USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 656 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0756 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.144 K(o=-0.14,f=-0.9) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -1.51 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 49 MET CE :methyl 136:sc= -0.237 (180deg=-1.4!) USER MOD Single : A 50 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.055) USER MOD Single : A 51 MET CE :methyl 157:sc= -0.028 (180deg=-1.03) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.814! C(o=-0.81!,f=-7.2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.684 K(o=-0.68,f=-3.5!) USER MOD Single : A 78 GLN : amide:sc= -0.125 K(o=-0.12,f=-0.67) USER MOD Single : A 82 LYS NZ :NH3+ 177:sc= 0.144 (180deg=0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.817 17.213 5.565 1.00 0.00 N ATOM 2 CA MET A 1 22.342 17.244 5.782 1.00 0.00 C ATOM 3 C MET A 1 21.833 18.687 5.756 1.00 0.00 C ATOM 4 O MET A 1 22.576 19.622 5.980 1.00 0.00 O ATOM 5 CB MET A 1 22.132 16.626 7.165 1.00 0.00 C ATOM 6 CG MET A 1 21.850 15.131 7.017 1.00 0.00 C ATOM 7 SD MET A 1 20.221 14.897 6.266 1.00 0.00 S ATOM 8 CE MET A 1 20.394 13.135 5.891 1.00 0.00 C ATOM 0 H1 MET A 1 24.253 16.550 6.237 1.00 0.00 H new ATOM 0 H2 MET A 1 24.018 16.903 4.593 1.00 0.00 H new ATOM 0 H3 MET A 1 24.210 18.164 5.714 1.00 0.00 H new ATOM 0 HA MET A 1 21.799 16.703 5.007 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.017 16.781 7.782 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.300 17.116 7.671 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.618 14.665 6.399 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.886 14.645 7.992 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.484 12.774 5.413 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.240 12.987 5.220 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.563 12.581 6.815 1.00 0.00 H new ATOM 20 N LYS A 2 20.570 18.875 5.485 1.00 0.00 N ATOM 21 CA LYS A 2 20.015 20.259 5.446 1.00 0.00 C ATOM 22 C LYS A 2 19.241 20.561 6.735 1.00 0.00 C ATOM 23 O LYS A 2 18.462 21.491 6.796 1.00 0.00 O ATOM 24 CB LYS A 2 19.075 20.273 4.240 1.00 0.00 C ATOM 25 CG LYS A 2 19.296 21.555 3.433 1.00 0.00 C ATOM 26 CD LYS A 2 19.038 21.276 1.951 1.00 0.00 C ATOM 27 CE LYS A 2 17.964 22.233 1.431 1.00 0.00 C ATOM 28 NZ LYS A 2 18.258 22.384 -0.022 1.00 0.00 N ATOM 0 H LYS A 2 19.899 18.132 5.289 1.00 0.00 H new ATOM 0 HA LYS A 2 20.797 21.014 5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 2 19.258 19.400 3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 2 18.039 20.215 4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 2 18.628 22.340 3.788 1.00 0.00 H new ATOM 0 HG3 LYS A 2 20.315 21.915 3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.959 21.401 1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.717 20.243 1.815 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.964 21.830 1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 2 18.008 23.193 1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.563 23.027 -0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.214 22.775 -0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 18.203 21.455 -0.486 1.00 0.00 H new ATOM 42 N LEU A 3 19.451 19.785 7.765 1.00 0.00 N ATOM 43 CA LEU A 3 18.725 20.032 9.045 1.00 0.00 C ATOM 44 C LEU A 3 17.217 20.133 8.793 1.00 0.00 C ATOM 45 O LEU A 3 16.681 21.206 8.598 1.00 0.00 O ATOM 46 CB LEU A 3 19.273 21.365 9.557 1.00 0.00 C ATOM 47 CG LEU A 3 20.290 21.105 10.670 1.00 0.00 C ATOM 48 CD1 LEU A 3 19.605 20.371 11.825 1.00 0.00 C ATOM 49 CD2 LEU A 3 21.434 20.249 10.127 1.00 0.00 C ATOM 0 H LEU A 3 20.093 18.992 7.776 1.00 0.00 H new ATOM 0 HA LEU A 3 18.871 19.225 9.763 1.00 0.00 H new ATOM 0 HB2 LEU A 3 19.743 21.914 8.741 1.00 0.00 H new ATOM 0 HB3 LEU A 3 18.459 21.985 9.932 1.00 0.00 H new ATOM 0 HG LEU A 3 20.687 22.055 11.028 1.00 0.00 H new ATOM 0 HD11 LEU A 3 20.329 20.185 12.618 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.790 20.983 12.213 1.00 0.00 H new ATOM 0 HD13 LEU A 3 19.207 19.421 11.468 1.00 0.00 H new ATOM 0 HD21 LEU A 3 22.158 20.064 10.920 1.00 0.00 H new ATOM 0 HD22 LEU A 3 21.039 19.299 9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 3 21.922 20.773 9.305 1.00 0.00 H new ATOM 61 N LYS A 4 16.529 19.024 8.796 1.00 0.00 N ATOM 62 CA LYS A 4 15.057 19.059 8.558 1.00 0.00 C ATOM 63 C LYS A 4 14.310 19.156 9.891 1.00 0.00 C ATOM 64 O LYS A 4 14.643 18.488 10.849 1.00 0.00 O ATOM 65 CB LYS A 4 14.738 17.737 7.859 1.00 0.00 C ATOM 66 CG LYS A 4 15.026 17.868 6.362 1.00 0.00 C ATOM 67 CD LYS A 4 13.878 17.245 5.564 1.00 0.00 C ATOM 68 CE LYS A 4 13.948 15.720 5.674 1.00 0.00 C ATOM 69 NZ LYS A 4 12.613 15.241 5.218 1.00 0.00 N ATOM 0 H LYS A 4 16.922 18.096 8.953 1.00 0.00 H new ATOM 0 HA LYS A 4 14.754 19.919 7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 4 15.338 16.934 8.286 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.692 17.473 8.017 1.00 0.00 H new ATOM 0 HG2 LYS A 4 15.141 18.918 6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.965 17.371 6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 4 12.921 17.604 5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.941 17.548 4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.746 15.315 5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.152 15.407 6.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.582 14.202 5.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.873 15.637 5.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.450 15.549 4.238 1.00 0.00 H new ATOM 83 N VAL A 5 13.303 19.984 9.960 1.00 0.00 N ATOM 84 CA VAL A 5 12.540 20.121 11.233 1.00 0.00 C ATOM 85 C VAL A 5 11.052 20.341 10.943 1.00 0.00 C ATOM 86 O VAL A 5 10.637 21.415 10.555 1.00 0.00 O ATOM 87 CB VAL A 5 13.141 21.347 11.923 1.00 0.00 C ATOM 88 CG1 VAL A 5 14.619 21.090 12.221 1.00 0.00 C ATOM 89 CG2 VAL A 5 13.010 22.565 11.007 1.00 0.00 C ATOM 0 H VAL A 5 12.976 20.570 9.192 1.00 0.00 H new ATOM 0 HA VAL A 5 12.610 19.228 11.853 1.00 0.00 H new ATOM 0 HB VAL A 5 12.609 21.536 12.855 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.048 21.963 12.713 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.713 20.223 12.875 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.151 20.901 11.288 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.438 23.438 11.499 1.00 0.00 H new ATOM 0 HG22 VAL A 5 13.541 22.377 10.074 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.957 22.749 10.794 1.00 0.00 H new ATOM 99 N THR A 6 10.248 19.331 11.131 1.00 0.00 N ATOM 100 CA THR A 6 8.787 19.481 10.871 1.00 0.00 C ATOM 101 C THR A 6 7.990 19.157 12.137 1.00 0.00 C ATOM 102 O THR A 6 6.919 18.587 12.078 1.00 0.00 O ATOM 103 CB THR A 6 8.476 18.469 9.765 1.00 0.00 C ATOM 104 OG1 THR A 6 9.576 18.397 8.869 1.00 0.00 O ATOM 105 CG2 THR A 6 7.224 18.909 9.005 1.00 0.00 C ATOM 0 H THR A 6 10.539 18.408 11.453 1.00 0.00 H new ATOM 0 HA THR A 6 8.520 20.497 10.580 1.00 0.00 H new ATOM 0 HB THR A 6 8.303 17.488 10.208 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.379 17.748 8.161 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.004 18.188 8.218 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.381 18.964 9.694 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.394 19.890 8.561 1.00 0.00 H new ATOM 113 N VAL A 7 8.510 19.520 13.281 1.00 0.00 N ATOM 114 CA VAL A 7 7.796 19.239 14.565 1.00 0.00 C ATOM 115 C VAL A 7 7.538 17.736 14.717 1.00 0.00 C ATOM 116 O VAL A 7 7.576 16.988 13.761 1.00 0.00 O ATOM 117 CB VAL A 7 6.475 20.009 14.474 1.00 0.00 C ATOM 118 CG1 VAL A 7 5.728 19.896 15.805 1.00 0.00 C ATOM 119 CG2 VAL A 7 6.760 21.482 14.175 1.00 0.00 C ATOM 0 H VAL A 7 9.403 20.002 13.383 1.00 0.00 H new ATOM 0 HA VAL A 7 8.382 19.546 15.431 1.00 0.00 H new ATOM 0 HB VAL A 7 5.864 19.588 13.675 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.788 20.443 15.742 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.524 18.847 16.020 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.340 20.317 16.603 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.819 22.029 14.110 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.371 21.904 14.973 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.293 21.564 13.228 1.00 0.00 H new ATOM 129 N ASN A 8 7.281 17.288 15.915 1.00 0.00 N ATOM 130 CA ASN A 8 7.024 15.834 16.128 1.00 0.00 C ATOM 131 C ASN A 8 5.538 15.596 16.403 1.00 0.00 C ATOM 132 O ASN A 8 5.051 15.830 17.492 1.00 0.00 O ATOM 133 CB ASN A 8 7.861 15.457 17.351 1.00 0.00 C ATOM 134 CG ASN A 8 8.949 14.462 16.938 1.00 0.00 C ATOM 135 OD1 ASN A 8 9.460 14.527 15.839 1.00 0.00 O ATOM 136 ND2 ASN A 8 9.323 13.538 17.780 1.00 0.00 N ATOM 0 H ASN A 8 7.238 17.864 16.755 1.00 0.00 H new ATOM 0 HA ASN A 8 7.287 15.237 15.255 1.00 0.00 H new ATOM 0 HB2 ASN A 8 8.314 16.349 17.784 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.224 15.018 18.119 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.046 12.869 17.515 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.893 13.485 18.703 1.00 0.00 H new ATOM 143 N GLY A 9 4.811 15.130 15.425 1.00 0.00 N ATOM 144 CA GLY A 9 3.357 14.878 15.632 1.00 0.00 C ATOM 145 C GLY A 9 3.176 13.735 16.633 1.00 0.00 C ATOM 146 O GLY A 9 4.012 13.505 17.484 1.00 0.00 O ATOM 0 H GLY A 9 5.161 14.913 14.492 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.869 15.780 16.002 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.882 14.624 14.684 1.00 0.00 H new ATOM 150 N ALA A 10 2.090 13.018 16.538 1.00 0.00 N ATOM 151 CA ALA A 10 1.855 11.890 17.484 1.00 0.00 C ATOM 152 C ALA A 10 2.810 10.733 17.176 1.00 0.00 C ATOM 153 O ALA A 10 3.841 10.914 16.559 1.00 0.00 O ATOM 154 CB ALA A 10 0.405 11.468 17.244 1.00 0.00 C ATOM 0 H ALA A 10 1.355 13.164 15.846 1.00 0.00 H new ATOM 0 HA ALA A 10 2.030 12.177 18.521 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.153 10.639 17.905 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.257 12.309 17.449 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.284 11.155 16.207 1.00 0.00 H new ATOM 160 N GLY A 11 2.475 9.546 17.601 1.00 0.00 N ATOM 161 CA GLY A 11 3.364 8.379 17.332 1.00 0.00 C ATOM 162 C GLY A 11 2.528 7.098 17.294 1.00 0.00 C ATOM 163 O GLY A 11 2.804 6.144 17.994 1.00 0.00 O ATOM 0 H GLY A 11 1.625 9.333 18.123 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.883 8.515 16.383 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.128 8.304 18.106 1.00 0.00 H new ATOM 167 N LYS A 12 1.507 7.069 16.483 1.00 0.00 N ATOM 168 CA LYS A 12 0.651 5.850 16.402 1.00 0.00 C ATOM 169 C LYS A 12 1.210 4.876 15.359 1.00 0.00 C ATOM 170 O LYS A 12 1.461 3.723 15.646 1.00 0.00 O ATOM 171 CB LYS A 12 -0.724 6.363 15.972 1.00 0.00 C ATOM 172 CG LYS A 12 -1.795 5.791 16.902 1.00 0.00 C ATOM 173 CD LYS A 12 -1.643 6.406 18.294 1.00 0.00 C ATOM 174 CE LYS A 12 -2.769 7.415 18.533 1.00 0.00 C ATOM 175 NZ LYS A 12 -3.920 6.599 19.011 1.00 0.00 N ATOM 0 H LYS A 12 1.227 7.837 15.872 1.00 0.00 H new ATOM 0 HA LYS A 12 0.610 5.311 17.348 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.744 7.452 16.004 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.927 6.070 14.942 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.788 6.004 16.505 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.700 4.707 16.960 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.673 5.625 19.053 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.675 6.898 18.382 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.480 8.162 19.273 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.019 7.952 17.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.733 7.221 19.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.177 5.902 18.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.655 6.104 19.887 1.00 0.00 H new ATOM 189 N ALA A 13 1.402 5.332 14.152 1.00 0.00 N ATOM 190 CA ALA A 13 1.942 4.430 13.093 1.00 0.00 C ATOM 191 C ALA A 13 3.341 3.940 13.476 1.00 0.00 C ATOM 192 O ALA A 13 3.695 3.887 14.637 1.00 0.00 O ATOM 193 CB ALA A 13 2.000 5.294 11.833 1.00 0.00 C ATOM 0 H ALA A 13 1.209 6.288 13.853 1.00 0.00 H new ATOM 0 HA ALA A 13 1.326 3.542 12.951 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.388 4.703 11.004 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.999 5.648 11.588 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.655 6.148 12.007 1.00 0.00 H new ATOM 199 N GLY A 14 4.139 3.578 12.507 1.00 0.00 N ATOM 200 CA GLY A 14 5.514 3.090 12.815 1.00 0.00 C ATOM 201 C GLY A 14 6.541 3.984 12.119 1.00 0.00 C ATOM 202 O GLY A 14 6.582 5.179 12.330 1.00 0.00 O ATOM 0 H GLY A 14 3.898 3.599 11.516 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.681 3.097 13.892 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.628 2.059 12.481 1.00 0.00 H new ATOM 206 N GLU A 15 7.370 3.414 11.288 1.00 0.00 N ATOM 207 CA GLU A 15 8.394 4.234 10.578 1.00 0.00 C ATOM 208 C GLU A 15 8.140 4.202 9.067 1.00 0.00 C ATOM 209 O GLU A 15 7.962 5.224 8.436 1.00 0.00 O ATOM 210 CB GLU A 15 9.734 3.578 10.912 1.00 0.00 C ATOM 211 CG GLU A 15 10.489 4.443 11.925 1.00 0.00 C ATOM 212 CD GLU A 15 11.314 5.496 11.183 1.00 0.00 C ATOM 213 OE1 GLU A 15 10.967 5.805 10.055 1.00 0.00 O ATOM 214 OE2 GLU A 15 12.278 5.978 11.755 1.00 0.00 O ATOM 0 H GLU A 15 7.383 2.418 11.070 1.00 0.00 H new ATOM 0 HA GLU A 15 8.369 5.280 10.883 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.571 2.581 11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.328 3.458 10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.785 4.928 12.601 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.141 3.820 12.537 1.00 0.00 H new ATOM 221 N GLY A 16 8.124 3.035 8.484 1.00 0.00 N ATOM 222 CA GLY A 16 7.882 2.938 7.015 1.00 0.00 C ATOM 223 C GLY A 16 6.382 3.065 6.716 1.00 0.00 C ATOM 224 O GLY A 16 5.976 3.117 5.572 1.00 0.00 O ATOM 0 H GLY A 16 8.268 2.144 8.960 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.432 3.723 6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.256 1.985 6.639 1.00 0.00 H new ATOM 228 N GLU A 17 5.554 3.117 7.727 1.00 0.00 N ATOM 229 CA GLU A 17 4.088 3.239 7.480 1.00 0.00 C ATOM 230 C GLU A 17 3.726 4.684 7.120 1.00 0.00 C ATOM 231 O GLU A 17 4.177 5.621 7.748 1.00 0.00 O ATOM 232 CB GLU A 17 3.431 2.838 8.801 1.00 0.00 C ATOM 233 CG GLU A 17 3.753 1.375 9.107 1.00 0.00 C ATOM 234 CD GLU A 17 3.470 1.089 10.583 1.00 0.00 C ATOM 235 OE1 GLU A 17 2.489 1.609 11.089 1.00 0.00 O ATOM 236 OE2 GLU A 17 4.238 0.354 11.181 1.00 0.00 O ATOM 0 H GLU A 17 5.829 3.080 8.709 1.00 0.00 H new ATOM 0 HA GLU A 17 3.757 2.614 6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.791 3.477 9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.352 2.979 8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.152 0.720 8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.798 1.166 8.879 1.00 0.00 H new ATOM 243 N ILE A 18 2.913 4.868 6.116 1.00 0.00 N ATOM 244 CA ILE A 18 2.519 6.251 5.716 1.00 0.00 C ATOM 245 C ILE A 18 1.262 6.683 6.485 1.00 0.00 C ATOM 246 O ILE A 18 0.188 6.169 6.243 1.00 0.00 O ATOM 247 CB ILE A 18 2.224 6.157 4.218 1.00 0.00 C ATOM 248 CG1 ILE A 18 3.479 5.683 3.481 1.00 0.00 C ATOM 249 CG2 ILE A 18 1.813 7.532 3.688 1.00 0.00 C ATOM 250 CD1 ILE A 18 3.288 4.232 3.033 1.00 0.00 C ATOM 0 H ILE A 18 2.504 4.121 5.555 1.00 0.00 H new ATOM 0 HA ILE A 18 3.295 6.985 5.935 1.00 0.00 H new ATOM 0 HB ILE A 18 1.413 5.448 4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.669 6.320 2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.349 5.762 4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.603 7.463 2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.920 7.872 4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.623 8.243 3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.181 3.893 2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.119 3.601 3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.428 4.167 2.366 1.00 0.00 H new ATOM 262 N PRO A 19 1.431 7.614 7.395 1.00 0.00 N ATOM 263 CA PRO A 19 0.282 8.099 8.199 1.00 0.00 C ATOM 264 C PRO A 19 -0.652 8.959 7.342 1.00 0.00 C ATOM 265 O PRO A 19 -0.238 9.580 6.383 1.00 0.00 O ATOM 266 CB PRO A 19 0.937 8.932 9.298 1.00 0.00 C ATOM 267 CG PRO A 19 2.251 9.363 8.728 1.00 0.00 C ATOM 268 CD PRO A 19 2.683 8.294 7.759 1.00 0.00 C ATOM 0 HA PRO A 19 -0.333 7.291 8.594 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.321 9.791 9.562 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.074 8.347 10.207 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.156 10.325 8.224 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.991 9.489 9.518 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.173 8.723 6.885 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.393 7.605 8.216 1.00 0.00 H new ATOM 276 N ALA A 20 -1.910 8.999 7.686 1.00 0.00 N ATOM 277 CA ALA A 20 -2.874 9.817 6.896 1.00 0.00 C ATOM 278 C ALA A 20 -3.152 11.146 7.613 1.00 0.00 C ATOM 279 O ALA A 20 -3.589 11.149 8.746 1.00 0.00 O ATOM 280 CB ALA A 20 -4.147 8.972 6.832 1.00 0.00 C ATOM 0 H ALA A 20 -2.312 8.501 8.480 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.493 10.062 5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.910 9.506 6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.929 8.022 6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.511 8.785 7.842 1.00 0.00 H new ATOM 286 N PRO A 21 -2.892 12.238 6.935 1.00 0.00 N ATOM 287 CA PRO A 21 -3.129 13.573 7.539 1.00 0.00 C ATOM 288 C PRO A 21 -4.630 13.866 7.616 1.00 0.00 C ATOM 289 O PRO A 21 -5.066 14.738 8.342 1.00 0.00 O ATOM 290 CB PRO A 21 -2.440 14.534 6.575 1.00 0.00 C ATOM 291 CG PRO A 21 -2.420 13.817 5.264 1.00 0.00 C ATOM 292 CD PRO A 21 -2.365 12.342 5.567 1.00 0.00 C ATOM 0 HA PRO A 21 -2.749 13.654 8.557 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.983 15.476 6.501 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.431 14.773 6.910 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.308 14.057 4.680 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.557 14.121 4.672 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.967 11.768 4.863 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.347 11.959 5.502 1.00 0.00 H new ATOM 300 N LEU A 22 -5.426 13.148 6.870 1.00 0.00 N ATOM 301 CA LEU A 22 -6.895 13.391 6.898 1.00 0.00 C ATOM 302 C LEU A 22 -7.650 12.061 6.956 1.00 0.00 C ATOM 303 O LEU A 22 -7.302 11.108 6.288 1.00 0.00 O ATOM 304 CB LEU A 22 -7.191 14.122 5.589 1.00 0.00 C ATOM 305 CG LEU A 22 -8.652 14.573 5.574 1.00 0.00 C ATOM 306 CD1 LEU A 22 -8.719 16.085 5.798 1.00 0.00 C ATOM 307 CD2 LEU A 22 -9.274 14.230 4.219 1.00 0.00 C ATOM 0 H LEU A 22 -5.121 12.404 6.243 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.206 13.967 7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.532 14.984 5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.993 13.466 4.741 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.201 14.064 6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.760 16.409 5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.272 16.330 6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.173 16.595 5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.316 14.550 4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.727 14.742 3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.223 13.153 4.058 1.00 0.00 H new ATOM 319 N ALA A 23 -8.685 11.989 7.748 1.00 0.00 N ATOM 320 CA ALA A 23 -9.462 10.721 7.847 1.00 0.00 C ATOM 321 C ALA A 23 -9.905 10.265 6.454 1.00 0.00 C ATOM 322 O ALA A 23 -10.271 11.065 5.616 1.00 0.00 O ATOM 323 CB ALA A 23 -10.676 11.065 8.712 1.00 0.00 C ATOM 0 H ALA A 23 -9.026 12.754 8.331 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.875 9.909 8.276 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.300 10.179 8.832 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.340 11.408 9.691 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.254 11.854 8.230 1.00 0.00 H new ATOM 329 N GLY A 24 -9.873 8.986 6.198 1.00 0.00 N ATOM 330 CA GLY A 24 -10.289 8.485 4.858 1.00 0.00 C ATOM 331 C GLY A 24 -11.211 7.276 5.023 1.00 0.00 C ATOM 332 O GLY A 24 -11.212 6.617 6.043 1.00 0.00 O ATOM 0 H GLY A 24 -9.577 8.267 6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.802 9.273 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.411 8.208 4.274 1.00 0.00 H new ATOM 336 N THR A 25 -11.995 6.978 4.023 1.00 0.00 N ATOM 337 CA THR A 25 -12.918 5.810 4.117 1.00 0.00 C ATOM 338 C THR A 25 -12.617 4.812 2.996 1.00 0.00 C ATOM 339 O THR A 25 -12.952 5.032 1.850 1.00 0.00 O ATOM 340 CB THR A 25 -14.321 6.397 3.953 1.00 0.00 C ATOM 341 OG1 THR A 25 -14.271 7.495 3.053 1.00 0.00 O ATOM 342 CG2 THR A 25 -14.838 6.873 5.312 1.00 0.00 C ATOM 0 H THR A 25 -12.037 7.493 3.144 1.00 0.00 H new ATOM 0 HA THR A 25 -12.812 5.273 5.059 1.00 0.00 H new ATOM 0 HB THR A 25 -14.991 5.633 3.558 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.170 7.871 2.946 1.00 0.00 H new ATOM 0 HG21 THR A 25 -15.838 7.291 5.195 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.876 6.030 6.002 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.169 7.637 5.708 1.00 0.00 H new ATOM 350 N VAL A 26 -11.983 3.718 3.318 1.00 0.00 N ATOM 351 CA VAL A 26 -11.649 2.700 2.276 1.00 0.00 C ATOM 352 C VAL A 26 -12.867 2.400 1.394 1.00 0.00 C ATOM 353 O VAL A 26 -13.979 2.781 1.700 1.00 0.00 O ATOM 354 CB VAL A 26 -11.252 1.452 3.062 1.00 0.00 C ATOM 355 CG1 VAL A 26 -12.402 1.053 3.984 1.00 0.00 C ATOM 356 CG2 VAL A 26 -10.952 0.308 2.093 1.00 0.00 C ATOM 0 H VAL A 26 -11.679 3.482 4.263 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.858 3.046 1.611 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.362 1.662 3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.124 0.162 4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.614 1.869 4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.290 0.843 3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.669 -0.581 2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.839 0.093 1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.133 0.595 1.433 1.00 0.00 H new ATOM 366 N SER A 27 -12.657 1.714 0.305 1.00 0.00 N ATOM 367 CA SER A 27 -13.792 1.374 -0.602 1.00 0.00 C ATOM 368 C SER A 27 -13.512 0.047 -1.311 1.00 0.00 C ATOM 369 O SER A 27 -14.381 -0.792 -1.450 1.00 0.00 O ATOM 370 CB SER A 27 -13.853 2.521 -1.610 1.00 0.00 C ATOM 371 OG SER A 27 -14.761 2.183 -2.650 1.00 0.00 O ATOM 0 H SER A 27 -11.745 1.372 0.002 1.00 0.00 H new ATOM 0 HA SER A 27 -14.734 1.258 -0.065 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.173 3.438 -1.116 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.862 2.710 -2.023 1.00 0.00 H new ATOM 0 HG SER A 27 -14.804 2.917 -3.298 1.00 0.00 H new ATOM 377 N LYS A 28 -12.301 -0.152 -1.759 1.00 0.00 N ATOM 378 CA LYS A 28 -11.957 -1.425 -2.456 1.00 0.00 C ATOM 379 C LYS A 28 -10.441 -1.637 -2.444 1.00 0.00 C ATOM 380 O LYS A 28 -9.690 -0.839 -2.967 1.00 0.00 O ATOM 381 CB LYS A 28 -12.459 -1.241 -3.889 1.00 0.00 C ATOM 382 CG LYS A 28 -13.746 -2.044 -4.088 1.00 0.00 C ATOM 383 CD LYS A 28 -13.747 -2.671 -5.483 1.00 0.00 C ATOM 384 CE LYS A 28 -15.183 -2.752 -6.007 1.00 0.00 C ATOM 385 NZ LYS A 28 -15.129 -2.147 -7.367 1.00 0.00 N ATOM 0 H LYS A 28 -11.533 0.514 -1.672 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.406 -2.294 -1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.642 -0.185 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.699 -1.572 -4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.823 -2.822 -3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.614 -1.395 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.135 -2.076 -6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.306 -3.667 -5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.531 -3.784 -6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.871 -2.208 -5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.078 -2.166 -7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.800 -1.163 -7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.471 -2.690 -7.962 1.00 0.00 H new ATOM 399 N ILE A 29 -9.985 -2.707 -1.851 1.00 0.00 N ATOM 400 CA ILE A 29 -8.516 -2.966 -1.811 1.00 0.00 C ATOM 401 C ILE A 29 -8.060 -3.601 -3.126 1.00 0.00 C ATOM 402 O ILE A 29 -8.816 -4.277 -3.794 1.00 0.00 O ATOM 403 CB ILE A 29 -8.314 -3.935 -0.645 1.00 0.00 C ATOM 404 CG1 ILE A 29 -6.821 -4.236 -0.486 1.00 0.00 C ATOM 405 CG2 ILE A 29 -9.068 -5.235 -0.923 1.00 0.00 C ATOM 406 CD1 ILE A 29 -6.424 -4.085 0.984 1.00 0.00 C ATOM 0 H ILE A 29 -10.564 -3.411 -1.394 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.937 -2.052 -1.681 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.695 -3.484 0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.604 -5.247 -0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.234 -3.556 -1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.923 -5.925 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.131 -5.022 -1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.688 -5.687 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.361 -4.299 1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.626 -3.065 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.002 -4.783 1.590 1.00 0.00 H new ATOM 418 N LEU A 30 -6.830 -3.389 -3.507 1.00 0.00 N ATOM 419 CA LEU A 30 -6.337 -3.981 -4.784 1.00 0.00 C ATOM 420 C LEU A 30 -5.310 -5.081 -4.503 1.00 0.00 C ATOM 421 O LEU A 30 -5.274 -6.093 -5.173 1.00 0.00 O ATOM 422 CB LEU A 30 -5.686 -2.818 -5.534 1.00 0.00 C ATOM 423 CG LEU A 30 -6.475 -2.531 -6.814 1.00 0.00 C ATOM 424 CD1 LEU A 30 -6.511 -3.787 -7.687 1.00 0.00 C ATOM 425 CD2 LEU A 30 -7.904 -2.123 -6.448 1.00 0.00 C ATOM 0 H LEU A 30 -6.147 -2.834 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.140 -4.441 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.663 -1.931 -4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.652 -3.062 -5.778 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.994 -1.723 -7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.073 -3.581 -8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.493 -4.079 -7.947 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.992 -4.597 -7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.468 -1.918 -7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.384 -2.933 -5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.879 -1.227 -5.827 1.00 0.00 H new ATOM 437 N VAL A 31 -4.474 -4.891 -3.518 1.00 0.00 N ATOM 438 CA VAL A 31 -3.452 -5.930 -3.202 1.00 0.00 C ATOM 439 C VAL A 31 -3.584 -6.378 -1.745 1.00 0.00 C ATOM 440 O VAL A 31 -4.279 -5.769 -0.956 1.00 0.00 O ATOM 441 CB VAL A 31 -2.105 -5.245 -3.432 1.00 0.00 C ATOM 442 CG1 VAL A 31 -1.985 -4.839 -4.903 1.00 0.00 C ATOM 443 CG2 VAL A 31 -2.010 -3.998 -2.550 1.00 0.00 C ATOM 0 H VAL A 31 -4.454 -4.065 -2.921 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.567 -6.821 -3.819 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.299 -5.933 -3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.025 -4.350 -5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.054 -5.726 -5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.791 -4.151 -5.157 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.050 -3.509 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.816 -3.310 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.097 -4.286 -1.502 1.00 0.00 H new ATOM 453 N LYS A 32 -2.920 -7.442 -1.381 1.00 0.00 N ATOM 454 CA LYS A 32 -3.004 -7.931 0.024 1.00 0.00 C ATOM 455 C LYS A 32 -1.610 -7.964 0.654 1.00 0.00 C ATOM 456 O LYS A 32 -0.684 -7.346 0.166 1.00 0.00 O ATOM 457 CB LYS A 32 -3.580 -9.344 -0.080 1.00 0.00 C ATOM 458 CG LYS A 32 -2.710 -10.185 -1.017 1.00 0.00 C ATOM 459 CD LYS A 32 -3.162 -11.644 -0.961 1.00 0.00 C ATOM 460 CE LYS A 32 -1.937 -12.560 -0.980 1.00 0.00 C ATOM 461 NZ LYS A 32 -2.490 -13.942 -0.917 1.00 0.00 N ATOM 0 H LYS A 32 -2.323 -7.994 -1.997 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.621 -7.286 0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.620 -9.805 0.907 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.603 -9.304 -0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.787 -9.809 -2.037 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.663 -10.106 -0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.747 -11.820 -0.058 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.810 -11.868 -1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.347 -12.412 -1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.280 -12.359 -0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.709 -14.629 -0.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.041 -14.056 -0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.106 -14.107 -1.739 1.00 0.00 H new ATOM 475 N GLU A 33 -1.450 -8.679 1.734 1.00 0.00 N ATOM 476 CA GLU A 33 -0.114 -8.747 2.391 1.00 0.00 C ATOM 477 C GLU A 33 0.763 -9.797 1.703 1.00 0.00 C ATOM 478 O GLU A 33 0.300 -10.855 1.324 1.00 0.00 O ATOM 479 CB GLU A 33 -0.402 -9.156 3.837 1.00 0.00 C ATOM 480 CG GLU A 33 0.842 -8.913 4.693 1.00 0.00 C ATOM 481 CD GLU A 33 0.983 -10.036 5.720 1.00 0.00 C ATOM 482 OE1 GLU A 33 0.605 -11.152 5.404 1.00 0.00 O ATOM 483 OE2 GLU A 33 1.466 -9.762 6.806 1.00 0.00 O ATOM 0 H GLU A 33 -2.186 -9.219 2.189 1.00 0.00 H new ATOM 0 HA GLU A 33 0.421 -7.799 2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.243 -8.583 4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.686 -10.208 3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.729 -8.871 4.061 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.766 -7.951 5.199 1.00 0.00 H new ATOM 490 N GLY A 34 2.027 -9.512 1.540 1.00 0.00 N ATOM 491 CA GLY A 34 2.932 -10.493 0.877 1.00 0.00 C ATOM 492 C GLY A 34 3.004 -10.201 -0.623 1.00 0.00 C ATOM 493 O GLY A 34 3.919 -10.621 -1.303 1.00 0.00 O ATOM 0 H GLY A 34 2.471 -8.643 1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.928 -10.437 1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.568 -11.507 1.042 1.00 0.00 H new ATOM 497 N ASP A 35 2.045 -9.489 -1.149 1.00 0.00 N ATOM 498 CA ASP A 35 2.061 -9.177 -2.607 1.00 0.00 C ATOM 499 C ASP A 35 3.192 -8.196 -2.931 1.00 0.00 C ATOM 500 O ASP A 35 3.843 -7.670 -2.049 1.00 0.00 O ATOM 501 CB ASP A 35 0.702 -8.539 -2.892 1.00 0.00 C ATOM 502 CG ASP A 35 -0.008 -9.322 -3.996 1.00 0.00 C ATOM 503 OD1 ASP A 35 0.597 -9.522 -5.038 1.00 0.00 O ATOM 504 OD2 ASP A 35 -1.146 -9.709 -3.784 1.00 0.00 O ATOM 0 H ASP A 35 1.251 -9.110 -0.633 1.00 0.00 H new ATOM 0 HA ASP A 35 2.230 -10.066 -3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.094 -8.533 -1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.833 -7.500 -3.195 1.00 0.00 H new ATOM 509 N THR A 36 3.428 -7.947 -4.189 1.00 0.00 N ATOM 510 CA THR A 36 4.512 -6.999 -4.574 1.00 0.00 C ATOM 511 C THR A 36 3.918 -5.790 -5.304 1.00 0.00 C ATOM 512 O THR A 36 3.095 -5.931 -6.187 1.00 0.00 O ATOM 513 CB THR A 36 5.424 -7.799 -5.508 1.00 0.00 C ATOM 514 OG1 THR A 36 6.025 -8.860 -4.781 1.00 0.00 O ATOM 515 CG2 THR A 36 6.513 -6.885 -6.072 1.00 0.00 C ATOM 0 H THR A 36 2.916 -8.360 -4.969 1.00 0.00 H new ATOM 0 HA THR A 36 5.054 -6.614 -3.710 1.00 0.00 H new ATOM 0 HB THR A 36 4.835 -8.206 -6.330 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.608 -9.375 -5.376 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.160 -7.457 -6.736 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.051 -6.070 -6.629 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.104 -6.476 -5.253 1.00 0.00 H new ATOM 523 N VAL A 37 4.326 -4.606 -4.940 1.00 0.00 N ATOM 524 CA VAL A 37 3.781 -3.391 -5.614 1.00 0.00 C ATOM 525 C VAL A 37 4.924 -2.528 -6.158 1.00 0.00 C ATOM 526 O VAL A 37 6.026 -2.544 -5.646 1.00 0.00 O ATOM 527 CB VAL A 37 3.015 -2.644 -4.521 1.00 0.00 C ATOM 528 CG1 VAL A 37 1.876 -3.527 -4.008 1.00 0.00 C ATOM 529 CG2 VAL A 37 3.962 -2.310 -3.368 1.00 0.00 C ATOM 0 H VAL A 37 5.012 -4.426 -4.207 1.00 0.00 H new ATOM 0 HA VAL A 37 3.143 -3.639 -6.462 1.00 0.00 H new ATOM 0 HB VAL A 37 2.605 -1.720 -4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.328 -2.998 -3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.200 -3.763 -4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.287 -4.450 -3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.415 -1.778 -2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.373 -3.232 -2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.774 -1.682 -3.734 1.00 0.00 H new ATOM 539 N LYS A 38 4.669 -1.776 -7.195 1.00 0.00 N ATOM 540 CA LYS A 38 5.740 -0.916 -7.776 1.00 0.00 C ATOM 541 C LYS A 38 5.434 0.564 -7.520 1.00 0.00 C ATOM 542 O LYS A 38 4.324 0.930 -7.186 1.00 0.00 O ATOM 543 CB LYS A 38 5.713 -1.215 -9.275 1.00 0.00 C ATOM 544 CG LYS A 38 7.112 -1.019 -9.863 1.00 0.00 C ATOM 545 CD LYS A 38 7.036 -1.070 -11.390 1.00 0.00 C ATOM 546 CE LYS A 38 8.015 -0.056 -11.986 1.00 0.00 C ATOM 547 NZ LYS A 38 8.026 -0.347 -13.447 1.00 0.00 N ATOM 0 H LYS A 38 3.765 -1.720 -7.665 1.00 0.00 H new ATOM 0 HA LYS A 38 6.716 -1.118 -7.334 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.376 -2.237 -9.446 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.002 -0.557 -9.775 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.523 -0.062 -9.541 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.784 -1.794 -9.496 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.276 -2.073 -11.743 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.021 -0.849 -11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.693 0.967 -11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.010 -0.166 -11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.676 0.308 -13.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.343 -1.325 -13.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.067 -0.228 -13.832 1.00 0.00 H new ATOM 561 N ALA A 39 6.410 1.416 -7.674 1.00 0.00 N ATOM 562 CA ALA A 39 6.177 2.870 -7.442 1.00 0.00 C ATOM 563 C ALA A 39 5.166 3.413 -8.455 1.00 0.00 C ATOM 564 O ALA A 39 5.464 3.565 -9.623 1.00 0.00 O ATOM 565 CB ALA A 39 7.544 3.527 -7.644 1.00 0.00 C ATOM 0 H ALA A 39 7.360 1.168 -7.951 1.00 0.00 H new ATOM 0 HA ALA A 39 5.771 3.070 -6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.457 4.603 -7.490 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.255 3.114 -6.928 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.895 3.333 -8.658 1.00 0.00 H new ATOM 571 N GLY A 40 3.972 3.705 -8.018 1.00 0.00 N ATOM 572 CA GLY A 40 2.946 4.237 -8.959 1.00 0.00 C ATOM 573 C GLY A 40 1.862 3.180 -9.213 1.00 0.00 C ATOM 574 O GLY A 40 0.921 3.414 -9.944 1.00 0.00 O ATOM 0 H GLY A 40 3.663 3.599 -7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.495 5.139 -8.545 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.417 4.519 -9.901 1.00 0.00 H new ATOM 578 N GLN A 41 1.981 2.019 -8.620 1.00 0.00 N ATOM 579 CA GLN A 41 0.949 0.964 -8.840 1.00 0.00 C ATOM 580 C GLN A 41 -0.159 1.084 -7.792 1.00 0.00 C ATOM 581 O GLN A 41 0.096 1.114 -6.604 1.00 0.00 O ATOM 582 CB GLN A 41 1.697 -0.360 -8.681 1.00 0.00 C ATOM 583 CG GLN A 41 0.947 -1.464 -9.431 1.00 0.00 C ATOM 584 CD GLN A 41 1.113 -2.790 -8.686 1.00 0.00 C ATOM 585 OE1 GLN A 41 0.440 -3.038 -7.706 1.00 0.00 O ATOM 586 NE2 GLN A 41 1.988 -3.660 -9.114 1.00 0.00 N ATOM 0 H GLN A 41 2.745 1.758 -7.996 1.00 0.00 H new ATOM 0 HA GLN A 41 0.473 1.048 -9.817 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.711 -0.266 -9.070 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.783 -0.617 -7.625 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.110 -1.210 -9.512 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.332 -1.555 -10.447 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.553 -3.452 -9.937 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.106 -4.547 -8.625 1.00 0.00 H new ATOM 595 N THR A 42 -1.389 1.153 -8.221 1.00 0.00 N ATOM 596 CA THR A 42 -2.513 1.270 -7.249 1.00 0.00 C ATOM 597 C THR A 42 -2.446 0.140 -6.220 1.00 0.00 C ATOM 598 O THR A 42 -2.227 -1.007 -6.554 1.00 0.00 O ATOM 599 CB THR A 42 -3.782 1.149 -8.096 1.00 0.00 C ATOM 600 OG1 THR A 42 -3.615 1.877 -9.305 1.00 0.00 O ATOM 601 CG2 THR A 42 -4.972 1.712 -7.319 1.00 0.00 C ATOM 0 H THR A 42 -1.665 1.133 -9.203 1.00 0.00 H new ATOM 0 HA THR A 42 -2.480 2.206 -6.692 1.00 0.00 H new ATOM 0 HB THR A 42 -3.966 0.100 -8.327 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.427 1.799 -9.849 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.875 1.625 -7.923 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.100 1.152 -6.393 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.791 2.761 -7.086 1.00 0.00 H new ATOM 609 N VAL A 43 -2.637 0.458 -4.969 1.00 0.00 N ATOM 610 CA VAL A 43 -2.591 -0.596 -3.915 1.00 0.00 C ATOM 611 C VAL A 43 -3.943 -0.682 -3.207 1.00 0.00 C ATOM 612 O VAL A 43 -4.409 -1.750 -2.865 1.00 0.00 O ATOM 613 CB VAL A 43 -1.505 -0.135 -2.942 1.00 0.00 C ATOM 614 CG1 VAL A 43 -1.401 -1.133 -1.786 1.00 0.00 C ATOM 615 CG2 VAL A 43 -0.164 -0.061 -3.672 1.00 0.00 C ATOM 0 H VAL A 43 -2.823 1.402 -4.631 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.378 -1.584 -4.323 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.761 0.850 -2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.627 -0.806 -1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.357 -1.187 -1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.145 -2.118 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.610 0.268 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.093 -1.046 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.237 0.648 -4.497 1.00 0.00 H new ATOM 625 N LEU A 44 -4.574 0.438 -2.985 1.00 0.00 N ATOM 626 CA LEU A 44 -5.898 0.421 -2.297 1.00 0.00 C ATOM 627 C LEU A 44 -6.783 1.563 -2.806 1.00 0.00 C ATOM 628 O LEU A 44 -6.304 2.535 -3.353 1.00 0.00 O ATOM 629 CB LEU A 44 -5.574 0.615 -0.814 1.00 0.00 C ATOM 630 CG LEU A 44 -5.971 -0.643 -0.038 1.00 0.00 C ATOM 631 CD1 LEU A 44 -4.852 -1.015 0.937 1.00 0.00 C ATOM 632 CD2 LEU A 44 -7.259 -0.375 0.744 1.00 0.00 C ATOM 0 H LEU A 44 -4.232 1.362 -3.249 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.444 -0.504 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.510 0.814 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.109 1.481 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.133 -1.464 -0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.134 -1.911 1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.934 -1.206 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.690 -0.194 1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.542 -1.271 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.097 0.446 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.057 -0.109 0.051 1.00 0.00 H new ATOM 644 N VAL A 45 -8.072 1.451 -2.629 1.00 0.00 N ATOM 645 CA VAL A 45 -8.988 2.532 -3.101 1.00 0.00 C ATOM 646 C VAL A 45 -9.642 3.223 -1.902 1.00 0.00 C ATOM 647 O VAL A 45 -10.375 2.616 -1.147 1.00 0.00 O ATOM 648 CB VAL A 45 -10.039 1.820 -3.953 1.00 0.00 C ATOM 649 CG1 VAL A 45 -11.006 2.853 -4.538 1.00 0.00 C ATOM 650 CG2 VAL A 45 -9.348 1.066 -5.092 1.00 0.00 C ATOM 0 H VAL A 45 -8.531 0.659 -2.179 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.465 3.303 -3.667 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.592 1.114 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.756 2.346 -5.146 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -11.498 3.390 -3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.453 3.559 -5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.097 0.558 -5.699 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.795 1.771 -5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.659 0.331 -4.676 1.00 0.00 H new ATOM 660 N LEU A 46 -9.379 4.488 -1.718 1.00 0.00 N ATOM 661 CA LEU A 46 -9.982 5.215 -0.564 1.00 0.00 C ATOM 662 C LEU A 46 -11.173 6.059 -1.028 1.00 0.00 C ATOM 663 O LEU A 46 -11.249 6.471 -2.168 1.00 0.00 O ATOM 664 CB LEU A 46 -8.862 6.112 -0.036 1.00 0.00 C ATOM 665 CG LEU A 46 -9.297 6.753 1.284 1.00 0.00 C ATOM 666 CD1 LEU A 46 -8.339 6.331 2.400 1.00 0.00 C ATOM 667 CD2 LEU A 46 -9.275 8.275 1.144 1.00 0.00 C ATOM 0 H LEU A 46 -8.773 5.050 -2.316 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.358 4.535 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.954 5.528 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.626 6.885 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.307 6.424 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.650 6.788 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.355 5.246 2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.328 6.658 2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.585 8.731 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.265 8.603 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.959 8.577 0.351 1.00 0.00 H new ATOM 679 N GLU A 47 -12.103 6.318 -0.150 1.00 0.00 N ATOM 680 CA GLU A 47 -13.290 7.135 -0.531 1.00 0.00 C ATOM 681 C GLU A 47 -13.189 8.531 0.091 1.00 0.00 C ATOM 682 O GLU A 47 -12.760 8.689 1.218 1.00 0.00 O ATOM 683 CB GLU A 47 -14.489 6.377 0.039 1.00 0.00 C ATOM 684 CG GLU A 47 -15.734 6.680 -0.797 1.00 0.00 C ATOM 685 CD GLU A 47 -16.929 5.913 -0.227 1.00 0.00 C ATOM 686 OE1 GLU A 47 -17.476 6.361 0.766 1.00 0.00 O ATOM 687 OE2 GLU A 47 -17.276 4.890 -0.795 1.00 0.00 O ATOM 0 H GLU A 47 -12.092 5.998 0.818 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.371 7.273 -1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.289 5.306 0.036 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.656 6.668 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.938 7.751 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.566 6.394 -1.835 1.00 0.00 H new ATOM 694 N ALA A 48 -13.580 9.545 -0.631 1.00 0.00 N ATOM 695 CA ALA A 48 -13.504 10.928 -0.078 1.00 0.00 C ATOM 696 C ALA A 48 -14.309 11.894 -0.952 1.00 0.00 C ATOM 697 O ALA A 48 -15.206 11.498 -1.668 1.00 0.00 O ATOM 698 CB ALA A 48 -12.017 11.284 -0.109 1.00 0.00 C ATOM 0 H ALA A 48 -13.949 9.476 -1.580 1.00 0.00 H new ATOM 0 HA ALA A 48 -13.918 10.995 0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.876 12.291 0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.460 10.575 0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.654 11.241 -1.136 1.00 0.00 H new ATOM 704 N MET A 49 -13.995 13.160 -0.896 1.00 0.00 N ATOM 705 CA MET A 49 -14.742 14.153 -1.722 1.00 0.00 C ATOM 706 C MET A 49 -14.758 13.718 -3.189 1.00 0.00 C ATOM 707 O MET A 49 -15.654 14.057 -3.938 1.00 0.00 O ATOM 708 CB MET A 49 -13.968 15.463 -1.563 1.00 0.00 C ATOM 709 CG MET A 49 -14.431 16.181 -0.294 1.00 0.00 C ATOM 710 SD MET A 49 -13.732 17.851 -0.258 1.00 0.00 S ATOM 711 CE MET A 49 -14.710 18.536 -1.619 1.00 0.00 C ATOM 0 H MET A 49 -13.254 13.550 -0.314 1.00 0.00 H new ATOM 0 HA MET A 49 -15.781 14.251 -1.408 1.00 0.00 H new ATOM 0 HB2 MET A 49 -12.898 15.261 -1.509 1.00 0.00 H new ATOM 0 HB3 MET A 49 -14.129 16.100 -2.433 1.00 0.00 H new ATOM 0 HG2 MET A 49 -15.520 16.230 -0.267 1.00 0.00 H new ATOM 0 HG3 MET A 49 -14.115 15.624 0.588 1.00 0.00 H new ATOM 0 HE1 MET A 49 -15.073 19.526 -1.344 1.00 0.00 H new ATOM 0 HE2 MET A 49 -14.089 18.612 -2.511 1.00 0.00 H new ATOM 0 HE3 MET A 49 -15.558 17.883 -1.822 1.00 0.00 H new ATOM 721 N LYS A 50 -13.773 12.972 -3.608 1.00 0.00 N ATOM 722 CA LYS A 50 -13.729 12.519 -5.028 1.00 0.00 C ATOM 723 C LYS A 50 -14.485 11.195 -5.203 1.00 0.00 C ATOM 724 O LYS A 50 -14.662 10.719 -6.305 1.00 0.00 O ATOM 725 CB LYS A 50 -12.244 12.328 -5.335 1.00 0.00 C ATOM 726 CG LYS A 50 -11.802 13.350 -6.383 1.00 0.00 C ATOM 727 CD LYS A 50 -11.594 12.648 -7.726 1.00 0.00 C ATOM 728 CE LYS A 50 -10.348 13.212 -8.410 1.00 0.00 C ATOM 729 NZ LYS A 50 -10.763 14.548 -8.924 1.00 0.00 N ATOM 0 H LYS A 50 -12.996 12.656 -3.028 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.201 13.238 -5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.656 12.447 -4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.065 11.317 -5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.554 14.133 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.878 13.834 -6.067 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.483 11.574 -7.574 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.467 12.791 -8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.518 13.299 -7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.014 12.563 -9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.269 14.745 -9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.790 14.553 -9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.520 15.279 -8.226 1.00 0.00 H new ATOM 743 N MET A 51 -14.930 10.594 -4.129 1.00 0.00 N ATOM 744 CA MET A 51 -15.668 9.300 -4.251 1.00 0.00 C ATOM 745 C MET A 51 -14.812 8.267 -4.993 1.00 0.00 C ATOM 746 O MET A 51 -15.314 7.288 -5.510 1.00 0.00 O ATOM 747 CB MET A 51 -16.929 9.630 -5.053 1.00 0.00 C ATOM 748 CG MET A 51 -18.123 8.885 -4.454 1.00 0.00 C ATOM 749 SD MET A 51 -19.651 9.769 -4.860 1.00 0.00 S ATOM 750 CE MET A 51 -19.396 9.854 -6.650 1.00 0.00 C ATOM 0 H MET A 51 -14.815 10.941 -3.177 1.00 0.00 H new ATOM 0 HA MET A 51 -15.908 8.872 -3.278 1.00 0.00 H new ATOM 0 HB2 MET A 51 -17.112 10.704 -5.038 1.00 0.00 H new ATOM 0 HB3 MET A 51 -16.795 9.344 -6.096 1.00 0.00 H new ATOM 0 HG2 MET A 51 -18.164 7.868 -4.844 1.00 0.00 H new ATOM 0 HG3 MET A 51 -18.012 8.807 -3.373 1.00 0.00 H new ATOM 0 HE1 MET A 51 -20.357 9.980 -7.149 1.00 0.00 H new ATOM 0 HE2 MET A 51 -18.751 10.700 -6.886 1.00 0.00 H new ATOM 0 HE3 MET A 51 -18.927 8.933 -6.995 1.00 0.00 H new ATOM 760 N GLU A 52 -13.521 8.477 -5.049 1.00 0.00 N ATOM 761 CA GLU A 52 -12.627 7.509 -5.754 1.00 0.00 C ATOM 762 C GLU A 52 -11.177 7.992 -5.684 1.00 0.00 C ATOM 763 O GLU A 52 -10.747 8.808 -6.474 1.00 0.00 O ATOM 764 CB GLU A 52 -13.111 7.490 -7.207 1.00 0.00 C ATOM 765 CG GLU A 52 -13.571 6.077 -7.573 1.00 0.00 C ATOM 766 CD GLU A 52 -12.349 5.198 -7.846 1.00 0.00 C ATOM 767 OE1 GLU A 52 -11.325 5.432 -7.226 1.00 0.00 O ATOM 768 OE2 GLU A 52 -12.458 4.306 -8.671 1.00 0.00 O ATOM 0 H GLU A 52 -13.046 9.280 -4.636 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.662 6.517 -5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.931 8.196 -7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.308 7.807 -7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.163 5.654 -6.761 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.214 6.109 -8.453 1.00 0.00 H new ATOM 775 N THR A 53 -10.420 7.499 -4.743 1.00 0.00 N ATOM 776 CA THR A 53 -9.001 7.938 -4.626 1.00 0.00 C ATOM 777 C THR A 53 -8.057 6.739 -4.753 1.00 0.00 C ATOM 778 O THR A 53 -7.825 6.016 -3.805 1.00 0.00 O ATOM 779 CB THR A 53 -8.889 8.559 -3.233 1.00 0.00 C ATOM 780 OG1 THR A 53 -9.983 9.440 -3.018 1.00 0.00 O ATOM 781 CG2 THR A 53 -7.575 9.334 -3.121 1.00 0.00 C ATOM 0 H THR A 53 -10.722 6.813 -4.051 1.00 0.00 H new ATOM 0 HA THR A 53 -8.726 8.642 -5.411 1.00 0.00 H new ATOM 0 HB THR A 53 -8.906 7.770 -2.481 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.913 9.837 -2.125 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.497 9.776 -2.128 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.737 8.656 -3.283 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.553 10.124 -3.872 1.00 0.00 H new ATOM 789 N GLU A 54 -7.507 6.527 -5.917 1.00 0.00 N ATOM 790 CA GLU A 54 -6.574 5.379 -6.101 1.00 0.00 C ATOM 791 C GLU A 54 -5.349 5.559 -5.201 1.00 0.00 C ATOM 792 O GLU A 54 -4.717 6.597 -5.202 1.00 0.00 O ATOM 793 CB GLU A 54 -6.168 5.426 -7.574 1.00 0.00 C ATOM 794 CG GLU A 54 -5.458 6.749 -7.867 1.00 0.00 C ATOM 795 CD GLU A 54 -5.990 7.335 -9.175 1.00 0.00 C ATOM 796 OE1 GLU A 54 -7.183 7.579 -9.250 1.00 0.00 O ATOM 797 OE2 GLU A 54 -5.196 7.532 -10.081 1.00 0.00 O ATOM 0 H GLU A 54 -7.663 7.098 -6.748 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.031 4.425 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.510 4.589 -7.808 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.049 5.326 -8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.621 7.451 -7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.382 6.588 -7.939 1.00 0.00 H new ATOM 804 N ILE A 55 -5.009 4.563 -4.432 1.00 0.00 N ATOM 805 CA ILE A 55 -3.826 4.689 -3.534 1.00 0.00 C ATOM 806 C ILE A 55 -2.623 3.956 -4.136 1.00 0.00 C ATOM 807 O ILE A 55 -2.326 2.832 -3.780 1.00 0.00 O ATOM 808 CB ILE A 55 -4.251 4.042 -2.215 1.00 0.00 C ATOM 809 CG1 ILE A 55 -5.551 4.688 -1.725 1.00 0.00 C ATOM 810 CG2 ILE A 55 -3.156 4.250 -1.167 1.00 0.00 C ATOM 811 CD1 ILE A 55 -5.334 6.188 -1.521 1.00 0.00 C ATOM 0 H ILE A 55 -5.497 3.669 -4.386 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.525 5.727 -3.394 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.409 2.975 -2.370 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.348 4.521 -2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.869 4.226 -0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.459 3.789 -0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.229 3.792 -1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.998 5.317 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.260 6.645 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.550 6.345 -0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.037 6.644 -2.465 1.00 0.00 H new ATOM 823 N ASN A 56 -1.936 4.590 -5.051 1.00 0.00 N ATOM 824 CA ASN A 56 -0.751 3.948 -5.689 1.00 0.00 C ATOM 825 C ASN A 56 0.421 3.891 -4.713 1.00 0.00 C ATOM 826 O ASN A 56 0.742 4.856 -4.048 1.00 0.00 O ATOM 827 CB ASN A 56 -0.411 4.838 -6.883 1.00 0.00 C ATOM 828 CG ASN A 56 -1.598 4.877 -7.847 1.00 0.00 C ATOM 829 OD1 ASN A 56 -2.735 4.946 -7.426 1.00 0.00 O ATOM 830 ND2 ASN A 56 -1.381 4.832 -9.134 1.00 0.00 N ATOM 0 H ASN A 56 -2.147 5.530 -5.385 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.957 2.921 -5.990 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.173 5.846 -6.542 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.473 4.457 -7.394 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.166 4.855 -9.785 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.426 4.774 -9.489 1.00 0.00 H new ATOM 837 N ALA A 57 1.063 2.761 -4.631 1.00 0.00 N ATOM 838 CA ALA A 57 2.225 2.622 -3.704 1.00 0.00 C ATOM 839 C ALA A 57 3.214 3.779 -3.906 1.00 0.00 C ATOM 840 O ALA A 57 3.411 4.231 -5.016 1.00 0.00 O ATOM 841 CB ALA A 57 2.880 1.293 -4.086 1.00 0.00 C ATOM 0 H ALA A 57 0.834 1.924 -5.167 1.00 0.00 H new ATOM 0 HA ALA A 57 1.918 2.645 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.746 1.117 -3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.162 0.483 -3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.199 1.331 -5.128 1.00 0.00 H new ATOM 847 N PRO A 58 3.806 4.225 -2.824 1.00 0.00 N ATOM 848 CA PRO A 58 4.781 5.340 -2.901 1.00 0.00 C ATOM 849 C PRO A 58 6.105 4.856 -3.500 1.00 0.00 C ATOM 850 O PRO A 58 6.797 5.591 -4.176 1.00 0.00 O ATOM 851 CB PRO A 58 4.966 5.758 -1.446 1.00 0.00 C ATOM 852 CG PRO A 58 4.620 4.544 -0.642 1.00 0.00 C ATOM 853 CD PRO A 58 3.627 3.743 -1.447 1.00 0.00 C ATOM 0 HA PRO A 58 4.442 6.159 -3.535 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.990 6.078 -1.255 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.318 6.597 -1.192 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.512 3.953 -0.434 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.195 4.828 0.320 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.823 2.673 -1.371 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.607 3.906 -1.098 1.00 0.00 H new ATOM 861 N THR A 59 6.464 3.625 -3.257 1.00 0.00 N ATOM 862 CA THR A 59 7.745 3.098 -3.812 1.00 0.00 C ATOM 863 C THR A 59 7.596 1.619 -4.180 1.00 0.00 C ATOM 864 O THR A 59 6.687 0.947 -3.737 1.00 0.00 O ATOM 865 CB THR A 59 8.764 3.270 -2.685 1.00 0.00 C ATOM 866 OG1 THR A 59 10.041 2.836 -3.134 1.00 0.00 O ATOM 867 CG2 THR A 59 8.337 2.439 -1.474 1.00 0.00 C ATOM 0 H THR A 59 5.927 2.961 -2.699 1.00 0.00 H new ATOM 0 HA THR A 59 8.047 3.621 -4.720 1.00 0.00 H new ATOM 0 HB THR A 59 8.816 4.321 -2.400 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.696 2.947 -2.414 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.065 2.563 -0.672 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.358 2.773 -1.130 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.283 1.387 -1.755 1.00 0.00 H new ATOM 875 N ASP A 60 8.484 1.109 -4.989 1.00 0.00 N ATOM 876 CA ASP A 60 8.397 -0.327 -5.385 1.00 0.00 C ATOM 877 C ASP A 60 8.905 -1.220 -4.249 1.00 0.00 C ATOM 878 O ASP A 60 9.944 -0.970 -3.668 1.00 0.00 O ATOM 879 CB ASP A 60 9.299 -0.455 -6.613 1.00 0.00 C ATOM 880 CG ASP A 60 10.729 -0.060 -6.238 1.00 0.00 C ATOM 881 OD1 ASP A 60 10.977 1.126 -6.094 1.00 0.00 O ATOM 882 OD2 ASP A 60 11.551 -0.951 -6.101 1.00 0.00 O ATOM 0 H ASP A 60 9.266 1.624 -5.393 1.00 0.00 H new ATOM 0 HA ASP A 60 7.374 -0.636 -5.598 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.279 -1.479 -6.987 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.932 0.185 -7.416 1.00 0.00 H new ATOM 887 N GLY A 61 8.183 -2.258 -3.927 1.00 0.00 N ATOM 888 CA GLY A 61 8.628 -3.163 -2.829 1.00 0.00 C ATOM 889 C GLY A 61 7.476 -4.083 -2.422 1.00 0.00 C ATOM 890 O GLY A 61 6.362 -3.943 -2.889 1.00 0.00 O ATOM 0 H GLY A 61 7.305 -2.519 -4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.482 -3.756 -3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.958 -2.576 -1.972 1.00 0.00 H new ATOM 894 N LYS A 62 7.734 -5.024 -1.555 1.00 0.00 N ATOM 895 CA LYS A 62 6.652 -5.955 -1.118 1.00 0.00 C ATOM 896 C LYS A 62 5.948 -5.400 0.124 1.00 0.00 C ATOM 897 O LYS A 62 6.527 -4.669 0.902 1.00 0.00 O ATOM 898 CB LYS A 62 7.370 -7.264 -0.788 1.00 0.00 C ATOM 899 CG LYS A 62 6.349 -8.403 -0.724 1.00 0.00 C ATOM 900 CD LYS A 62 6.957 -9.595 0.019 1.00 0.00 C ATOM 901 CE LYS A 62 8.224 -10.057 -0.705 1.00 0.00 C ATOM 902 NZ LYS A 62 8.267 -11.532 -0.502 1.00 0.00 N ATOM 0 H LYS A 62 8.646 -5.189 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 62 5.887 -6.090 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.124 -7.479 -1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.892 -7.175 0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.445 -8.067 -0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.056 -8.700 -1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.194 -9.315 1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.236 -10.411 0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.187 -9.805 -1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.111 -9.576 -0.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.109 -11.922 -0.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.309 -11.741 0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.413 -11.964 -0.910 1.00 0.00 H new ATOM 916 N VAL A 63 4.703 -5.744 0.317 1.00 0.00 N ATOM 917 CA VAL A 63 3.967 -5.234 1.510 1.00 0.00 C ATOM 918 C VAL A 63 4.410 -5.995 2.766 1.00 0.00 C ATOM 919 O VAL A 63 4.412 -7.210 2.802 1.00 0.00 O ATOM 920 CB VAL A 63 2.483 -5.489 1.200 1.00 0.00 C ATOM 921 CG1 VAL A 63 1.639 -5.373 2.477 1.00 0.00 C ATOM 922 CG2 VAL A 63 1.999 -4.447 0.194 1.00 0.00 C ATOM 0 H VAL A 63 4.165 -6.354 -0.298 1.00 0.00 H new ATOM 0 HA VAL A 63 4.160 -4.178 1.702 1.00 0.00 H new ATOM 0 HB VAL A 63 2.376 -6.494 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.591 -5.557 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.979 -6.108 3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.746 -4.372 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.947 -4.620 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.120 -3.450 0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.584 -4.526 -0.722 1.00 0.00 H new ATOM 932 N GLU A 64 4.777 -5.284 3.794 1.00 0.00 N ATOM 933 CA GLU A 64 5.209 -5.955 5.052 1.00 0.00 C ATOM 934 C GLU A 64 4.155 -5.757 6.151 1.00 0.00 C ATOM 935 O GLU A 64 4.301 -6.247 7.252 1.00 0.00 O ATOM 936 CB GLU A 64 6.520 -5.267 5.435 1.00 0.00 C ATOM 937 CG GLU A 64 7.579 -5.559 4.369 1.00 0.00 C ATOM 938 CD GLU A 64 8.636 -6.503 4.943 1.00 0.00 C ATOM 939 OE1 GLU A 64 8.354 -7.685 5.043 1.00 0.00 O ATOM 940 OE2 GLU A 64 9.710 -6.028 5.273 1.00 0.00 O ATOM 0 H GLU A 64 4.797 -4.264 3.818 1.00 0.00 H new ATOM 0 HA GLU A 64 5.333 -7.030 4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.366 -4.192 5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.860 -5.623 6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.113 -6.008 3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.046 -4.630 4.041 1.00 0.00 H new ATOM 947 N LYS A 65 3.094 -5.044 5.862 1.00 0.00 N ATOM 948 CA LYS A 65 2.041 -4.824 6.898 1.00 0.00 C ATOM 949 C LYS A 65 0.885 -4.011 6.309 1.00 0.00 C ATOM 950 O LYS A 65 1.090 -3.073 5.564 1.00 0.00 O ATOM 951 CB LYS A 65 2.729 -4.036 8.015 1.00 0.00 C ATOM 952 CG LYS A 65 2.336 -4.621 9.372 1.00 0.00 C ATOM 953 CD LYS A 65 3.569 -4.688 10.276 1.00 0.00 C ATOM 954 CE LYS A 65 3.324 -5.696 11.401 1.00 0.00 C ATOM 955 NZ LYS A 65 4.119 -6.898 11.020 1.00 0.00 N ATOM 0 H LYS A 65 2.913 -4.607 4.958 1.00 0.00 H new ATOM 0 HA LYS A 65 1.624 -5.763 7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.811 -4.077 7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.442 -2.986 7.963 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.565 -4.005 9.836 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.913 -5.617 9.242 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.443 -4.981 9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.780 -3.704 10.695 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.645 -5.299 12.364 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.265 -5.936 11.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.002 -7.635 11.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.786 -7.258 10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.124 -6.641 10.947 1.00 0.00 H new ATOM 969 N VAL A 66 -0.327 -4.359 6.641 1.00 0.00 N ATOM 970 CA VAL A 66 -1.494 -3.602 6.104 1.00 0.00 C ATOM 971 C VAL A 66 -2.171 -2.819 7.233 1.00 0.00 C ATOM 972 O VAL A 66 -3.064 -3.312 7.893 1.00 0.00 O ATOM 973 CB VAL A 66 -2.437 -4.671 5.549 1.00 0.00 C ATOM 974 CG1 VAL A 66 -3.635 -3.996 4.877 1.00 0.00 C ATOM 975 CG2 VAL A 66 -1.693 -5.526 4.521 1.00 0.00 C ATOM 0 H VAL A 66 -0.561 -5.135 7.261 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.207 -2.879 5.340 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.786 -5.304 6.365 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.307 -4.758 4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.167 -3.387 5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.286 -3.362 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.366 -6.287 4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.343 -4.893 3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.839 -6.008 4.998 1.00 0.00 H new ATOM 985 N LEU A 67 -1.748 -1.606 7.465 1.00 0.00 N ATOM 986 CA LEU A 67 -2.365 -0.797 8.558 1.00 0.00 C ATOM 987 C LEU A 67 -3.888 -0.766 8.408 1.00 0.00 C ATOM 988 O LEU A 67 -4.618 -1.153 9.298 1.00 0.00 O ATOM 989 CB LEU A 67 -1.792 0.614 8.390 1.00 0.00 C ATOM 990 CG LEU A 67 -0.999 1.023 9.640 1.00 0.00 C ATOM 991 CD1 LEU A 67 -1.837 0.789 10.902 1.00 0.00 C ATOM 992 CD2 LEU A 67 0.288 0.203 9.714 1.00 0.00 C ATOM 0 H LEU A 67 -1.003 -1.140 6.947 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.148 -1.215 9.541 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.145 0.648 7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.601 1.324 8.217 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.754 2.083 9.576 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.262 1.083 11.780 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.749 1.384 10.849 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.097 -0.267 10.976 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.853 0.491 10.601 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.041 -0.857 9.770 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.890 0.389 8.824 1.00 0.00 H new ATOM 1004 N VAL A 68 -4.370 -0.296 7.291 1.00 0.00 N ATOM 1005 CA VAL A 68 -5.844 -0.226 7.087 1.00 0.00 C ATOM 1006 C VAL A 68 -6.343 -1.453 6.321 1.00 0.00 C ATOM 1007 O VAL A 68 -5.739 -1.886 5.360 1.00 0.00 O ATOM 1008 CB VAL A 68 -6.064 1.042 6.261 1.00 0.00 C ATOM 1009 CG1 VAL A 68 -7.559 1.227 5.995 1.00 0.00 C ATOM 1010 CG2 VAL A 68 -5.529 2.251 7.030 1.00 0.00 C ATOM 0 H VAL A 68 -3.807 0.043 6.511 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.387 -0.205 8.032 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.536 0.952 5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.715 2.131 5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.940 0.366 5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.089 1.316 6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.686 3.155 6.441 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.056 2.340 7.980 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.463 2.120 7.218 1.00 0.00 H new ATOM 1020 N LYS A 69 -7.448 -2.009 6.736 1.00 0.00 N ATOM 1021 CA LYS A 69 -7.997 -3.202 6.030 1.00 0.00 C ATOM 1022 C LYS A 69 -9.056 -2.762 5.018 1.00 0.00 C ATOM 1023 O LYS A 69 -9.142 -1.603 4.661 1.00 0.00 O ATOM 1024 CB LYS A 69 -8.626 -4.060 7.130 1.00 0.00 C ATOM 1025 CG LYS A 69 -8.189 -5.516 6.957 1.00 0.00 C ATOM 1026 CD LYS A 69 -7.547 -6.012 8.252 1.00 0.00 C ATOM 1027 CE LYS A 69 -6.136 -5.433 8.377 1.00 0.00 C ATOM 1028 NZ LYS A 69 -5.456 -6.292 9.387 1.00 0.00 N ATOM 0 H LYS A 69 -7.995 -1.688 7.535 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.233 -3.750 5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.323 -3.693 8.110 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.713 -3.988 7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.048 -6.137 6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.481 -5.599 6.132 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.152 -5.712 9.108 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.506 -7.101 8.256 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.613 -5.458 7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.163 -4.392 8.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.481 -5.957 9.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.972 -6.243 10.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.439 -7.276 9.051 1.00 0.00 H new ATOM 1042 N GLU A 70 -9.866 -3.673 4.554 1.00 0.00 N ATOM 1043 CA GLU A 70 -10.917 -3.297 3.568 1.00 0.00 C ATOM 1044 C GLU A 70 -12.217 -2.939 4.294 1.00 0.00 C ATOM 1045 O GLU A 70 -12.671 -3.659 5.160 1.00 0.00 O ATOM 1046 CB GLU A 70 -11.110 -4.539 2.699 1.00 0.00 C ATOM 1047 CG GLU A 70 -11.681 -4.127 1.341 1.00 0.00 C ATOM 1048 CD GLU A 70 -12.425 -5.310 0.718 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -11.989 -6.432 0.921 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -13.417 -5.074 0.048 1.00 0.00 O ATOM 0 H GLU A 70 -9.846 -4.659 4.814 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.635 -2.427 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.158 -5.053 2.565 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.784 -5.240 3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.358 -3.281 1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.877 -3.801 0.681 1.00 0.00 H new ATOM 1057 N ARG A 71 -12.814 -1.824 3.944 1.00 0.00 N ATOM 1058 CA ARG A 71 -14.096 -1.385 4.600 1.00 0.00 C ATOM 1059 C ARG A 71 -13.850 -0.918 6.042 1.00 0.00 C ATOM 1060 O ARG A 71 -14.773 -0.562 6.747 1.00 0.00 O ATOM 1061 CB ARG A 71 -15.033 -2.603 4.577 1.00 0.00 C ATOM 1062 CG ARG A 71 -16.487 -2.135 4.686 1.00 0.00 C ATOM 1063 CD ARG A 71 -17.250 -2.526 3.417 1.00 0.00 C ATOM 1064 NE ARG A 71 -17.805 -1.247 2.893 1.00 0.00 N ATOM 1065 CZ ARG A 71 -18.734 -1.265 1.976 1.00 0.00 C ATOM 1066 NH1 ARG A 71 -18.566 -1.970 0.890 1.00 0.00 N ATOM 1067 NH2 ARG A 71 -19.831 -0.578 2.144 1.00 0.00 N ATOM 0 H ARG A 71 -12.467 -1.190 3.224 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.532 -0.538 4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.890 -3.167 3.655 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.794 -3.274 5.402 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.960 -2.584 5.559 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -16.522 -1.054 4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.590 -2.998 2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -18.044 -3.240 3.638 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.459 -0.357 3.251 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.709 -2.507 0.758 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -19.292 -1.984 0.174 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.963 -0.027 2.992 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.557 -0.592 1.427 1.00 0.00 H new ATOM 1081 N ASP A 72 -12.620 -0.898 6.486 1.00 0.00 N ATOM 1082 CA ASP A 72 -12.339 -0.433 7.875 1.00 0.00 C ATOM 1083 C ASP A 72 -11.885 1.032 7.848 1.00 0.00 C ATOM 1084 O ASP A 72 -10.708 1.327 7.830 1.00 0.00 O ATOM 1085 CB ASP A 72 -11.211 -1.335 8.376 1.00 0.00 C ATOM 1086 CG ASP A 72 -11.807 -2.537 9.109 1.00 0.00 C ATOM 1087 OD1 ASP A 72 -12.943 -2.875 8.823 1.00 0.00 O ATOM 1088 OD2 ASP A 72 -11.117 -3.099 9.943 1.00 0.00 O ATOM 0 H ASP A 72 -11.801 -1.183 5.948 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.216 -0.488 8.520 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.601 -1.672 7.538 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.554 -0.777 9.044 1.00 0.00 H new ATOM 1093 N ALA A 73 -12.814 1.951 7.835 1.00 0.00 N ATOM 1094 CA ALA A 73 -12.439 3.396 7.797 1.00 0.00 C ATOM 1095 C ALA A 73 -11.426 3.724 8.898 1.00 0.00 C ATOM 1096 O ALA A 73 -11.344 3.047 9.905 1.00 0.00 O ATOM 1097 CB ALA A 73 -13.747 4.152 8.032 1.00 0.00 C ATOM 0 H ALA A 73 -13.817 1.764 7.849 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.970 3.669 6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.555 5.225 8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.459 3.901 7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.161 3.870 9.000 1.00 0.00 H new ATOM 1103 N VAL A 74 -10.657 4.764 8.713 1.00 0.00 N ATOM 1104 CA VAL A 74 -9.648 5.148 9.743 1.00 0.00 C ATOM 1105 C VAL A 74 -9.560 6.675 9.850 1.00 0.00 C ATOM 1106 O VAL A 74 -9.934 7.391 8.941 1.00 0.00 O ATOM 1107 CB VAL A 74 -8.326 4.568 9.239 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -8.463 3.054 9.067 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -7.967 5.203 7.894 1.00 0.00 C ATOM 0 H VAL A 74 -10.684 5.366 7.890 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.904 4.773 10.734 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.539 4.782 9.963 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.520 2.642 8.708 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.716 2.600 10.025 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.251 2.840 8.345 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.025 4.789 7.536 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.754 4.992 7.170 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.866 6.281 8.016 1.00 0.00 H new ATOM 1119 N GLN A 75 -9.071 7.179 10.950 1.00 0.00 N ATOM 1120 CA GLN A 75 -8.964 8.659 11.107 1.00 0.00 C ATOM 1121 C GLN A 75 -7.526 9.121 10.848 1.00 0.00 C ATOM 1122 O GLN A 75 -6.582 8.384 11.053 1.00 0.00 O ATOM 1123 CB GLN A 75 -9.371 8.940 12.558 1.00 0.00 C ATOM 1124 CG GLN A 75 -8.352 8.311 13.515 1.00 0.00 C ATOM 1125 CD GLN A 75 -7.494 9.410 14.148 1.00 0.00 C ATOM 1126 OE1 GLN A 75 -7.865 10.567 14.144 1.00 0.00 O ATOM 1127 NE2 GLN A 75 -6.354 9.093 14.698 1.00 0.00 N ATOM 0 H GLN A 75 -8.741 6.632 11.746 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.597 9.193 10.399 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.427 10.015 12.728 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.364 8.534 12.752 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.868 7.746 14.291 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.719 7.607 12.976 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -6.042 8.122 14.702 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -5.775 9.816 15.124 1.00 0.00 H new ATOM 1136 N GLY A 76 -7.354 10.336 10.403 1.00 0.00 N ATOM 1137 CA GLY A 76 -5.978 10.844 10.134 1.00 0.00 C ATOM 1138 C GLY A 76 -5.123 10.691 11.393 1.00 0.00 C ATOM 1139 O GLY A 76 -5.570 10.946 12.493 1.00 0.00 O ATOM 0 H GLY A 76 -8.106 10.999 10.214 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.530 10.292 9.308 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.018 11.891 9.833 1.00 0.00 H new ATOM 1143 N GLY A 77 -3.895 10.278 11.241 1.00 0.00 N ATOM 1144 CA GLY A 77 -3.014 10.108 12.431 1.00 0.00 C ATOM 1145 C GLY A 77 -2.534 8.656 12.529 1.00 0.00 C ATOM 1146 O GLY A 77 -1.701 8.327 13.350 1.00 0.00 O ATOM 0 H GLY A 77 -3.464 10.051 10.345 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.157 10.778 12.357 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.556 10.382 13.336 1.00 0.00 H new ATOM 1150 N GLN A 78 -3.048 7.780 11.705 1.00 0.00 N ATOM 1151 CA GLN A 78 -2.610 6.356 11.770 1.00 0.00 C ATOM 1152 C GLN A 78 -1.927 5.948 10.463 1.00 0.00 C ATOM 1153 O GLN A 78 -2.233 6.460 9.403 1.00 0.00 O ATOM 1154 CB GLN A 78 -3.896 5.558 11.976 1.00 0.00 C ATOM 1155 CG GLN A 78 -4.156 5.388 13.474 1.00 0.00 C ATOM 1156 CD GLN A 78 -4.721 3.992 13.740 1.00 0.00 C ATOM 1157 OE1 GLN A 78 -4.220 3.013 13.223 1.00 0.00 O ATOM 1158 NE2 GLN A 78 -5.750 3.857 14.532 1.00 0.00 N ATOM 0 H GLN A 78 -3.749 7.989 10.994 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.889 6.182 12.568 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.735 6.072 11.506 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.812 4.582 11.498 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.231 5.530 14.033 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.857 6.147 13.820 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.171 4.679 14.966 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -6.133 2.930 14.717 1.00 0.00 H new ATOM 1167 N GLY A 79 -1.003 5.028 10.530 1.00 0.00 N ATOM 1168 CA GLY A 79 -0.301 4.586 9.292 1.00 0.00 C ATOM 1169 C GLY A 79 -1.324 4.037 8.297 1.00 0.00 C ATOM 1170 O GLY A 79 -2.419 3.659 8.662 1.00 0.00 O ATOM 0 H GLY A 79 -0.704 4.564 11.388 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.241 5.422 8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.436 3.820 9.532 1.00 0.00 H new ATOM 1174 N LEU A 80 -0.971 3.982 7.044 1.00 0.00 N ATOM 1175 CA LEU A 80 -1.921 3.449 6.026 1.00 0.00 C ATOM 1176 C LEU A 80 -1.441 2.082 5.532 1.00 0.00 C ATOM 1177 O LEU A 80 -2.188 1.125 5.495 1.00 0.00 O ATOM 1178 CB LEU A 80 -1.899 4.468 4.886 1.00 0.00 C ATOM 1179 CG LEU A 80 -2.554 5.772 5.346 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -2.181 6.896 4.377 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -4.075 5.602 5.366 1.00 0.00 C ATOM 0 H LEU A 80 -0.067 4.282 6.680 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.925 3.313 6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.872 4.656 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.428 4.070 4.020 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.204 6.021 6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.646 7.826 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.098 7.018 4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.533 6.645 3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.541 6.531 5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.427 5.353 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.342 4.800 6.054 1.00 0.00 H new ATOM 1193 N ILE A 81 -0.195 1.986 5.156 1.00 0.00 N ATOM 1194 CA ILE A 81 0.345 0.685 4.665 1.00 0.00 C ATOM 1195 C ILE A 81 1.859 0.628 4.888 1.00 0.00 C ATOM 1196 O ILE A 81 2.534 1.638 4.887 1.00 0.00 O ATOM 1197 CB ILE A 81 0.024 0.657 3.169 1.00 0.00 C ATOM 1198 CG1 ILE A 81 0.581 1.918 2.502 1.00 0.00 C ATOM 1199 CG2 ILE A 81 -1.492 0.603 2.971 1.00 0.00 C ATOM 1200 CD1 ILE A 81 0.992 1.597 1.064 1.00 0.00 C ATOM 0 H ILE A 81 0.475 2.755 5.168 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.090 -0.166 5.189 1.00 0.00 H new ATOM 0 HB ILE A 81 0.480 -0.224 2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.170 2.708 2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.439 2.290 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.719 0.583 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.889 -0.296 3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.950 1.483 3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.388 2.495 0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.758 0.821 1.069 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.123 1.246 0.507 1.00 0.00 H new ATOM 1212 N LYS A 82 2.398 -0.546 5.083 1.00 0.00 N ATOM 1213 CA LYS A 82 3.868 -0.663 5.309 1.00 0.00 C ATOM 1214 C LYS A 82 4.548 -1.287 4.085 1.00 0.00 C ATOM 1215 O LYS A 82 4.041 -2.213 3.486 1.00 0.00 O ATOM 1216 CB LYS A 82 4.009 -1.579 6.525 1.00 0.00 C ATOM 1217 CG LYS A 82 5.472 -1.614 6.974 1.00 0.00 C ATOM 1218 CD LYS A 82 5.542 -1.940 8.468 1.00 0.00 C ATOM 1219 CE LYS A 82 6.854 -1.405 9.047 1.00 0.00 C ATOM 1220 NZ LYS A 82 6.726 -1.582 10.520 1.00 0.00 N ATOM 0 H LYS A 82 1.885 -1.428 5.096 1.00 0.00 H new ATOM 0 HA LYS A 82 4.338 0.307 5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.377 -1.221 7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.670 -2.585 6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.021 -2.362 6.402 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.946 -0.652 6.779 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.694 -1.494 8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.478 -3.018 8.619 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.711 -1.954 8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.002 -0.357 8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.608 -1.285 10.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.938 -1.002 10.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.543 -2.583 10.735 1.00 0.00 H new ATOM 1234 N ILE A 83 5.695 -0.785 3.714 1.00 0.00 N ATOM 1235 CA ILE A 83 6.411 -1.350 2.533 1.00 0.00 C ATOM 1236 C ILE A 83 7.926 -1.214 2.719 1.00 0.00 C ATOM 1237 O ILE A 83 8.638 -0.821 1.816 1.00 0.00 O ATOM 1238 CB ILE A 83 5.939 -0.515 1.342 1.00 0.00 C ATOM 1239 CG1 ILE A 83 6.613 -1.023 0.065 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.315 0.952 1.564 1.00 0.00 C ATOM 1241 CD1 ILE A 83 5.657 -0.857 -1.118 1.00 0.00 C ATOM 0 H ILE A 83 6.167 -0.009 4.177 1.00 0.00 H new ATOM 0 HA ILE A 83 6.202 -2.410 2.393 1.00 0.00 H new ATOM 0 HB ILE A 83 4.857 -0.603 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 83 7.534 -0.469 -0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.889 -2.071 0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.978 1.546 0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.838 1.316 2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 83 7.397 1.039 1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.137 -1.219 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.748 -1.430 -0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.404 0.197 -1.236 1.00 0.00 H new ATOM 1253 N GLY A 84 8.422 -1.533 3.883 1.00 0.00 N ATOM 1254 CA GLY A 84 9.889 -1.421 4.126 1.00 0.00 C ATOM 1255 C GLY A 84 10.616 -2.565 3.416 1.00 0.00 C ATOM 1256 O GLY A 84 10.561 -3.675 3.917 1.00 0.00 O ATOM 1257 OXT GLY A 84 11.217 -2.309 2.386 1.00 0.00 O ATOM 0 H GLY A 84 7.875 -1.866 4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.256 -0.462 3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.094 -1.455 5.196 1.00 0.00 H new TER 1261 GLY A 84