948 OD1 ASN A 60 60.994 -18.226 4.779 1.00 0.00 O ATOM 949 ND2 ASN A 60 61.041 -18.764 2.647 1.00 0.00 N ATOM 0 H ASN A 60 61.737 -14.285 5.584 1.00 0.00 H new ATOM 0 HA ASN A 60 62.407 -16.327 4.998 1.00 0.00 H new ATOM 0 HB2 ASN A 60 60.185 -15.914 3.386 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.416 -16.281 2.193 1.00 0.00 H new ATOM 0 HD21 ASN A 60 60.975 -19.756 2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 60 61.094 -18.469 1.672 1.00 0.00 H new ATOM 956 N ILE A 61 64.159 -14.406 3.498 1.00 0.00 N ATOM 957 CA ILE A 61 65.406 -14.150 2.788 1.00 0.00 C ATOM 958 C ILE A 61 66.462 -15.173 3.192 1.00 0.00 C ATOM 959 O ILE A 61 66.519 -15.599 4.347 1.00 0.00 O ATOM 960 CB ILE A 61 65.894 -12.727 3.075 1.00 0.00 C ATOM 961 CG1 ILE A 61 65.148 -11.768 2.134 1.00 0.00 C ATOM 962 CG2 ILE A 61 67.402 -12.633 2.812 1.00 0.00 C ATOM 963 CD1 ILE A 61 65.174 -10.339 2.680 1.00 0.00 C ATOM 0 H ILE A 61 63.854 -13.651 4.113 1.00 0.00 H new ATOM 0 HA ILE A 61 65.228 -14.244 1.717 1.00 0.00 H new ATOM 0 HB ILE A 61 65.702 -12.466 4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.606 -11.792 1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 61 64.116 -12.098 2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 61 67.745 -11.619 3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.929 -13.333 3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.606 -12.881 1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.640 -9.679 1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.694 -10.314 3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 61 66.207 -10.004 2.774 1.00 0.00 H new ATOM 975 N GLN A 62 67.285 -15.578 2.231 1.00 0.00 N ATOM 976 CA GLN A 62 68.321 -16.567 2.494 1.00 0.00 C ATOM 977 C GLN A 62 69.621 -15.893 2.919 1.00 0.00 C ATOM 978 O GLN A 62 69.739 -14.669 2.886 1.00 0.00 O ATOM 979 CB GLN A 62 68.568 -17.411 1.242 1.00 0.00 C ATOM 980 CG GLN A 62 67.422 -18.408 1.064 1.00 0.00 C ATOM 981 CD GLN A 62 67.333 -18.845 -0.394 1.00 0.00 C ATOM 982 OE1 GLN A 62 68.284 -18.668 -1.155 1.00 0.00 O ATOM 983 NE2 GLN A 62 66.239 -19.407 -0.833 1.00 0.00 N ATOM 0 H GLN A 62 67.255 -15.239 1.270 1.00 0.00 H new ATOM 0 HA GLN A 62 67.980 -17.209 3.306 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.643 -16.767 0.366 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.516 -17.942 1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 62 67.582 -19.276 1.703 1.00 0.00 H new ATOM 0 HG3 GLN A 62 66.481 -17.953 1.374 1.00 0.00 H new ATOM 0 HE21 GLN A 62 65.452 -19.553 -0.201 1.00 0.00 H new ATOM 0 HE22 GLN A 62 66.172 -19.700 -1.808 1.00 0.00 H new ATOM 992 N LYS A 63 70.589 -16.707 3.326 1.00 0.00 N ATOM 993 CA LYS A 63 71.876 -16.190 3.770 1.00 0.00 C ATOM 994 C LYS A 63 72.812 -15.965 2.597 1.00 0.00 C ATOM 995 O LYS A 63 73.916 -15.475 2.775 1.00 0.00 O ATOM 996 CB LYS A 63 72.521 -17.173 4.741 1.00 0.00 C ATOM 997 CG LYS A 63 72.686 -18.534 4.061 1.00 0.00 C ATOM 998 CD LYS A 63 72.143 -19.632 4.978 1.00 0.00 C ATOM 999 CE LYS A 63 72.488 -21.002 4.393 1.00 0.00 C ATOM 1000 NZ LYS A 63 72.071 -22.070 5.345 1.00 0.00 N ATOM 0 H LYS A 63 70.507 -17.723 3.357 1.00 0.00 H new ATOM 0 HA LYS A 63 71.701 -15.235 4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 63 73.492 -16.797 5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 63 71.905 -17.274 5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 63 72.154 -18.544 3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 63 73.738 -18.717 3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 63 72.571 -19.532 5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 63 71.063 -19.531 5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 63 71.985 -21.137 3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 63 73.559 -21.068 4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 72.306 -23.001 4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 72.570 -21.944 6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 71.045 -22.011 5.505 1.00 0.00 H new ATOM 1014 N GLU A 64 72.356 -16.328 1.408 1.00 0.00 N ATOM 1015 CA GLU A 64 73.143 -16.163 0.201 1.00 0.00 C ATOM 1016 C GLU A 64 72.349 -15.381 -0.843 1.00 0.00 C ATOM 1017 O GLU A 64 72.879 -14.993 -1.883 1.00 0.00 O ATOM 1018 CB GLU A 64 73.539 -17.531 -0.356 1.00 0.00 C ATOM 1019 CG GLU A 64 74.971 -17.850 0.075 1.00 0.00 C ATOM 1020 CD GLU A 64 75.300 -19.310 -0.226 1.00 0.00 C ATOM 1021 OE1 GLU A 64 75.512 -19.623 -1.385 1.00 0.00 O ATOM 1022 OE2 GLU A 64 75.349 -20.089 0.711 1.00 0.00 O ATOM 0 H GLU A 64 71.436 -16.742 1.255 1.00 0.00 H new ATOM 0 HA GLU A 64 74.047 -15.605 0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.856 -18.298 0.010 1.00 0.00 H new ATOM 0 HB3 GLU A 64 73.465 -17.530 -1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 64 75.670 -17.197 -0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 64 75.090 -17.655 1.141 1.00 0.00 H new ATOM 1029 N SER A 65 71.067 -15.174 -0.558 1.00 0.00 N ATOM 1030 CA SER A 65 70.180 -14.459 -1.473 1.00 0.00 C ATOM 1031 C SER A 65 70.831 -13.192 -2.021 1.00 0.00 C ATOM 1032 O SER A 65 71.702 -12.598 -1.383 1.00 0.00 O ATOM 1033 CB SER A 65 68.885 -14.089 -0.750 1.00 0.00 C ATOM 1034 OG SER A 65 67.832 -14.921 -1.218 1.00 0.00 O ATOM 0 H SER A 65 70.617 -15.491 0.301 1.00 0.00 H new ATOM 0 HA SER A 65 69.968 -15.121 -2.313 1.00 0.00 H new ATOM 0 HB2 SER A 65 69.008 -14.210 0.326 1.00 0.00 H new ATOM 0 HB3 SER A 65 68.642 -13.041 -0.927 1.00 0.00 H new ATOM 0 HG SER A 65 67.128 -14.366 -1.614 1.00 0.00 H new ATOM 1040 N THR A 66 70.384 -12.783 -3.206 1.00 0.00 N ATOM 1041 CA THR A 66 70.903 -11.580 -3.849 1.00 0.00 C ATOM 1042 C THR A 66 69.847 -10.477 -3.807 1.00 0.00 C ATOM 1043 O THR A 66 68.734 -10.656 -4.304 1.00 0.00 O ATOM 1044 CB THR A 66 71.273 -11.882 -5.302 1.00 0.00 C ATOM 1045 OG1 THR A 66 72.345 -12.813 -5.332 1.00 0.00 O ATOM 1046 CG2 THR A 66 71.697 -10.589 -6.003 1.00 0.00 C ATOM 0 H THR A 66 69.663 -13.268 -3.740 1.00 0.00 H new ATOM 0 HA THR A 66 71.794 -11.248 -3.316 1.00 0.00 H new ATOM 0 HB THR A 66 70.410 -12.304 -5.817 1.00 0.00 H new ATOM 0 HG1 THR A 66 72.582 -13.009 -6.262 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.960 -10.806 -7.038 1.00 0.00 H new ATOM 0 HG22 THR A 66 70.873 -9.876 -5.980 1.00 0.00 H new ATOM 0 HG23 THR A 66 72.560 -10.163 -5.491 1.00 0.00 H new ATOM 1054 N LEU A 67 70.194 -9.346 -3.201 1.00 0.00 N ATOM 1055 CA LEU A 67 69.259 -8.232 -3.089 1.00 0.00 C ATOM 1056 C LEU A 67 69.601 -7.121 -4.075 1.00 0.00 C ATOM 1057 O LEU A 67 70.727 -7.035 -4.566 1.00 0.00 O ATOM 1058 CB LEU A 67 69.295 -7.665 -1.667 1.00 0.00 C ATOM 1059 CG LEU A 67 68.957 -8.769 -0.668 1.00 0.00 C ATOM 1060 CD1 LEU A 67 70.158 -9.021 0.245 1.00 0.00 C ATOM 1061 CD2 LEU A 67 67.758 -8.339 0.179 1.00 0.00 C ATOM 0 H LEU A 67 71.109 -9.177 -2.783 1.00 0.00 H new ATOM 0 HA LEU A 67 68.262 -8.608 -3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 67 70.282 -7.256 -1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 67 68.583 -6.845 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 67 68.714 -9.684 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 67 69.914 -9.809 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 67 71.014 -9.327 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 67 70.402 -8.107 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 67 67.516 -9.126 0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 67 68.003 -7.424 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 67 66.900 -8.160 -0.469 1.00 0.00 H new ATOM 1073 N HIS A 68 68.618 -6.268 -4.344 1.00 0.00 N ATOM 1074 CA HIS A 68 68.808 -5.148 -5.259 1.00 0.00 C ATOM 1075 C HIS A 68 68.764 -3.836 -4.483 1.00 0.00 C ATOM 1076 O HIS A 68 67.790 -3.546 -3.789 1.00 0.00 O ATOM 1077 CB HIS A 68 67.715 -5.152 -6.329 1.00 0.00 C ATOM 1078 CG HIS A 68 67.828 -6.403 -7.157 1.00 0.00 C ATOM 1079 ND1 HIS A 68 67.890 -7.664 -6.585 1.00 0.00 N ATOM 1080 CD2 HIS A 68 67.895 -6.603 -8.513 1.00 0.00 C ATOM 1081 CE1 HIS A 68 67.989 -8.558 -7.584 1.00 0.00 C ATOM 1082 NE2 HIS A 68 67.996 -7.965 -8.781 1.00 0.00 N ATOM 0 H HIS A 68 67.683 -6.331 -3.942 1.00 0.00 H new ATOM 0 HA HIS A 68 69.779 -5.248 -5.744 1.00 0.00 H new ATOM 0 HB2 HIS A 68 66.732 -5.101 -5.860 1.00 0.00 H new ATOM 0 HB3 HIS A 68 67.811 -4.272 -6.965 1.00 0.00 H new ATOM 0 HD2 HIS A 68 67.873 -5.822 -9.259 1.00 0.00 H new ATOM 0 HE1 HIS A 68 68.055 -9.626 -7.437 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.061 -8.414 -9.695 1.00 0.00 H new ATOM 1090 N LEU A 69 69.830 -3.053 -4.592 1.00 0.00 N ATOM 1091 CA LEU A 69 69.905 -1.782 -3.884 1.00 0.00 C ATOM 1092 C LEU A 69 69.517 -0.625 -4.799 1.00 0.00 C ATOM 1093 O LEU A 69 70.292 -0.223 -5.669 1.00 0.00 O ATOM 1094 CB LEU A 69 71.327 -1.566 -3.357 1.00 0.00 C ATOM 1095 CG LEU A 69 71.366 -0.330 -2.456 1.00 0.00 C ATOM 1096 CD1 LEU A 69 71.685 -0.754 -1.023 1.00 0.00 C ATOM 1097 CD2 LEU A 69 72.447 0.630 -2.957 1.00 0.00 C ATOM 0 H LEU A 69 70.648 -3.273 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 69 69.205 -1.813 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 69 71.655 -2.444 -2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 69 72.018 -1.441 -4.191 1.00 0.00 H new ATOM 0 HG LEU A 69 70.397 0.169 -2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 69 71.713 0.126 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.916 -1.439 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 69 72.654 -1.252 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 69 72.476 1.511 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 69 73.416 0.131 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 69 72.220 0.932 -3.979 1.00 0.00 H new ATOM 1109 N VAL A 70 68.317 -0.091 -4.589 1.00 0.00 N ATOM 1110 CA VAL A 70 67.829 1.025 -5.393 1.00 0.00 C ATOM 1111 C VAL A 70 67.750 2.290 -4.546 1.00 0.00 C ATOM 1112 O VAL A 70 67.420 2.236 -3.361 1.00 0.00 O ATOM 1113 CB VAL A 70 66.446 0.699 -5.955 1.00 0.00 C ATOM 1114 CG1 VAL A 70 66.196 1.529 -7.216 1.00 0.00 C ATOM 1115 CG2 VAL A 70 66.373 -0.789 -6.301 1.00 0.00 C ATOM 0 H VAL A 70 67.667 -0.412 -3.872 1.00 0.00 H new ATOM 0 HA VAL A 70 68.523 1.190 -6.217 1.00 0.00 H new ATOM 0 HB VAL A 70 65.687 0.936 -5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 70 65.209 1.295 -7.616 1.00 0.00 H new ATOM 0 HG12 VAL A 70 66.246 2.590 -6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 70 66.955 1.294 -7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 70 65.386 -1.021 -6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 70 67.133 -1.027 -7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 70 66.548 -1.381 -5.402 1.00 0.00 H new ATOM 1125 N LEU A 71 68.057 3.429 -5.159 1.00 0.00 N ATOM 1126 CA LEU A 71 68.020 4.702 -4.448 1.00 0.00 C ATOM 1127 C LEU A 71 66.754 5.476 -4.799 1.00 0.00 C ATOM 1128 O LEU A 71 66.492 5.764 -5.967 1.00 0.00 O ATOM 1129 CB LEU A 71 69.249 5.538 -4.809 1.00 0.00 C ATOM 1130 CG LEU A 71 70.507 4.680 -4.674 1.00 0.00 C ATOM 1131 CD1 LEU A 71 71.741 5.531 -4.981 1.00 0.00 C ATOM 1132 CD2 LEU A 71 70.605 4.136 -3.246 1.00 0.00 C ATOM 0 H LEU A 71 68.332 3.497 -6.139 1.00 0.00 H new ATOM 0 HA LEU A 71 68.022 4.498 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 71 69.160 5.914 -5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 71 69.316 6.407 -4.154 1.00 0.00 H new ATOM 0 HG LEU A 71 70.455 3.848 -5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 71 72.638 4.919 -4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 71 71.673 5.917 -5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 71 71.793 6.364 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 71 71.502 3.524 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 71 70.656 4.967 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.727 3.529 -3.027 1.00 0.00 H new