USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 666 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 48 GLN : amide:sc= -3.6 K(o=-4.4,f=0.89) USER MOD Set 1.2: A 66 THR OG1 : rot 112:sc= -0.83 USER MOD Set 2.1: A 56 LYS NZ :NH3+ 146:sc= 0.438 (180deg=0) USER MOD Set 2.2: A 62 TYR OH : rot 180:sc= 0.187 USER MOD Set 2.3: A 75 CYS SG : rot -16:sc= 0.481 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 134:sc= -0.173 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -63:sc= -1.35! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0671 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 113:sc= -0.816 USER MOD Single : A 34 ASN : amide:sc= -1.5 K(o=-1.5,f=-11!) USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00804) USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= -0.0699 (180deg=-0.475) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.7) USER MOD Single : A 88 MET CE :methyl -154:sc= -0.389 (180deg=-1.34!) USER MOD Single : A 89 MET CE :methyl -124:sc= -0.949 (180deg=-2.77!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 92 SER OG : rot 180:sc=-0.00347 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.213 11.256 -11.099 1.00 0.00 N ATOM 2 CA GLY A 1 -20.453 10.178 -10.494 1.00 0.00 C ATOM 3 C GLY A 1 -20.602 8.870 -11.245 1.00 0.00 C ATOM 4 O GLY A 1 -21.708 8.347 -11.382 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.078 12.128 -10.548 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.884 11.408 -12.074 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.222 11.006 -11.109 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.399 10.455 -10.460 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.780 10.041 -9.463 1.00 0.00 H new ATOM 8 N SER A 2 -19.486 8.340 -11.736 1.00 0.00 N ATOM 9 CA SER A 2 -19.498 7.088 -12.483 1.00 0.00 C ATOM 10 C SER A 2 -19.615 5.894 -11.540 1.00 0.00 C ATOM 11 O SER A 2 -19.430 6.025 -10.330 1.00 0.00 O ATOM 12 CB SER A 2 -18.230 6.962 -13.329 1.00 0.00 C ATOM 13 OG SER A 2 -18.290 7.805 -14.466 1.00 0.00 O ATOM 0 H SER A 2 -18.562 8.759 -11.630 1.00 0.00 H new ATOM 0 HA SER A 2 -20.366 7.095 -13.142 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.360 7.221 -12.726 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.102 5.927 -13.646 1.00 0.00 H new ATOM 0 HG SER A 2 -17.467 7.707 -14.989 1.00 0.00 H new ATOM 19 N SER A 3 -19.923 4.730 -12.103 1.00 0.00 N ATOM 20 CA SER A 3 -20.068 3.513 -11.314 1.00 0.00 C ATOM 21 C SER A 3 -18.704 2.916 -10.979 1.00 0.00 C ATOM 22 O SER A 3 -18.069 2.282 -11.820 1.00 0.00 O ATOM 23 CB SER A 3 -20.914 2.488 -12.070 1.00 0.00 C ATOM 24 OG SER A 3 -22.239 2.957 -12.256 1.00 0.00 O ATOM 0 H SER A 3 -20.077 4.604 -13.103 1.00 0.00 H new ATOM 0 HA SER A 3 -20.570 3.772 -10.382 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.459 2.280 -13.039 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.932 1.548 -11.518 1.00 0.00 H new ATOM 0 HG SER A 3 -22.759 2.284 -12.743 1.00 0.00 H new ATOM 30 N GLY A 4 -18.261 3.125 -9.743 1.00 0.00 N ATOM 31 CA GLY A 4 -16.975 2.602 -9.318 1.00 0.00 C ATOM 32 C GLY A 4 -15.815 3.259 -10.040 1.00 0.00 C ATOM 33 O GLY A 4 -15.522 4.434 -9.819 1.00 0.00 O ATOM 0 H GLY A 4 -18.769 3.647 -9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.862 2.752 -8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.947 1.527 -9.495 1.00 0.00 H new ATOM 37 N SER A 5 -15.151 2.498 -10.904 1.00 0.00 N ATOM 38 CA SER A 5 -14.013 3.011 -11.657 1.00 0.00 C ATOM 39 C SER A 5 -13.933 2.358 -13.034 1.00 0.00 C ATOM 40 O SER A 5 -14.336 1.209 -13.212 1.00 0.00 O ATOM 41 CB SER A 5 -12.713 2.766 -10.887 1.00 0.00 C ATOM 42 OG SER A 5 -12.316 1.409 -10.978 1.00 0.00 O ATOM 0 H SER A 5 -15.382 1.524 -11.100 1.00 0.00 H new ATOM 0 HA SER A 5 -14.151 4.084 -11.791 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.925 3.406 -11.284 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.849 3.039 -9.841 1.00 0.00 H new ATOM 0 HG SER A 5 -11.358 1.361 -11.181 1.00 0.00 H new ATOM 48 N SER A 6 -13.409 3.101 -14.004 1.00 0.00 N ATOM 49 CA SER A 6 -13.279 2.597 -15.366 1.00 0.00 C ATOM 50 C SER A 6 -11.818 2.317 -15.705 1.00 0.00 C ATOM 51 O SER A 6 -11.060 3.229 -16.033 1.00 0.00 O ATOM 52 CB SER A 6 -13.862 3.601 -16.362 1.00 0.00 C ATOM 53 OG SER A 6 -15.274 3.505 -16.416 1.00 0.00 O ATOM 0 H SER A 6 -13.068 4.053 -13.872 1.00 0.00 H new ATOM 0 HA SER A 6 -13.835 1.662 -15.435 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.574 4.612 -16.074 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.444 3.420 -17.352 1.00 0.00 H new ATOM 0 HG SER A 6 -15.622 4.158 -17.058 1.00 0.00 H new ATOM 59 N GLY A 7 -11.430 1.048 -15.622 1.00 0.00 N ATOM 60 CA GLY A 7 -10.061 0.670 -15.922 1.00 0.00 C ATOM 61 C GLY A 7 -9.422 -0.129 -14.804 1.00 0.00 C ATOM 62 O GLY A 7 -9.002 -1.269 -15.005 1.00 0.00 O ATOM 0 H GLY A 7 -12.039 0.275 -15.353 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.042 0.083 -16.840 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.471 1.568 -16.106 1.00 0.00 H new ATOM 66 N THR A 8 -9.346 0.469 -13.619 1.00 0.00 N ATOM 67 CA THR A 8 -8.751 -0.192 -12.465 1.00 0.00 C ATOM 68 C THR A 8 -9.784 -1.026 -11.716 1.00 0.00 C ATOM 69 O THR A 8 -10.817 -0.512 -11.287 1.00 0.00 O ATOM 70 CB THR A 8 -8.128 0.827 -11.493 1.00 0.00 C ATOM 71 OG1 THR A 8 -7.255 1.712 -12.204 1.00 0.00 O ATOM 72 CG2 THR A 8 -7.353 0.120 -10.391 1.00 0.00 C ATOM 0 H THR A 8 -9.690 1.411 -13.434 1.00 0.00 H new ATOM 0 HA THR A 8 -7.967 -0.846 -12.845 1.00 0.00 H new ATOM 0 HB THR A 8 -8.935 1.401 -11.037 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.864 2.358 -11.579 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.922 0.860 -9.717 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.026 -0.531 -9.833 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.555 -0.477 -10.833 1.00 0.00 H new ATOM 80 N ASP A 9 -9.499 -2.314 -11.562 1.00 0.00 N ATOM 81 CA ASP A 9 -10.403 -3.219 -10.862 1.00 0.00 C ATOM 82 C ASP A 9 -9.699 -3.890 -9.687 1.00 0.00 C ATOM 83 O ASP A 9 -8.483 -4.080 -9.686 1.00 0.00 O ATOM 84 CB ASP A 9 -10.941 -4.280 -11.823 1.00 0.00 C ATOM 85 CG ASP A 9 -9.876 -5.274 -12.243 1.00 0.00 C ATOM 86 OD1 ASP A 9 -8.776 -4.833 -12.635 1.00 0.00 O ATOM 87 OD2 ASP A 9 -10.143 -6.493 -12.181 1.00 0.00 O ATOM 0 H ASP A 9 -8.649 -2.755 -11.913 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.237 -2.633 -10.476 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.764 -4.813 -11.347 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.347 -3.791 -12.709 1.00 0.00 H new ATOM 92 N PRO A 10 -10.480 -4.256 -8.660 1.00 0.00 N ATOM 93 CA PRO A 10 -9.953 -4.911 -7.458 1.00 0.00 C ATOM 94 C PRO A 10 -9.480 -6.334 -7.734 1.00 0.00 C ATOM 95 O PRO A 10 -9.404 -6.761 -8.885 1.00 0.00 O ATOM 96 CB PRO A 10 -11.151 -4.921 -6.505 1.00 0.00 C ATOM 97 CG PRO A 10 -12.344 -4.877 -7.396 1.00 0.00 C ATOM 98 CD PRO A 10 -11.938 -4.061 -8.592 1.00 0.00 C ATOM 0 HA PRO A 10 -9.080 -4.393 -7.061 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.154 -5.816 -5.883 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.128 -4.064 -5.831 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.646 -5.881 -7.693 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.195 -4.426 -6.886 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.432 -4.406 -9.500 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.197 -3.010 -8.468 1.00 0.00 H new ATOM 106 N GLY A 11 -9.162 -7.064 -6.669 1.00 0.00 N ATOM 107 CA GLY A 11 -8.700 -8.431 -6.818 1.00 0.00 C ATOM 108 C GLY A 11 -9.842 -9.413 -6.993 1.00 0.00 C ATOM 109 O GLY A 11 -11.007 -9.057 -6.819 1.00 0.00 O ATOM 0 H GLY A 11 -9.216 -6.733 -5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.035 -8.495 -7.679 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.115 -8.711 -5.942 1.00 0.00 H new ATOM 113 N ALA A 12 -9.507 -10.651 -7.341 1.00 0.00 N ATOM 114 CA ALA A 12 -10.513 -11.687 -7.540 1.00 0.00 C ATOM 115 C ALA A 12 -10.828 -12.405 -6.232 1.00 0.00 C ATOM 116 O ALA A 12 -10.166 -13.378 -5.873 1.00 0.00 O ATOM 117 CB ALA A 12 -10.045 -12.682 -8.591 1.00 0.00 C ATOM 0 H ALA A 12 -8.547 -10.961 -7.491 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.427 -11.208 -7.890 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.806 -13.450 -8.729 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.878 -12.163 -9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.115 -13.147 -8.263 1.00 0.00 H new ATOM 123 N GLU A 13 -11.843 -11.918 -5.524 1.00 0.00 N ATOM 124 CA GLU A 13 -12.243 -12.513 -4.255 1.00 0.00 C ATOM 125 C GLU A 13 -11.022 -12.875 -3.414 1.00 0.00 C ATOM 126 O GLU A 13 -11.063 -13.807 -2.611 1.00 0.00 O ATOM 127 CB GLU A 13 -13.096 -13.760 -4.498 1.00 0.00 C ATOM 128 CG GLU A 13 -12.402 -14.818 -5.338 1.00 0.00 C ATOM 129 CD GLU A 13 -13.204 -16.101 -5.440 1.00 0.00 C ATOM 130 OE1 GLU A 13 -14.361 -16.043 -5.907 1.00 0.00 O ATOM 131 OE2 GLU A 13 -12.674 -17.164 -5.053 1.00 0.00 O ATOM 0 H GLU A 13 -12.402 -11.114 -5.808 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.834 -11.778 -3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.371 -14.194 -3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.022 -13.466 -4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.226 -14.424 -6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.426 -15.038 -4.905 1.00 0.00 H new ATOM 138 N GLU A 14 -9.937 -12.131 -3.606 1.00 0.00 N ATOM 139 CA GLU A 14 -8.704 -12.375 -2.867 1.00 0.00 C ATOM 140 C GLU A 14 -8.892 -12.077 -1.382 1.00 0.00 C ATOM 141 O GLU A 14 -9.928 -11.555 -0.968 1.00 0.00 O ATOM 142 CB GLU A 14 -7.568 -11.518 -3.430 1.00 0.00 C ATOM 143 CG GLU A 14 -7.001 -12.043 -4.739 1.00 0.00 C ATOM 144 CD GLU A 14 -6.301 -13.378 -4.577 1.00 0.00 C ATOM 145 OE1 GLU A 14 -7.000 -14.404 -4.443 1.00 0.00 O ATOM 146 OE2 GLU A 14 -5.052 -13.397 -4.585 1.00 0.00 O ATOM 0 H GLU A 14 -9.887 -11.355 -4.266 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.446 -13.428 -2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.932 -10.502 -3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.767 -11.462 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.808 -12.146 -5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.298 -11.315 -5.144 1.00 0.00 H new ATOM 153 N LEU A 15 -7.884 -12.412 -0.585 1.00 0.00 N ATOM 154 CA LEU A 15 -7.937 -12.182 0.854 1.00 0.00 C ATOM 155 C LEU A 15 -8.398 -10.761 1.162 1.00 0.00 C ATOM 156 O LEU A 15 -8.144 -9.822 0.406 1.00 0.00 O ATOM 157 CB LEU A 15 -6.564 -12.431 1.481 1.00 0.00 C ATOM 158 CG LEU A 15 -6.114 -13.891 1.553 1.00 0.00 C ATOM 159 CD1 LEU A 15 -4.627 -13.977 1.862 1.00 0.00 C ATOM 160 CD2 LEU A 15 -6.922 -14.648 2.597 1.00 0.00 C ATOM 0 H LEU A 15 -7.020 -12.844 -0.911 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.658 -12.879 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.821 -11.870 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.569 -12.023 2.492 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.290 -14.353 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.325 -15.023 1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.063 -13.472 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.426 -13.498 2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.588 -15.685 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.779 -14.185 3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.979 -14.617 2.332 1.00 0.00 H new ATOM 172 N PRO A 16 -9.091 -10.596 2.298 1.00 0.00 N ATOM 173 CA PRO A 16 -9.600 -9.292 2.733 1.00 0.00 C ATOM 174 C PRO A 16 -8.483 -8.348 3.163 1.00 0.00 C ATOM 175 O PRO A 16 -7.725 -8.646 4.086 1.00 0.00 O ATOM 176 CB PRO A 16 -10.494 -9.641 3.926 1.00 0.00 C ATOM 177 CG PRO A 16 -9.949 -10.926 4.446 1.00 0.00 C ATOM 178 CD PRO A 16 -9.430 -11.671 3.246 1.00 0.00 C ATOM 0 HA PRO A 16 -10.121 -8.769 1.931 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.461 -8.861 4.686 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.535 -9.747 3.622 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.153 -10.748 5.169 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.722 -11.500 4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.559 -12.277 3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.181 -12.346 2.836 1.00 0.00 H new ATOM 186 N ALA A 17 -8.386 -7.207 2.487 1.00 0.00 N ATOM 187 CA ALA A 17 -7.362 -6.218 2.801 1.00 0.00 C ATOM 188 C ALA A 17 -7.988 -4.924 3.310 1.00 0.00 C ATOM 189 O ALA A 17 -8.828 -4.324 2.640 1.00 0.00 O ATOM 190 CB ALA A 17 -6.500 -5.945 1.578 1.00 0.00 C ATOM 0 H ALA A 17 -9.004 -6.945 1.719 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.731 -6.622 3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.740 -5.205 1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.017 -6.869 1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.125 -5.566 0.770 1.00 0.00 H new ATOM 196 N ARG A 18 -7.573 -4.499 4.499 1.00 0.00 N ATOM 197 CA ARG A 18 -8.094 -3.276 5.098 1.00 0.00 C ATOM 198 C ARG A 18 -7.923 -2.092 4.152 1.00 0.00 C ATOM 199 O ARG A 18 -6.824 -1.556 4.005 1.00 0.00 O ATOM 200 CB ARG A 18 -7.386 -2.991 6.424 1.00 0.00 C ATOM 201 CG ARG A 18 -8.070 -3.617 7.627 1.00 0.00 C ATOM 202 CD ARG A 18 -7.896 -2.764 8.874 1.00 0.00 C ATOM 203 NE ARG A 18 -7.824 -3.574 10.087 1.00 0.00 N ATOM 204 CZ ARG A 18 -7.886 -3.068 11.313 1.00 0.00 C ATOM 205 NH1 ARG A 18 -8.020 -1.761 11.489 1.00 0.00 N ATOM 206 NH2 ARG A 18 -7.814 -3.871 12.368 1.00 0.00 N ATOM 0 H ARG A 18 -6.878 -4.984 5.066 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.158 -3.417 5.286 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.362 -3.360 6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.328 -1.912 6.570 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.132 -3.744 7.417 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.659 -4.611 7.804 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.988 -2.168 8.782 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.729 -2.065 8.954 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.720 -4.584 9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.076 -1.141 10.681 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.067 -1.376 12.432 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.711 -4.877 12.237 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.862 -3.482 13.310 1.00 0.00 H new ATOM 220 N ILE A 19 -9.017 -1.689 3.514 1.00 0.00 N ATOM 221 CA ILE A 19 -8.988 -0.567 2.583 1.00 0.00 C ATOM 222 C ILE A 19 -8.866 0.760 3.324 1.00 0.00 C ATOM 223 O ILE A 19 -9.828 1.238 3.925 1.00 0.00 O ATOM 224 CB ILE A 19 -10.249 -0.535 1.700 1.00 0.00 C ATOM 225 CG1 ILE A 19 -10.481 -1.903 1.054 1.00 0.00 C ATOM 226 CG2 ILE A 19 -10.125 0.545 0.637 1.00 0.00 C ATOM 227 CD1 ILE A 19 -9.470 -2.243 -0.019 1.00 0.00 C ATOM 0 H ILE A 19 -9.934 -2.122 3.625 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.113 -0.707 1.948 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.108 -0.301 2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.451 -2.671 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.481 -1.926 0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -11.024 0.554 0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -10.004 1.516 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.258 0.340 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.695 -3.226 -0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.516 -1.496 -0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.470 -2.252 0.414 1.00 0.00 H new ATOM 239 N PHE A 20 -7.677 1.351 3.276 1.00 0.00 N ATOM 240 CA PHE A 20 -7.429 2.624 3.943 1.00 0.00 C ATOM 241 C PHE A 20 -7.101 3.715 2.927 1.00 0.00 C ATOM 242 O PHE A 20 -6.369 3.484 1.964 1.00 0.00 O ATOM 243 CB PHE A 20 -6.281 2.484 4.945 1.00 0.00 C ATOM 244 CG PHE A 20 -6.707 1.913 6.267 1.00 0.00 C ATOM 245 CD1 PHE A 20 -7.505 0.782 6.323 1.00 0.00 C ATOM 246 CD2 PHE A 20 -6.308 2.506 7.454 1.00 0.00 C ATOM 247 CE1 PHE A 20 -7.898 0.253 7.538 1.00 0.00 C ATOM 248 CE2 PHE A 20 -6.698 1.982 8.672 1.00 0.00 C ATOM 249 CZ PHE A 20 -7.495 0.855 8.714 1.00 0.00 C ATOM 0 H PHE A 20 -6.870 0.969 2.782 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.336 2.909 4.477 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.509 1.846 4.514 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.831 3.463 5.109 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.824 0.308 5.406 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.685 3.388 7.427 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.519 -0.630 7.568 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.380 2.453 9.590 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.803 0.445 9.665 1.00 0.00 H new ATOM 259 N VAL A 21 -7.650 4.905 3.148 1.00 0.00 N ATOM 260 CA VAL A 21 -7.417 6.033 2.254 1.00 0.00 C ATOM 261 C VAL A 21 -6.399 7.002 2.845 1.00 0.00 C ATOM 262 O VAL A 21 -6.212 7.058 4.060 1.00 0.00 O ATOM 263 CB VAL A 21 -8.723 6.795 1.959 1.00 0.00 C ATOM 264 CG1 VAL A 21 -9.029 7.782 3.075 1.00 0.00 C ATOM 265 CG2 VAL A 21 -8.633 7.505 0.617 1.00 0.00 C ATOM 0 H VAL A 21 -8.260 5.113 3.939 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.026 5.623 1.323 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.540 6.076 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.955 8.311 2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.139 7.244 4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.213 8.499 3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.564 8.038 0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.806 8.214 0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.465 6.772 -0.172 1.00 0.00 H new ATOM 275 N ALA A 22 -5.742 7.764 1.976 1.00 0.00 N ATOM 276 CA ALA A 22 -4.744 8.733 2.412 1.00 0.00 C ATOM 277 C ALA A 22 -5.383 10.089 2.695 1.00 0.00 C ATOM 278 O ALA A 22 -6.092 10.640 1.852 1.00 0.00 O ATOM 279 CB ALA A 22 -3.650 8.871 1.364 1.00 0.00 C ATOM 0 H ALA A 22 -5.883 7.729 0.966 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.300 8.369 3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.911 9.598 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.167 7.906 1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.087 9.209 0.424 1.00 0.00 H new ATOM 285 N LEU A 23 -5.127 10.621 3.884 1.00 0.00 N ATOM 286 CA LEU A 23 -5.677 11.913 4.279 1.00 0.00 C ATOM 287 C LEU A 23 -4.737 13.048 3.886 1.00 0.00 C ATOM 288 O LEU A 23 -5.161 14.193 3.727 1.00 0.00 O ATOM 289 CB LEU A 23 -5.929 11.944 5.787 1.00 0.00 C ATOM 290 CG LEU A 23 -6.935 10.923 6.321 1.00 0.00 C ATOM 291 CD1 LEU A 23 -7.288 11.227 7.768 1.00 0.00 C ATOM 292 CD2 LEU A 23 -8.187 10.907 5.456 1.00 0.00 C ATOM 0 H LEU A 23 -4.542 10.178 4.592 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.623 12.052 3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.978 11.789 6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.276 12.941 6.057 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.477 9.935 6.281 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.005 10.490 8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.386 11.187 8.379 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.727 12.223 7.834 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.892 10.175 5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.647 11.895 5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.920 10.639 4.434 1.00 0.00 H new ATOM 304 N PHE A 24 -3.458 12.723 3.728 1.00 0.00 N ATOM 305 CA PHE A 24 -2.457 13.715 3.352 1.00 0.00 C ATOM 306 C PHE A 24 -1.274 13.055 2.651 1.00 0.00 C ATOM 307 O PHE A 24 -0.776 12.019 3.093 1.00 0.00 O ATOM 308 CB PHE A 24 -1.973 14.476 4.588 1.00 0.00 C ATOM 309 CG PHE A 24 -3.055 14.729 5.599 1.00 0.00 C ATOM 310 CD1 PHE A 24 -3.378 13.768 6.543 1.00 0.00 C ATOM 311 CD2 PHE A 24 -3.749 15.928 5.604 1.00 0.00 C ATOM 312 CE1 PHE A 24 -4.374 13.999 7.473 1.00 0.00 C ATOM 313 CE2 PHE A 24 -4.746 16.165 6.532 1.00 0.00 C ATOM 314 CZ PHE A 24 -5.058 15.199 7.469 1.00 0.00 C ATOM 0 H PHE A 24 -3.090 11.780 3.855 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.920 14.418 2.660 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.170 13.911 5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.550 15.430 4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.846 12.828 6.552 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.508 16.687 4.874 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.617 13.241 8.203 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.280 17.104 6.524 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.835 15.382 8.197 1.00 0.00 H new ATOM 324 N ASP A 25 -0.829 13.662 1.557 1.00 0.00 N ATOM 325 CA ASP A 25 0.296 13.134 0.794 1.00 0.00 C ATOM 326 C ASP A 25 1.426 12.698 1.722 1.00 0.00 C ATOM 327 O ASP A 25 1.643 13.297 2.775 1.00 0.00 O ATOM 328 CB ASP A 25 0.808 14.184 -0.194 1.00 0.00 C ATOM 329 CG ASP A 25 0.903 15.564 0.427 1.00 0.00 C ATOM 330 OD1 ASP A 25 1.335 15.661 1.595 1.00 0.00 O ATOM 331 OD2 ASP A 25 0.547 16.547 -0.256 1.00 0.00 O ATOM 0 H ASP A 25 -1.230 14.520 1.178 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.051 12.262 0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.790 13.885 -0.561 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.143 14.222 -1.057 1.00 0.00 H new ATOM 336 N TYR A 26 2.140 11.651 1.325 1.00 0.00 N ATOM 337 CA TYR A 26 3.245 11.132 2.122 1.00 0.00 C ATOM 338 C TYR A 26 4.513 11.012 1.283 1.00 0.00 C ATOM 339 O TYR A 26 4.560 10.255 0.314 1.00 0.00 O ATOM 340 CB TYR A 26 2.879 9.770 2.713 1.00 0.00 C ATOM 341 CG TYR A 26 3.993 9.140 3.518 1.00 0.00 C ATOM 342 CD1 TYR A 26 4.922 9.926 4.189 1.00 0.00 C ATOM 343 CD2 TYR A 26 4.117 7.759 3.608 1.00 0.00 C ATOM 344 CE1 TYR A 26 5.942 9.354 4.925 1.00 0.00 C ATOM 345 CE2 TYR A 26 5.132 7.179 4.343 1.00 0.00 C ATOM 346 CZ TYR A 26 6.043 7.981 4.999 1.00 0.00 C ATOM 347 OH TYR A 26 7.057 7.408 5.732 1.00 0.00 O ATOM 0 H TYR A 26 1.973 11.145 0.455 1.00 0.00 H new ATOM 0 HA TYR A 26 3.435 11.834 2.934 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.002 9.884 3.350 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.600 9.095 1.904 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.845 11.002 4.134 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.407 7.128 3.094 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.657 9.979 5.440 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.212 6.104 4.404 1.00 0.00 H new ATOM 0 HH TYR A 26 7.922 7.656 5.344 1.00 0.00 H new ATOM 357 N ASP A 27 5.540 11.764 1.664 1.00 0.00 N ATOM 358 CA ASP A 27 6.811 11.742 0.949 1.00 0.00 C ATOM 359 C ASP A 27 7.941 11.282 1.865 1.00 0.00 C ATOM 360 O ASP A 27 8.534 12.069 2.603 1.00 0.00 O ATOM 361 CB ASP A 27 7.127 13.128 0.384 1.00 0.00 C ATOM 362 CG ASP A 27 7.963 13.061 -0.879 1.00 0.00 C ATOM 363 OD1 ASP A 27 8.130 11.949 -1.422 1.00 0.00 O ATOM 364 OD2 ASP A 27 8.448 14.121 -1.325 1.00 0.00 O ATOM 0 H ASP A 27 5.517 12.396 2.464 1.00 0.00 H new ATOM 0 HA ASP A 27 6.724 11.034 0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.195 13.652 0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.657 13.712 1.137 1.00 0.00 H new ATOM 369 N PRO A 28 8.248 9.977 1.818 1.00 0.00 N ATOM 370 CA PRO A 28 9.308 9.383 2.637 1.00 0.00 C ATOM 371 C PRO A 28 10.699 9.826 2.195 1.00 0.00 C ATOM 372 O PRO A 28 11.701 9.474 2.818 1.00 0.00 O ATOM 373 CB PRO A 28 9.129 7.880 2.412 1.00 0.00 C ATOM 374 CG PRO A 28 8.467 7.771 1.082 1.00 0.00 C ATOM 375 CD PRO A 28 7.583 8.981 0.961 1.00 0.00 C ATOM 0 HA PRO A 28 9.233 9.684 3.682 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.088 7.362 2.420 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.518 7.433 3.196 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.204 7.744 0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.884 6.853 1.010 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.510 9.324 -0.071 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.568 8.773 1.300 1.00 0.00 H new ATOM 383 N LEU A 29 10.753 10.600 1.116 1.00 0.00 N ATOM 384 CA LEU A 29 12.022 11.092 0.591 1.00 0.00 C ATOM 385 C LEU A 29 12.363 12.457 1.181 1.00 0.00 C ATOM 386 O LEU A 29 13.521 12.876 1.176 1.00 0.00 O ATOM 387 CB LEU A 29 11.963 11.183 -0.935 1.00 0.00 C ATOM 388 CG LEU A 29 11.411 9.956 -1.660 1.00 0.00 C ATOM 389 CD1 LEU A 29 11.699 10.042 -3.151 1.00 0.00 C ATOM 390 CD2 LEU A 29 11.999 8.680 -1.074 1.00 0.00 C ATOM 0 H LEU A 29 9.933 10.900 0.588 1.00 0.00 H new ATOM 0 HA LEU A 29 12.803 10.388 0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.352 12.045 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.969 11.377 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 29 10.330 9.932 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 29 11.299 9.160 -3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.229 10.936 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.776 10.092 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.595 7.817 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.084 8.696 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.741 8.612 -0.017 1.00 0.00 H new ATOM 402 N THR A 30 11.347 13.146 1.690 1.00 0.00 N ATOM 403 CA THR A 30 11.539 14.463 2.285 1.00 0.00 C ATOM 404 C THR A 30 10.978 14.513 3.701 1.00 0.00 C ATOM 405 O THR A 30 11.110 15.521 4.396 1.00 0.00 O ATOM 406 CB THR A 30 10.870 15.564 1.440 1.00 0.00 C ATOM 407 OG1 THR A 30 9.447 15.405 1.467 1.00 0.00 O ATOM 408 CG2 THR A 30 11.363 15.517 0.002 1.00 0.00 C ATOM 0 H THR A 30 10.383 12.814 1.702 1.00 0.00 H new ATOM 0 HA THR A 30 12.614 14.642 2.317 1.00 0.00 H new ATOM 0 HB THR A 30 11.136 16.531 1.867 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.029 16.109 0.929 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.877 16.303 -0.575 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.442 15.667 -0.018 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.124 14.547 -0.433 1.00 0.00 H new ATOM 416 N MET A 31 10.352 13.420 4.124 1.00 0.00 N ATOM 417 CA MET A 31 9.772 13.340 5.460 1.00 0.00 C ATOM 418 C MET A 31 10.649 12.501 6.384 1.00 0.00 C ATOM 419 O MET A 31 10.971 12.918 7.496 1.00 0.00 O ATOM 420 CB MET A 31 8.365 12.744 5.393 1.00 0.00 C ATOM 421 CG MET A 31 7.336 13.681 4.783 1.00 0.00 C ATOM 422 SD MET A 31 5.669 13.380 5.401 1.00 0.00 S ATOM 423 CE MET A 31 4.836 14.874 4.870 1.00 0.00 C ATOM 0 H MET A 31 10.233 12.578 3.561 1.00 0.00 H new ATOM 0 HA MET A 31 9.712 14.350 5.864 1.00 0.00 H new ATOM 0 HB2 MET A 31 8.397 11.824 4.810 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.046 12.473 6.399 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.618 14.712 4.997 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.344 13.566 3.699 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.791 14.838 5.179 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.319 15.740 5.323 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.890 14.955 3.784 1.00 0.00 H new ATOM 433 N SER A 32 11.033 11.318 5.915 1.00 0.00 N ATOM 434 CA SER A 32 11.869 10.419 6.702 1.00 0.00 C ATOM 435 C SER A 32 13.276 10.988 6.862 1.00 0.00 C ATOM 436 O SER A 32 13.836 11.594 5.949 1.00 0.00 O ATOM 437 CB SER A 32 11.936 9.041 6.040 1.00 0.00 C ATOM 438 OG SER A 32 12.449 8.070 6.936 1.00 0.00 O ATOM 0 H SER A 32 10.779 10.960 4.994 1.00 0.00 H new ATOM 0 HA SER A 32 11.422 10.318 7.691 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.941 8.745 5.708 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.567 9.091 5.152 1.00 0.00 H new ATOM 0 HG SER A 32 11.746 7.423 7.154 1.00 0.00 H new ATOM 444 N PRO A 33 13.862 10.788 8.052 1.00 0.00 N ATOM 445 CA PRO A 33 15.210 11.272 8.362 1.00 0.00 C ATOM 446 C PRO A 33 16.289 10.515 7.594 1.00 0.00 C ATOM 447 O PRO A 33 17.391 11.022 7.391 1.00 0.00 O ATOM 448 CB PRO A 33 15.343 11.015 9.865 1.00 0.00 C ATOM 449 CG PRO A 33 14.400 9.896 10.142 1.00 0.00 C ATOM 450 CD PRO A 33 13.253 10.074 9.187 1.00 0.00 C ATOM 0 HA PRO A 33 15.342 12.317 8.081 1.00 0.00 H new ATOM 0 HB2 PRO A 33 16.365 10.747 10.132 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.085 11.902 10.443 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.885 8.931 9.993 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.055 9.923 11.176 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.833 9.116 8.880 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.442 10.649 9.635 1.00 0.00 H new ATOM 458 N ASN A 34 15.962 9.298 7.171 1.00 0.00 N ATOM 459 CA ASN A 34 16.904 8.471 6.425 1.00 0.00 C ATOM 460 C ASN A 34 16.352 8.128 5.044 1.00 0.00 C ATOM 461 O ASN A 34 15.229 7.646 4.900 1.00 0.00 O ATOM 462 CB ASN A 34 17.209 7.187 7.198 1.00 0.00 C ATOM 463 CG ASN A 34 18.420 6.456 6.650 1.00 0.00 C ATOM 464 OD1 ASN A 34 18.609 6.366 5.437 1.00 0.00 O ATOM 465 ND2 ASN A 34 19.248 5.929 7.545 1.00 0.00 N ATOM 0 H ASN A 34 15.053 8.863 7.332 1.00 0.00 H new ATOM 0 HA ASN A 34 17.826 9.038 6.297 1.00 0.00 H new ATOM 0 HB2 ASN A 34 17.378 7.429 8.247 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.342 6.528 7.159 1.00 0.00 H new ATOM 0 HD21 ASN A 34 20.080 5.426 7.236 1.00 0.00 H new ATOM 0 HD22 ASN A 34 19.052 6.028 8.541 1.00 0.00 H new ATOM 472 N PRO A 35 17.161 8.382 4.005 1.00 0.00 N ATOM 473 CA PRO A 35 16.776 8.106 2.617 1.00 0.00 C ATOM 474 C PRO A 35 16.702 6.612 2.322 1.00 0.00 C ATOM 475 O PRO A 35 15.757 6.142 1.687 1.00 0.00 O ATOM 476 CB PRO A 35 17.896 8.758 1.802 1.00 0.00 C ATOM 477 CG PRO A 35 19.071 8.774 2.718 1.00 0.00 C ATOM 478 CD PRO A 35 18.513 8.955 4.103 1.00 0.00 C ATOM 0 HA PRO A 35 15.783 8.490 2.385 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.108 8.191 0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.623 9.766 1.490 1.00 0.00 H new ATOM 0 HG2 PRO A 35 19.637 7.845 2.643 1.00 0.00 H new ATOM 0 HG3 PRO A 35 19.754 9.585 2.463 1.00 0.00 H new ATOM 0 HD2 PRO A 35 19.115 8.437 4.849 1.00 0.00 H new ATOM 0 HD3 PRO A 35 18.484 10.006 4.390 1.00 0.00 H new ATOM 486 N ASP A 36 17.702 5.872 2.785 1.00 0.00 N ATOM 487 CA ASP A 36 17.749 4.430 2.571 1.00 0.00 C ATOM 488 C ASP A 36 16.596 3.736 3.290 1.00 0.00 C ATOM 489 O ASP A 36 15.897 2.909 2.706 1.00 0.00 O ATOM 490 CB ASP A 36 19.084 3.864 3.059 1.00 0.00 C ATOM 491 CG ASP A 36 19.143 2.353 2.959 1.00 0.00 C ATOM 492 OD1 ASP A 36 18.503 1.677 3.792 1.00 0.00 O ATOM 493 OD2 ASP A 36 19.829 1.845 2.047 1.00 0.00 O ATOM 0 H ASP A 36 18.492 6.246 3.311 1.00 0.00 H new ATOM 0 HA ASP A 36 17.652 4.243 1.502 1.00 0.00 H new ATOM 0 HB2 ASP A 36 19.895 4.296 2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 36 19.245 4.163 4.095 1.00 0.00 H new ATOM 498 N ALA A 37 16.405 4.079 4.559 1.00 0.00 N ATOM 499 CA ALA A 37 15.336 3.490 5.357 1.00 0.00 C ATOM 500 C ALA A 37 13.967 3.847 4.789 1.00 0.00 C ATOM 501 O ALA A 37 13.022 3.065 4.885 1.00 0.00 O ATOM 502 CB ALA A 37 15.445 3.946 6.804 1.00 0.00 C ATOM 0 H ALA A 37 16.976 4.762 5.057 1.00 0.00 H new ATOM 0 HA ALA A 37 15.444 2.406 5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 37 14.641 3.499 7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 37 16.406 3.634 7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 37 15.366 5.032 6.850 1.00 0.00 H new ATOM 508 N ALA A 38 13.867 5.034 4.199 1.00 0.00 N ATOM 509 CA ALA A 38 12.614 5.494 3.615 1.00 0.00 C ATOM 510 C ALA A 38 12.038 4.453 2.660 1.00 0.00 C ATOM 511 O ALA A 38 10.823 4.278 2.579 1.00 0.00 O ATOM 512 CB ALA A 38 12.822 6.817 2.893 1.00 0.00 C ATOM 0 H ALA A 38 14.640 5.694 4.113 1.00 0.00 H new ATOM 0 HA ALA A 38 11.898 5.643 4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.877 7.149 2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.180 7.565 3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.557 6.687 2.099 1.00 0.00 H new ATOM 518 N GLU A 39 12.919 3.766 1.941 1.00 0.00 N ATOM 519 CA GLU A 39 12.497 2.744 0.990 1.00 0.00 C ATOM 520 C GLU A 39 11.440 1.832 1.606 1.00 0.00 C ATOM 521 O GLU A 39 10.470 1.456 0.948 1.00 0.00 O ATOM 522 CB GLU A 39 13.698 1.914 0.533 1.00 0.00 C ATOM 523 CG GLU A 39 14.414 2.494 -0.675 1.00 0.00 C ATOM 524 CD GLU A 39 13.736 2.136 -1.983 1.00 0.00 C ATOM 525 OE1 GLU A 39 13.321 0.968 -2.137 1.00 0.00 O ATOM 526 OE2 GLU A 39 13.621 3.024 -2.854 1.00 0.00 O ATOM 0 H GLU A 39 13.929 3.898 1.998 1.00 0.00 H new ATOM 0 HA GLU A 39 12.061 3.246 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.405 1.829 1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.362 0.904 0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.460 3.579 -0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.442 2.132 -0.692 1.00 0.00 H new ATOM 533 N GLU A 40 11.636 1.480 2.873 1.00 0.00 N ATOM 534 CA GLU A 40 10.700 0.611 3.578 1.00 0.00 C ATOM 535 C GLU A 40 9.306 1.229 3.613 1.00 0.00 C ATOM 536 O GLU A 40 8.303 0.529 3.478 1.00 0.00 O ATOM 537 CB GLU A 40 11.190 0.347 5.003 1.00 0.00 C ATOM 538 CG GLU A 40 12.628 -0.138 5.073 1.00 0.00 C ATOM 539 CD GLU A 40 12.938 -0.861 6.369 1.00 0.00 C ATOM 540 OE1 GLU A 40 12.342 -0.500 7.406 1.00 0.00 O ATOM 541 OE2 GLU A 40 13.775 -1.787 6.347 1.00 0.00 O ATOM 0 H GLU A 40 12.434 1.783 3.432 1.00 0.00 H new ATOM 0 HA GLU A 40 10.645 -0.335 3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.096 1.263 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.542 -0.395 5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.824 -0.805 4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.300 0.713 4.967 1.00 0.00 H new ATOM 548 N GLU A 41 9.252 2.544 3.796 1.00 0.00 N ATOM 549 CA GLU A 41 7.980 3.256 3.851 1.00 0.00 C ATOM 550 C GLU A 41 7.284 3.232 2.493 1.00 0.00 C ATOM 551 O GLU A 41 7.937 3.180 1.449 1.00 0.00 O ATOM 552 CB GLU A 41 8.199 4.703 4.299 1.00 0.00 C ATOM 553 CG GLU A 41 8.649 4.831 5.745 1.00 0.00 C ATOM 554 CD GLU A 41 9.385 6.129 6.014 1.00 0.00 C ATOM 555 OE1 GLU A 41 9.531 6.935 5.071 1.00 0.00 O ATOM 556 OE2 GLU A 41 9.815 6.338 7.168 1.00 0.00 O ATOM 0 H GLU A 41 10.073 3.138 3.909 1.00 0.00 H new ATOM 0 HA GLU A 41 7.341 2.752 4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.945 5.166 3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.272 5.260 4.165 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.779 4.768 6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.297 3.991 5.996 1.00 0.00 H new ATOM 563 N LEU A 42 5.957 3.271 2.515 1.00 0.00 N ATOM 564 CA LEU A 42 5.171 3.253 1.286 1.00 0.00 C ATOM 565 C LEU A 42 4.557 4.622 1.013 1.00 0.00 C ATOM 566 O LEU A 42 3.588 5.034 1.651 1.00 0.00 O ATOM 567 CB LEU A 42 4.069 2.196 1.377 1.00 0.00 C ATOM 568 CG LEU A 42 3.656 1.541 0.059 1.00 0.00 C ATOM 569 CD1 LEU A 42 2.507 0.570 0.282 1.00 0.00 C ATOM 570 CD2 LEU A 42 3.272 2.599 -0.965 1.00 0.00 C ATOM 0 H LEU A 42 5.402 3.315 3.370 1.00 0.00 H new ATOM 0 HA LEU A 42 5.838 3.003 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.399 1.414 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.187 2.657 1.822 1.00 0.00 H new ATOM 0 HG LEU A 42 4.507 0.981 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.227 0.114 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.818 -0.207 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.652 1.107 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.981 2.115 -1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.436 3.187 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.123 3.255 -1.147 1.00 0.00 H new ATOM 582 N PRO A 43 5.131 5.345 0.039 1.00 0.00 N ATOM 583 CA PRO A 43 4.655 6.678 -0.343 1.00 0.00 C ATOM 584 C PRO A 43 3.301 6.631 -1.042 1.00 0.00 C ATOM 585 O PRO A 43 3.039 5.739 -1.850 1.00 0.00 O ATOM 586 CB PRO A 43 5.737 7.179 -1.304 1.00 0.00 C ATOM 587 CG PRO A 43 6.350 5.941 -1.862 1.00 0.00 C ATOM 588 CD PRO A 43 6.289 4.917 -0.763 1.00 0.00 C ATOM 0 HA PRO A 43 4.505 7.322 0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.310 7.799 -2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.477 7.788 -0.785 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.807 5.600 -2.744 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.380 6.121 -2.171 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.154 3.910 -1.159 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.205 4.907 -0.172 1.00 0.00 H new ATOM 596 N PHE A 44 2.444 7.597 -0.728 1.00 0.00 N ATOM 597 CA PHE A 44 1.116 7.666 -1.327 1.00 0.00 C ATOM 598 C PHE A 44 0.600 9.101 -1.341 1.00 0.00 C ATOM 599 O PHE A 44 0.995 9.924 -0.515 1.00 0.00 O ATOM 600 CB PHE A 44 0.142 6.768 -0.561 1.00 0.00 C ATOM 601 CG PHE A 44 0.210 6.944 0.929 1.00 0.00 C ATOM 602 CD1 PHE A 44 -0.392 8.033 1.540 1.00 0.00 C ATOM 603 CD2 PHE A 44 0.874 6.020 1.719 1.00 0.00 C ATOM 604 CE1 PHE A 44 -0.330 8.197 2.911 1.00 0.00 C ATOM 605 CE2 PHE A 44 0.939 6.179 3.091 1.00 0.00 C ATOM 606 CZ PHE A 44 0.335 7.268 3.687 1.00 0.00 C ATOM 0 H PHE A 44 2.645 8.343 -0.062 1.00 0.00 H new ATOM 0 HA PHE A 44 1.189 7.316 -2.357 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.874 6.977 -0.898 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.351 5.727 -0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.915 8.761 0.938 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.347 5.165 1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.801 9.051 3.375 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.461 5.452 3.695 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.382 7.393 4.759 1.00 0.00 H new ATOM 616 N LYS A 45 -0.287 9.395 -2.285 1.00 0.00 N ATOM 617 CA LYS A 45 -0.860 10.730 -2.409 1.00 0.00 C ATOM 618 C LYS A 45 -2.217 10.806 -1.715 1.00 0.00 C ATOM 619 O LYS A 45 -2.846 9.783 -1.450 1.00 0.00 O ATOM 620 CB LYS A 45 -1.008 11.110 -3.884 1.00 0.00 C ATOM 621 CG LYS A 45 0.309 11.452 -4.559 1.00 0.00 C ATOM 622 CD LYS A 45 0.913 12.724 -3.988 1.00 0.00 C ATOM 623 CE LYS A 45 2.207 13.094 -4.698 1.00 0.00 C ATOM 624 NZ LYS A 45 1.955 13.650 -6.056 1.00 0.00 N ATOM 0 H LYS A 45 -0.625 8.726 -2.976 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.183 11.435 -1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.477 10.283 -4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.681 11.964 -3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.009 10.626 -4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.149 11.573 -5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.198 13.542 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.106 12.590 -2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.752 13.826 -4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.842 12.212 -4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.855 13.952 -6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.518 12.920 -6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.315 14.467 -5.984 1.00 0.00 H new ATOM 638 N GLU A 46 -2.661 12.025 -1.425 1.00 0.00 N ATOM 639 CA GLU A 46 -3.943 12.233 -0.763 1.00 0.00 C ATOM 640 C GLU A 46 -5.086 11.663 -1.598 1.00 0.00 C ATOM 641 O GLU A 46 -5.199 11.947 -2.790 1.00 0.00 O ATOM 642 CB GLU A 46 -4.176 13.724 -0.510 1.00 0.00 C ATOM 643 CG GLU A 46 -5.308 14.007 0.463 1.00 0.00 C ATOM 644 CD GLU A 46 -5.835 15.425 0.349 1.00 0.00 C ATOM 645 OE1 GLU A 46 -5.551 16.083 -0.673 1.00 0.00 O ATOM 646 OE2 GLU A 46 -6.531 15.875 1.283 1.00 0.00 O ATOM 0 H GLU A 46 -2.152 12.883 -1.638 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.918 11.709 0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.258 14.166 -0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.392 14.215 -1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.122 13.305 0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.959 13.834 1.481 1.00 0.00 H new ATOM 653 N GLY A 47 -5.930 10.856 -0.963 1.00 0.00 N ATOM 654 CA GLY A 47 -7.052 10.258 -1.662 1.00 0.00 C ATOM 655 C GLY A 47 -6.726 8.883 -2.211 1.00 0.00 C ATOM 656 O GLY A 47 -7.626 8.106 -2.528 1.00 0.00 O ATOM 0 H GLY A 47 -5.857 10.606 0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.901 10.183 -0.983 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.356 10.910 -2.481 1.00 0.00 H new ATOM 660 N GLN A 48 -5.437 8.584 -2.327 1.00 0.00 N ATOM 661 CA GLN A 48 -4.995 7.295 -2.845 1.00 0.00 C ATOM 662 C GLN A 48 -5.451 6.158 -1.936 1.00 0.00 C ATOM 663 O GLN A 48 -5.523 6.317 -0.717 1.00 0.00 O ATOM 664 CB GLN A 48 -3.472 7.272 -2.986 1.00 0.00 C ATOM 665 CG GLN A 48 -2.928 5.945 -3.489 1.00 0.00 C ATOM 666 CD GLN A 48 -1.413 5.894 -3.478 1.00 0.00 C ATOM 667 OE1 GLN A 48 -0.749 6.665 -4.172 1.00 0.00 O ATOM 668 NE2 GLN A 48 -0.856 4.984 -2.687 1.00 0.00 N ATOM 0 H GLN A 48 -4.680 9.217 -2.069 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.445 7.153 -3.828 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.167 8.063 -3.671 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.022 7.496 -2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.319 5.138 -2.870 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.286 5.771 -4.504 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.444 4.365 -2.129 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.160 4.904 -2.638 1.00 0.00 H new ATOM 677 N ILE A 49 -5.757 5.013 -2.536 1.00 0.00 N ATOM 678 CA ILE A 49 -6.205 3.850 -1.780 1.00 0.00 C ATOM 679 C ILE A 49 -5.045 2.902 -1.493 1.00 0.00 C ATOM 680 O ILE A 49 -4.164 2.712 -2.331 1.00 0.00 O ATOM 681 CB ILE A 49 -7.308 3.081 -2.530 1.00 0.00 C ATOM 682 CG1 ILE A 49 -8.455 4.024 -2.902 1.00 0.00 C ATOM 683 CG2 ILE A 49 -7.819 1.926 -1.683 1.00 0.00 C ATOM 684 CD1 ILE A 49 -9.335 4.395 -1.730 1.00 0.00 C ATOM 0 H ILE A 49 -5.703 4.866 -3.544 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.610 4.222 -0.839 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.885 2.673 -3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.041 4.933 -3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.067 3.553 -3.671 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.598 1.393 -2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.997 1.244 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.228 2.313 -0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.126 5.065 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.778 3.493 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.736 4.895 -0.969 1.00 0.00 H new ATOM 696 N ILE A 50 -5.055 2.308 -0.304 1.00 0.00 N ATOM 697 CA ILE A 50 -4.006 1.377 0.092 1.00 0.00 C ATOM 698 C ILE A 50 -4.598 0.086 0.648 1.00 0.00 C ATOM 699 O ILE A 50 -5.517 0.113 1.467 1.00 0.00 O ATOM 700 CB ILE A 50 -3.073 1.997 1.149 1.00 0.00 C ATOM 701 CG1 ILE A 50 -2.432 3.277 0.608 1.00 0.00 C ATOM 702 CG2 ILE A 50 -2.003 0.997 1.563 1.00 0.00 C ATOM 703 CD1 ILE A 50 -1.969 4.226 1.691 1.00 0.00 C ATOM 0 H ILE A 50 -5.777 2.455 0.401 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.428 1.153 -0.805 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.664 2.253 2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.581 3.011 -0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.150 3.791 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.351 1.450 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.477 0.110 1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.413 0.714 0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.525 5.111 1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.821 4.522 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.227 3.730 2.317 1.00 0.00 H new ATOM 715 N LYS A 51 -4.064 -1.044 0.198 1.00 0.00 N ATOM 716 CA LYS A 51 -4.536 -2.347 0.652 1.00 0.00 C ATOM 717 C LYS A 51 -3.759 -2.810 1.880 1.00 0.00 C ATOM 718 O LYS A 51 -2.781 -3.548 1.767 1.00 0.00 O ATOM 719 CB LYS A 51 -4.400 -3.380 -0.469 1.00 0.00 C ATOM 720 CG LYS A 51 -5.589 -3.412 -1.414 1.00 0.00 C ATOM 721 CD LYS A 51 -5.435 -4.496 -2.468 1.00 0.00 C ATOM 722 CE LYS A 51 -6.340 -4.243 -3.664 1.00 0.00 C ATOM 723 NZ LYS A 51 -5.952 -3.010 -4.403 1.00 0.00 N ATOM 0 H LYS A 51 -3.304 -1.084 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.587 -2.250 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.497 -3.166 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.271 -4.368 -0.027 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.503 -3.584 -0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.694 -2.442 -1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.397 -4.539 -2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.671 -5.466 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.298 -5.099 -4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.372 -4.154 -3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.285 -3.075 -5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.383 -2.181 -3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.917 -2.911 -4.394 1.00 0.00 H new ATOM 737 N VAL A 52 -4.203 -2.372 3.055 1.00 0.00 N ATOM 738 CA VAL A 52 -3.551 -2.744 4.305 1.00 0.00 C ATOM 739 C VAL A 52 -3.761 -4.221 4.616 1.00 0.00 C ATOM 740 O VAL A 52 -4.893 -4.702 4.664 1.00 0.00 O ATOM 741 CB VAL A 52 -4.076 -1.903 5.483 1.00 0.00 C ATOM 742 CG1 VAL A 52 -3.604 -2.485 6.807 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.634 -0.454 5.341 1.00 0.00 C ATOM 0 H VAL A 52 -5.011 -1.760 3.167 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.486 -2.551 4.176 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.166 -1.930 5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.985 -1.877 7.628 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.974 -3.505 6.909 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.514 -2.490 6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.014 0.126 6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.545 -0.405 5.329 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.026 -0.044 4.410 1.00 0.00 H new ATOM 753 N TYR A 53 -2.662 -4.938 4.828 1.00 0.00 N ATOM 754 CA TYR A 53 -2.725 -6.362 5.133 1.00 0.00 C ATOM 755 C TYR A 53 -2.304 -6.629 6.574 1.00 0.00 C ATOM 756 O TYR A 53 -1.330 -6.059 7.065 1.00 0.00 O ATOM 757 CB TYR A 53 -1.832 -7.150 4.174 1.00 0.00 C ATOM 758 CG TYR A 53 -2.451 -7.370 2.812 1.00 0.00 C ATOM 759 CD1 TYR A 53 -3.513 -8.249 2.643 1.00 0.00 C ATOM 760 CD2 TYR A 53 -1.974 -6.697 1.694 1.00 0.00 C ATOM 761 CE1 TYR A 53 -4.081 -8.454 1.401 1.00 0.00 C ATOM 762 CE2 TYR A 53 -2.537 -6.894 0.448 1.00 0.00 C ATOM 763 CZ TYR A 53 -3.590 -7.774 0.306 1.00 0.00 C ATOM 764 OH TYR A 53 -4.154 -7.973 -0.933 1.00 0.00 O ATOM 0 H TYR A 53 -1.717 -4.556 4.794 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.757 -6.689 5.009 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.887 -6.620 4.053 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.600 -8.118 4.619 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.902 -8.782 3.498 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.149 -6.008 1.801 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.905 -9.143 1.288 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.155 -6.362 -0.411 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.692 -7.418 -1.596 1.00 0.00 H new ATOM 774 N GLY A 54 -3.045 -7.503 7.249 1.00 0.00 N ATOM 775 CA GLY A 54 -2.734 -7.833 8.627 1.00 0.00 C ATOM 776 C GLY A 54 -3.106 -6.721 9.588 1.00 0.00 C ATOM 777 O GLY A 54 -4.147 -6.081 9.434 1.00 0.00 O ATOM 0 H GLY A 54 -3.856 -7.988 6.865 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.263 -8.744 8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.668 -8.044 8.715 1.00 0.00 H new ATOM 781 N ASP A 55 -2.255 -6.490 10.582 1.00 0.00 N ATOM 782 CA ASP A 55 -2.501 -5.448 11.572 1.00 0.00 C ATOM 783 C ASP A 55 -1.251 -4.601 11.789 1.00 0.00 C ATOM 784 O ASP A 55 -0.235 -4.790 11.120 1.00 0.00 O ATOM 785 CB ASP A 55 -2.948 -6.068 12.896 1.00 0.00 C ATOM 786 CG ASP A 55 -3.745 -5.100 13.749 1.00 0.00 C ATOM 787 OD1 ASP A 55 -4.732 -4.532 13.236 1.00 0.00 O ATOM 788 OD2 ASP A 55 -3.382 -4.912 14.928 1.00 0.00 O ATOM 0 H ASP A 55 -1.389 -7.010 10.723 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.295 -4.803 11.196 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.552 -6.952 12.694 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.072 -6.401 13.452 1.00 0.00 H new ATOM 793 N LYS A 56 -1.334 -3.664 12.729 1.00 0.00 N ATOM 794 CA LYS A 56 -0.211 -2.787 13.036 1.00 0.00 C ATOM 795 C LYS A 56 0.939 -3.572 13.658 1.00 0.00 C ATOM 796 O LYS A 56 0.733 -4.640 14.235 1.00 0.00 O ATOM 797 CB LYS A 56 -0.653 -1.671 13.985 1.00 0.00 C ATOM 798 CG LYS A 56 -1.672 -0.723 13.377 1.00 0.00 C ATOM 799 CD LYS A 56 -1.681 0.618 14.090 1.00 0.00 C ATOM 800 CE LYS A 56 -2.386 0.529 15.435 1.00 0.00 C ATOM 801 NZ LYS A 56 -3.868 0.543 15.287 1.00 0.00 N ATOM 0 H LYS A 56 -2.168 -3.493 13.291 1.00 0.00 H new ATOM 0 HA LYS A 56 0.138 -2.345 12.103 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.076 -2.117 14.885 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.223 -1.100 14.294 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.446 -0.573 12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.664 -1.171 13.430 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.657 0.960 14.237 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.178 1.360 13.466 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.081 -0.385 15.945 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.076 1.364 16.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.296 -0.055 16.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.218 1.517 15.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.127 0.176 14.349 1.00 0.00 H new ATOM 815 N ASP A 57 2.149 -3.036 13.539 1.00 0.00 N ATOM 816 CA ASP A 57 3.331 -3.686 14.092 1.00 0.00 C ATOM 817 C ASP A 57 3.995 -2.802 15.144 1.00 0.00 C ATOM 818 O ASP A 57 3.537 -1.692 15.414 1.00 0.00 O ATOM 819 CB ASP A 57 4.329 -4.012 12.979 1.00 0.00 C ATOM 820 CG ASP A 57 3.745 -4.939 11.932 1.00 0.00 C ATOM 821 OD1 ASP A 57 3.676 -6.159 12.191 1.00 0.00 O ATOM 822 OD2 ASP A 57 3.355 -4.445 10.853 1.00 0.00 O ATOM 0 H ASP A 57 2.337 -2.153 13.064 1.00 0.00 H new ATOM 0 HA ASP A 57 3.015 -4.614 14.569 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.652 -3.087 12.502 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.216 -4.473 13.414 1.00 0.00 H new ATOM 827 N ALA A 58 5.074 -3.303 15.735 1.00 0.00 N ATOM 828 CA ALA A 58 5.801 -2.559 16.756 1.00 0.00 C ATOM 829 C ALA A 58 5.916 -1.085 16.384 1.00 0.00 C ATOM 830 O ALA A 58 5.453 -0.212 17.117 1.00 0.00 O ATOM 831 CB ALA A 58 7.182 -3.162 16.966 1.00 0.00 C ATOM 0 H ALA A 58 5.464 -4.221 15.524 1.00 0.00 H new ATOM 0 HA ALA A 58 5.241 -2.628 17.689 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.714 -2.596 17.731 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.081 -4.199 17.286 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.742 -3.123 16.032 1.00 0.00 H new ATOM 837 N ASP A 59 6.537 -0.816 15.241 1.00 0.00 N ATOM 838 CA ASP A 59 6.713 0.554 14.771 1.00 0.00 C ATOM 839 C ASP A 59 5.392 1.315 14.809 1.00 0.00 C ATOM 840 O ASP A 59 5.363 2.517 15.071 1.00 0.00 O ATOM 841 CB ASP A 59 7.279 0.559 13.350 1.00 0.00 C ATOM 842 CG ASP A 59 6.572 -0.427 12.441 1.00 0.00 C ATOM 843 OD1 ASP A 59 5.335 -0.326 12.305 1.00 0.00 O ATOM 844 OD2 ASP A 59 7.255 -1.302 11.868 1.00 0.00 O ATOM 0 H ASP A 59 6.927 -1.528 14.623 1.00 0.00 H new ATOM 0 HA ASP A 59 7.418 1.053 15.436 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.192 1.562 12.931 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.342 0.319 13.385 1.00 0.00 H new ATOM 849 N GLY A 60 4.298 0.607 14.544 1.00 0.00 N ATOM 850 CA GLY A 60 2.989 1.232 14.551 1.00 0.00 C ATOM 851 C GLY A 60 2.561 1.697 13.173 1.00 0.00 C ATOM 852 O GLY A 60 1.956 2.760 13.029 1.00 0.00 O ATOM 0 H GLY A 60 4.296 -0.389 14.324 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.254 0.525 14.937 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.000 2.084 15.231 1.00 0.00 H new ATOM 856 N PHE A 61 2.876 0.901 12.157 1.00 0.00 N ATOM 857 CA PHE A 61 2.522 1.238 10.783 1.00 0.00 C ATOM 858 C PHE A 61 1.510 0.244 10.223 1.00 0.00 C ATOM 859 O PHE A 61 1.036 -0.643 10.933 1.00 0.00 O ATOM 860 CB PHE A 61 3.773 1.261 9.903 1.00 0.00 C ATOM 861 CG PHE A 61 4.474 2.589 9.892 1.00 0.00 C ATOM 862 CD1 PHE A 61 5.159 3.035 11.011 1.00 0.00 C ATOM 863 CD2 PHE A 61 4.448 3.392 8.763 1.00 0.00 C ATOM 864 CE1 PHE A 61 5.806 4.257 11.004 1.00 0.00 C ATOM 865 CE2 PHE A 61 5.093 4.614 8.750 1.00 0.00 C ATOM 866 CZ PHE A 61 5.772 5.048 9.872 1.00 0.00 C ATOM 0 H PHE A 61 3.376 0.018 12.259 1.00 0.00 H new ATOM 0 HA PHE A 61 2.069 2.229 10.783 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.467 0.496 10.252 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.495 0.998 8.883 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.188 2.421 11.899 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.918 3.059 7.883 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.337 4.593 11.882 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.066 5.230 7.863 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.275 6.004 9.864 1.00 0.00 H new ATOM 876 N TYR A 62 1.183 0.399 8.945 1.00 0.00 N ATOM 877 CA TYR A 62 0.225 -0.483 8.288 1.00 0.00 C ATOM 878 C TYR A 62 0.760 -0.962 6.942 1.00 0.00 C ATOM 879 O TYR A 62 0.676 -0.252 5.940 1.00 0.00 O ATOM 880 CB TYR A 62 -1.111 0.236 8.093 1.00 0.00 C ATOM 881 CG TYR A 62 -2.060 0.076 9.258 1.00 0.00 C ATOM 882 CD1 TYR A 62 -2.285 -1.169 9.832 1.00 0.00 C ATOM 883 CD2 TYR A 62 -2.733 1.171 9.786 1.00 0.00 C ATOM 884 CE1 TYR A 62 -3.152 -1.320 10.896 1.00 0.00 C ATOM 885 CE2 TYR A 62 -3.601 1.030 10.852 1.00 0.00 C ATOM 886 CZ TYR A 62 -3.808 -0.217 11.403 1.00 0.00 C ATOM 887 OH TYR A 62 -4.672 -0.363 12.464 1.00 0.00 O ATOM 0 H TYR A 62 1.567 1.127 8.343 1.00 0.00 H new ATOM 0 HA TYR A 62 0.072 -1.352 8.927 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.923 1.297 7.932 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.590 -0.143 7.190 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.772 -2.035 9.439 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.575 2.149 9.356 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.316 -2.296 11.329 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.115 1.892 11.251 1.00 0.00 H new ATOM 0 HH TYR A 62 -5.050 0.510 12.700 1.00 0.00 H new ATOM 897 N ARG A 63 1.308 -2.173 6.927 1.00 0.00 N ATOM 898 CA ARG A 63 1.857 -2.748 5.705 1.00 0.00 C ATOM 899 C ARG A 63 0.764 -2.945 4.659 1.00 0.00 C ATOM 900 O ARG A 63 0.072 -3.962 4.653 1.00 0.00 O ATOM 901 CB ARG A 63 2.537 -4.085 6.006 1.00 0.00 C ATOM 902 CG ARG A 63 3.605 -4.467 4.995 1.00 0.00 C ATOM 903 CD ARG A 63 4.021 -5.921 5.146 1.00 0.00 C ATOM 904 NE ARG A 63 5.187 -6.245 4.328 1.00 0.00 N ATOM 905 CZ ARG A 63 6.013 -7.251 4.592 1.00 0.00 C ATOM 906 NH1 ARG A 63 5.802 -8.028 5.646 1.00 0.00 N ATOM 907 NH2 ARG A 63 7.053 -7.482 3.801 1.00 0.00 N ATOM 0 H ARG A 63 1.383 -2.775 7.747 1.00 0.00 H new ATOM 0 HA ARG A 63 2.597 -2.054 5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.987 -4.039 6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.780 -4.869 6.036 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.229 -4.298 3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.475 -3.823 5.123 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.244 -6.127 6.193 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.190 -6.567 4.864 1.00 0.00 H new ATOM 0 HE ARG A 63 5.377 -5.667 3.509 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.004 -7.854 6.256 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.438 -8.800 5.846 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.219 -6.887 2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.687 -8.255 4.005 1.00 0.00 H new ATOM 921 N GLY A 64 0.615 -1.964 3.774 1.00 0.00 N ATOM 922 CA GLY A 64 -0.395 -2.049 2.736 1.00 0.00 C ATOM 923 C GLY A 64 0.202 -2.022 1.342 1.00 0.00 C ATOM 924 O GLY A 64 1.369 -1.673 1.167 1.00 0.00 O ATOM 0 H GLY A 64 1.176 -1.112 3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.968 -2.967 2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.094 -1.220 2.845 1.00 0.00 H new ATOM 928 N GLU A 65 -0.601 -2.393 0.349 1.00 0.00 N ATOM 929 CA GLU A 65 -0.143 -2.412 -1.035 1.00 0.00 C ATOM 930 C GLU A 65 -0.951 -1.439 -1.889 1.00 0.00 C ATOM 931 O GLU A 65 -2.176 -1.371 -1.783 1.00 0.00 O ATOM 932 CB GLU A 65 -0.251 -3.825 -1.612 1.00 0.00 C ATOM 933 CG GLU A 65 0.260 -3.941 -3.038 1.00 0.00 C ATOM 934 CD GLU A 65 -0.116 -5.259 -3.687 1.00 0.00 C ATOM 935 OE1 GLU A 65 -1.315 -5.608 -3.667 1.00 0.00 O ATOM 936 OE2 GLU A 65 0.787 -5.940 -4.214 1.00 0.00 O ATOM 0 H GLU A 65 -1.570 -2.684 0.477 1.00 0.00 H new ATOM 0 HA GLU A 65 0.901 -2.100 -1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.309 -4.511 -0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.293 -4.142 -1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.142 -3.120 -3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.345 -3.835 -3.041 1.00 0.00 H new ATOM 943 N THR A 66 -0.257 -0.686 -2.736 1.00 0.00 N ATOM 944 CA THR A 66 -0.908 0.284 -3.607 1.00 0.00 C ATOM 945 C THR A 66 -0.115 0.488 -4.893 1.00 0.00 C ATOM 946 O THR A 66 1.114 0.405 -4.895 1.00 0.00 O ATOM 947 CB THR A 66 -1.082 1.643 -2.903 1.00 0.00 C ATOM 948 OG1 THR A 66 -1.401 2.655 -3.865 1.00 0.00 O ATOM 949 CG2 THR A 66 0.183 2.029 -2.152 1.00 0.00 C ATOM 0 H THR A 66 0.757 -0.729 -2.837 1.00 0.00 H new ATOM 0 HA THR A 66 -1.891 -0.119 -3.850 1.00 0.00 H new ATOM 0 HB THR A 66 -1.898 1.555 -2.186 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.323 2.957 -3.728 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.036 2.992 -1.663 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.406 1.271 -1.401 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.015 2.101 -2.853 1.00 0.00 H new ATOM 957 N CYS A 67 -0.824 0.757 -5.984 1.00 0.00 N ATOM 958 CA CYS A 67 -0.185 0.973 -7.277 1.00 0.00 C ATOM 959 C CYS A 67 0.909 -0.060 -7.522 1.00 0.00 C ATOM 960 O CYS A 67 2.014 0.279 -7.946 1.00 0.00 O ATOM 961 CB CYS A 67 0.404 2.383 -7.348 1.00 0.00 C ATOM 962 SG CYS A 67 -0.740 3.628 -7.990 1.00 0.00 S ATOM 0 H CYS A 67 -1.841 0.831 -5.999 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.943 0.863 -8.052 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.727 2.681 -6.351 1.00 0.00 H new ATOM 0 HB3 CYS A 67 1.293 2.363 -7.978 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.153 4.788 -8.010 1.00 0.00 H new ATOM 968 N ALA A 68 0.595 -1.323 -7.252 1.00 0.00 N ATOM 969 CA ALA A 68 1.551 -2.406 -7.444 1.00 0.00 C ATOM 970 C ALA A 68 2.821 -2.168 -6.634 1.00 0.00 C ATOM 971 O ALA A 68 3.927 -2.442 -7.101 1.00 0.00 O ATOM 972 CB ALA A 68 1.885 -2.560 -8.920 1.00 0.00 C ATOM 0 H ALA A 68 -0.315 -1.621 -6.899 1.00 0.00 H new ATOM 0 HA ALA A 68 1.093 -3.329 -7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.600 -3.373 -9.048 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.976 -2.785 -9.477 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.319 -1.632 -9.294 1.00 0.00 H new ATOM 978 N ARG A 69 2.655 -1.655 -5.419 1.00 0.00 N ATOM 979 CA ARG A 69 3.789 -1.378 -4.546 1.00 0.00 C ATOM 980 C ARG A 69 3.503 -1.841 -3.120 1.00 0.00 C ATOM 981 O ARG A 69 2.347 -1.931 -2.705 1.00 0.00 O ATOM 982 CB ARG A 69 4.112 0.117 -4.553 1.00 0.00 C ATOM 983 CG ARG A 69 5.500 0.443 -4.027 1.00 0.00 C ATOM 984 CD ARG A 69 5.998 1.778 -4.558 1.00 0.00 C ATOM 985 NE ARG A 69 4.985 2.825 -4.444 1.00 0.00 N ATOM 986 CZ ARG A 69 5.256 4.122 -4.531 1.00 0.00 C ATOM 987 NH1 ARG A 69 6.501 4.531 -4.734 1.00 0.00 N ATOM 988 NH2 ARG A 69 4.281 5.014 -4.416 1.00 0.00 N ATOM 0 H ARG A 69 1.747 -1.423 -5.017 1.00 0.00 H new ATOM 0 HA ARG A 69 4.650 -1.930 -4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.021 0.495 -5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.372 0.643 -3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.481 0.468 -2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.194 -0.346 -4.315 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.891 2.076 -4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.289 1.667 -5.603 1.00 0.00 H new ATOM 0 HE ARG A 69 4.017 2.544 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.254 3.849 -4.824 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.706 5.528 -4.800 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.322 4.704 -4.261 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.490 6.010 -4.483 1.00 0.00 H new ATOM 1002 N LEU A 70 4.563 -2.134 -2.375 1.00 0.00 N ATOM 1003 CA LEU A 70 4.426 -2.589 -0.996 1.00 0.00 C ATOM 1004 C LEU A 70 5.333 -1.788 -0.066 1.00 0.00 C ATOM 1005 O LEU A 70 6.422 -1.368 -0.455 1.00 0.00 O ATOM 1006 CB LEU A 70 4.760 -4.078 -0.894 1.00 0.00 C ATOM 1007 CG LEU A 70 4.023 -4.858 0.195 1.00 0.00 C ATOM 1008 CD1 LEU A 70 2.559 -4.449 0.246 1.00 0.00 C ATOM 1009 CD2 LEU A 70 4.151 -6.356 -0.042 1.00 0.00 C ATOM 0 H LEU A 70 5.526 -2.065 -2.703 1.00 0.00 H new ATOM 0 HA LEU A 70 3.392 -2.433 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.546 -4.545 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.832 -4.179 -0.723 1.00 0.00 H new ATOM 0 HG LEU A 70 4.480 -4.622 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.050 -5.014 1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.486 -3.383 0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.090 -4.656 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.620 -6.895 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.721 -6.609 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.204 -6.638 -0.028 1.00 0.00 H new ATOM 1021 N GLY A 71 4.875 -1.581 1.165 1.00 0.00 N ATOM 1022 CA GLY A 71 5.657 -0.833 2.131 1.00 0.00 C ATOM 1023 C GLY A 71 4.916 -0.618 3.436 1.00 0.00 C ATOM 1024 O GLY A 71 4.027 -1.395 3.789 1.00 0.00 O ATOM 0 H GLY A 71 3.976 -1.918 1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.588 -1.364 2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.925 0.134 1.706 1.00 0.00 H new ATOM 1028 N LEU A 72 5.282 0.437 4.155 1.00 0.00 N ATOM 1029 CA LEU A 72 4.646 0.751 5.430 1.00 0.00 C ATOM 1030 C LEU A 72 3.848 2.048 5.336 1.00 0.00 C ATOM 1031 O LEU A 72 4.266 2.998 4.673 1.00 0.00 O ATOM 1032 CB LEU A 72 5.699 0.866 6.533 1.00 0.00 C ATOM 1033 CG LEU A 72 6.536 -0.387 6.795 1.00 0.00 C ATOM 1034 CD1 LEU A 72 7.643 -0.090 7.795 1.00 0.00 C ATOM 1035 CD2 LEU A 72 5.655 -1.522 7.295 1.00 0.00 C ATOM 0 H LEU A 72 6.015 1.089 3.877 1.00 0.00 H new ATOM 0 HA LEU A 72 3.959 -0.060 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.374 1.683 6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.197 1.143 7.460 1.00 0.00 H new ATOM 0 HG LEU A 72 6.995 -0.696 5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.228 -0.993 7.969 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.291 0.692 7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.204 0.245 8.735 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.267 -2.405 7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.167 -1.222 8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.898 -1.753 6.545 1.00 0.00 H new ATOM 1047 N ILE A 73 2.701 2.080 6.005 1.00 0.00 N ATOM 1048 CA ILE A 73 1.847 3.262 5.999 1.00 0.00 C ATOM 1049 C ILE A 73 1.565 3.744 7.418 1.00 0.00 C ATOM 1050 O ILE A 73 1.195 2.970 8.301 1.00 0.00 O ATOM 1051 CB ILE A 73 0.509 2.986 5.288 1.00 0.00 C ATOM 1052 CG1 ILE A 73 0.753 2.597 3.828 1.00 0.00 C ATOM 1053 CG2 ILE A 73 -0.397 4.205 5.372 1.00 0.00 C ATOM 1054 CD1 ILE A 73 0.940 1.110 3.622 1.00 0.00 C ATOM 0 H ILE A 73 2.341 1.302 6.558 1.00 0.00 H new ATOM 0 HA ILE A 73 2.386 4.037 5.455 1.00 0.00 H new ATOM 0 HB ILE A 73 0.014 2.154 5.789 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.089 2.936 3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.637 3.120 3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.339 3.994 4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.593 4.441 6.418 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.091 5.054 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.108 0.908 2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.800 0.768 4.198 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.047 0.581 3.955 1.00 0.00 H new ATOM 1066 N PRO A 74 1.742 5.054 7.644 1.00 0.00 N ATOM 1067 CA PRO A 74 1.511 5.670 8.954 1.00 0.00 C ATOM 1068 C PRO A 74 0.032 5.706 9.324 1.00 0.00 C ATOM 1069 O PRO A 74 -0.758 6.412 8.696 1.00 0.00 O ATOM 1070 CB PRO A 74 2.053 7.090 8.779 1.00 0.00 C ATOM 1071 CG PRO A 74 1.952 7.357 7.317 1.00 0.00 C ATOM 1072 CD PRO A 74 2.182 6.035 6.638 1.00 0.00 C ATOM 0 HA PRO A 74 1.992 5.112 9.757 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.470 7.810 9.354 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.084 7.166 9.125 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.973 7.762 7.061 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.693 8.092 7.002 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.606 5.951 5.716 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.230 5.896 6.373 1.00 0.00 H new ATOM 1080 N CYS A 75 -0.336 4.942 10.347 1.00 0.00 N ATOM 1081 CA CYS A 75 -1.721 4.886 10.800 1.00 0.00 C ATOM 1082 C CYS A 75 -2.192 6.256 11.278 1.00 0.00 C ATOM 1083 O CYS A 75 -3.375 6.457 11.547 1.00 0.00 O ATOM 1084 CB CYS A 75 -1.871 3.861 11.925 1.00 0.00 C ATOM 1085 SG CYS A 75 -3.471 3.915 12.766 1.00 0.00 S ATOM 0 H CYS A 75 0.306 4.353 10.878 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.341 4.582 9.957 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.722 2.862 11.514 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.082 4.025 12.659 1.00 0.00 H new ATOM 0 HG CYS A 75 -4.075 5.030 12.478 1.00 0.00 H new ATOM 1091 N ASN A 76 -1.256 7.194 11.383 1.00 0.00 N ATOM 1092 CA ASN A 76 -1.575 8.545 11.831 1.00 0.00 C ATOM 1093 C ASN A 76 -2.098 9.392 10.675 1.00 0.00 C ATOM 1094 O ASN A 76 -2.851 10.343 10.881 1.00 0.00 O ATOM 1095 CB ASN A 76 -0.340 9.206 12.445 1.00 0.00 C ATOM 1096 CG ASN A 76 -0.083 8.744 13.867 1.00 0.00 C ATOM 1097 OD1 ASN A 76 0.773 7.893 14.109 1.00 0.00 O ATOM 1098 ND2 ASN A 76 -0.825 9.304 14.814 1.00 0.00 N ATOM 0 H ASN A 76 -0.271 7.044 11.164 1.00 0.00 H new ATOM 0 HA ASN A 76 -2.355 8.475 12.589 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.532 8.982 11.830 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.468 10.288 12.435 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.697 9.033 15.789 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.523 10.006 14.567 1.00 0.00 H new ATOM 1105 N MET A 77 -1.692 9.040 9.460 1.00 0.00 N ATOM 1106 CA MET A 77 -2.121 9.767 8.271 1.00 0.00 C ATOM 1107 C MET A 77 -3.354 9.118 7.652 1.00 0.00 C ATOM 1108 O MET A 77 -4.427 9.719 7.604 1.00 0.00 O ATOM 1109 CB MET A 77 -0.988 9.820 7.243 1.00 0.00 C ATOM 1110 CG MET A 77 0.361 10.180 7.844 1.00 0.00 C ATOM 1111 SD MET A 77 0.601 11.960 7.999 1.00 0.00 S ATOM 1112 CE MET A 77 1.180 12.367 6.353 1.00 0.00 C ATOM 0 H MET A 77 -1.067 8.256 9.273 1.00 0.00 H new ATOM 0 HA MET A 77 -2.379 10.783 8.570 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.910 8.851 6.750 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.240 10.550 6.474 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.451 9.718 8.827 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.154 9.763 7.223 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.373 13.438 6.290 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.099 11.820 6.145 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.420 12.092 5.622 1.00 0.00 H new ATOM 1122 N VAL A 78 -3.195 7.886 7.178 1.00 0.00 N ATOM 1123 CA VAL A 78 -4.296 7.155 6.562 1.00 0.00 C ATOM 1124 C VAL A 78 -5.435 6.941 7.552 1.00 0.00 C ATOM 1125 O VAL A 78 -5.261 7.107 8.760 1.00 0.00 O ATOM 1126 CB VAL A 78 -3.831 5.787 6.027 1.00 0.00 C ATOM 1127 CG1 VAL A 78 -3.026 5.959 4.749 1.00 0.00 C ATOM 1128 CG2 VAL A 78 -3.021 5.050 7.083 1.00 0.00 C ATOM 0 H VAL A 78 -2.314 7.373 7.209 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.652 7.761 5.729 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.712 5.188 5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.706 4.982 4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.644 6.443 3.992 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.150 6.576 4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.701 4.086 6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.146 5.642 7.349 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.636 4.893 7.969 1.00 0.00 H new ATOM 1138 N SER A 79 -6.601 6.570 7.033 1.00 0.00 N ATOM 1139 CA SER A 79 -7.771 6.337 7.872 1.00 0.00 C ATOM 1140 C SER A 79 -8.606 5.180 7.329 1.00 0.00 C ATOM 1141 O SER A 79 -8.646 4.943 6.123 1.00 0.00 O ATOM 1142 CB SER A 79 -8.626 7.603 7.955 1.00 0.00 C ATOM 1143 OG SER A 79 -9.558 7.520 9.020 1.00 0.00 O ATOM 0 H SER A 79 -6.761 6.424 6.036 1.00 0.00 H new ATOM 0 HA SER A 79 -7.425 6.075 8.872 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.983 8.471 8.097 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.156 7.750 7.014 1.00 0.00 H new ATOM 0 HG SER A 79 -10.091 8.342 9.053 1.00 0.00 H new ATOM 1149 N GLU A 80 -9.270 4.464 8.231 1.00 0.00 N ATOM 1150 CA GLU A 80 -10.103 3.332 7.843 1.00 0.00 C ATOM 1151 C GLU A 80 -11.392 3.807 7.179 1.00 0.00 C ATOM 1152 O GLU A 80 -12.005 4.782 7.616 1.00 0.00 O ATOM 1153 CB GLU A 80 -10.433 2.471 9.065 1.00 0.00 C ATOM 1154 CG GLU A 80 -11.465 1.391 8.787 1.00 0.00 C ATOM 1155 CD GLU A 80 -11.913 0.675 10.046 1.00 0.00 C ATOM 1156 OE1 GLU A 80 -11.248 0.840 11.090 1.00 0.00 O ATOM 1157 OE2 GLU A 80 -12.928 -0.050 9.988 1.00 0.00 O ATOM 0 H GLU A 80 -9.247 4.648 9.234 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.544 2.732 7.124 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.518 2.003 9.427 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.799 3.115 9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.331 1.838 8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.047 0.665 8.090 1.00 0.00 H new ATOM 1164 N ILE A 81 -11.797 3.112 6.122 1.00 0.00 N ATOM 1165 CA ILE A 81 -13.013 3.463 5.398 1.00 0.00 C ATOM 1166 C ILE A 81 -14.225 2.740 5.976 1.00 0.00 C ATOM 1167 O ILE A 81 -14.101 1.649 6.533 1.00 0.00 O ATOM 1168 CB ILE A 81 -12.894 3.123 3.900 1.00 0.00 C ATOM 1169 CG1 ILE A 81 -11.623 3.741 3.314 1.00 0.00 C ATOM 1170 CG2 ILE A 81 -14.122 3.611 3.147 1.00 0.00 C ATOM 1171 CD1 ILE A 81 -11.326 3.289 1.902 1.00 0.00 C ATOM 0 H ILE A 81 -11.301 2.303 5.748 1.00 0.00 H new ATOM 0 HA ILE A 81 -13.147 4.539 5.509 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.832 2.040 3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.718 4.827 3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.777 3.487 3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.023 3.363 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -15.012 3.128 3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.212 4.691 3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -10.411 3.767 1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -11.199 2.207 1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -12.154 3.567 1.249 1.00 0.00 H new ATOM 1183 N GLN A 82 -15.394 3.356 5.840 1.00 0.00 N ATOM 1184 CA GLN A 82 -16.629 2.770 6.348 1.00 0.00 C ATOM 1185 C GLN A 82 -16.718 1.291 5.989 1.00 0.00 C ATOM 1186 O GLN A 82 -16.303 0.879 4.906 1.00 0.00 O ATOM 1187 CB GLN A 82 -17.841 3.517 5.788 1.00 0.00 C ATOM 1188 CG GLN A 82 -18.227 4.744 6.599 1.00 0.00 C ATOM 1189 CD GLN A 82 -18.320 4.457 8.084 1.00 0.00 C ATOM 1190 OE1 GLN A 82 -17.398 4.755 8.845 1.00 0.00 O ATOM 1191 NE2 GLN A 82 -19.436 3.875 8.507 1.00 0.00 N ATOM 0 H GLN A 82 -15.512 4.260 5.383 1.00 0.00 H new ATOM 0 HA GLN A 82 -16.625 2.861 7.434 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -17.628 3.821 4.763 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -18.691 2.836 5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.493 5.532 6.431 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -19.186 5.121 6.245 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -20.175 3.645 7.842 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -19.554 3.658 9.497 1.00 0.00 H new ATOM 1200 N ALA A 83 -17.262 0.496 6.905 1.00 0.00 N ATOM 1201 CA ALA A 83 -17.407 -0.937 6.684 1.00 0.00 C ATOM 1202 C ALA A 83 -18.878 -1.337 6.619 1.00 0.00 C ATOM 1203 O ALA A 83 -19.691 -0.878 7.421 1.00 0.00 O ATOM 1204 CB ALA A 83 -16.695 -1.715 7.780 1.00 0.00 C ATOM 0 H ALA A 83 -17.610 0.821 7.807 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.949 -1.179 5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -16.812 -2.784 7.602 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.635 -1.460 7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.127 -1.459 8.747 1.00 0.00 H new ATOM 1210 N ASP A 84 -19.211 -2.193 5.660 1.00 0.00 N ATOM 1211 CA ASP A 84 -20.584 -2.655 5.491 1.00 0.00 C ATOM 1212 C ASP A 84 -20.879 -3.834 6.414 1.00 0.00 C ATOM 1213 O ASP A 84 -21.915 -3.871 7.078 1.00 0.00 O ATOM 1214 CB ASP A 84 -20.835 -3.055 4.037 1.00 0.00 C ATOM 1215 CG ASP A 84 -19.655 -3.785 3.425 1.00 0.00 C ATOM 1216 OD1 ASP A 84 -18.719 -3.107 2.954 1.00 0.00 O ATOM 1217 OD2 ASP A 84 -19.669 -5.034 3.418 1.00 0.00 O ATOM 0 H ASP A 84 -18.549 -2.581 4.988 1.00 0.00 H new ATOM 0 HA ASP A 84 -21.252 -1.835 5.754 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -21.718 -3.691 3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -21.051 -2.162 3.450 1.00 0.00 H new ATOM 1222 N ASP A 85 -19.962 -4.794 6.449 1.00 0.00 N ATOM 1223 CA ASP A 85 -20.123 -5.975 7.290 1.00 0.00 C ATOM 1224 C ASP A 85 -20.388 -5.578 8.739 1.00 0.00 C ATOM 1225 O ASP A 85 -20.339 -4.399 9.088 1.00 0.00 O ATOM 1226 CB ASP A 85 -18.877 -6.858 7.210 1.00 0.00 C ATOM 1227 CG ASP A 85 -17.649 -6.180 7.786 1.00 0.00 C ATOM 1228 OD1 ASP A 85 -17.026 -5.371 7.067 1.00 0.00 O ATOM 1229 OD2 ASP A 85 -17.310 -6.460 8.955 1.00 0.00 O ATOM 0 H ASP A 85 -19.099 -4.778 5.905 1.00 0.00 H new ATOM 0 HA ASP A 85 -20.982 -6.538 6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -19.060 -7.789 7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -18.688 -7.122 6.169 1.00 0.00 H new ATOM 1234 N GLU A 86 -20.670 -6.570 9.577 1.00 0.00 N ATOM 1235 CA GLU A 86 -20.944 -6.323 10.988 1.00 0.00 C ATOM 1236 C GLU A 86 -19.771 -6.766 11.856 1.00 0.00 C ATOM 1237 O GLU A 86 -19.597 -7.955 12.122 1.00 0.00 O ATOM 1238 CB GLU A 86 -22.217 -7.056 11.418 1.00 0.00 C ATOM 1239 CG GLU A 86 -23.443 -6.673 10.607 1.00 0.00 C ATOM 1240 CD GLU A 86 -24.740 -7.042 11.301 1.00 0.00 C ATOM 1241 OE1 GLU A 86 -24.782 -6.985 12.548 1.00 0.00 O ATOM 1242 OE2 GLU A 86 -25.713 -7.386 10.598 1.00 0.00 O ATOM 0 H GLU A 86 -20.715 -7.552 9.304 1.00 0.00 H new ATOM 0 HA GLU A 86 -21.087 -5.251 11.122 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -22.055 -8.130 11.330 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -22.408 -6.847 12.471 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -23.429 -5.599 10.419 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -23.401 -7.167 9.636 1.00 0.00 H new ATOM 1249 N GLU A 87 -18.969 -5.801 12.295 1.00 0.00 N ATOM 1250 CA GLU A 87 -17.811 -6.092 13.132 1.00 0.00 C ATOM 1251 C GLU A 87 -18.246 -6.576 14.512 1.00 0.00 C ATOM 1252 O GLU A 87 -18.903 -5.851 15.257 1.00 0.00 O ATOM 1253 CB GLU A 87 -16.928 -4.850 13.270 1.00 0.00 C ATOM 1254 CG GLU A 87 -15.526 -5.152 13.770 1.00 0.00 C ATOM 1255 CD GLU A 87 -14.555 -5.449 12.643 1.00 0.00 C ATOM 1256 OE1 GLU A 87 -15.009 -5.910 11.575 1.00 0.00 O ATOM 1257 OE2 GLU A 87 -13.342 -5.218 12.830 1.00 0.00 O ATOM 0 H GLU A 87 -19.100 -4.811 12.085 1.00 0.00 H new ATOM 0 HA GLU A 87 -17.237 -6.885 12.652 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.860 -4.354 12.302 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -17.406 -4.149 13.955 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -15.159 -4.303 14.346 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.562 -6.005 14.448 1.00 0.00 H new ATOM 1264 N MET A 88 -17.873 -7.808 14.845 1.00 0.00 N ATOM 1265 CA MET A 88 -18.224 -8.390 16.136 1.00 0.00 C ATOM 1266 C MET A 88 -18.061 -7.366 17.255 1.00 0.00 C ATOM 1267 O MET A 88 -17.157 -6.532 17.219 1.00 0.00 O ATOM 1268 CB MET A 88 -17.354 -9.616 16.419 1.00 0.00 C ATOM 1269 CG MET A 88 -15.884 -9.286 16.618 1.00 0.00 C ATOM 1270 SD MET A 88 -14.960 -10.648 17.354 1.00 0.00 S ATOM 1271 CE MET A 88 -15.826 -10.844 18.910 1.00 0.00 C ATOM 0 H MET A 88 -17.328 -8.422 14.239 1.00 0.00 H new ATOM 0 HA MET A 88 -19.269 -8.697 16.098 1.00 0.00 H new ATOM 0 HB2 MET A 88 -17.729 -10.119 17.310 1.00 0.00 H new ATOM 0 HB3 MET A 88 -17.451 -10.319 15.592 1.00 0.00 H new ATOM 0 HG2 MET A 88 -15.440 -9.029 15.656 1.00 0.00 H new ATOM 0 HG3 MET A 88 -15.796 -8.406 17.255 1.00 0.00 H new ATOM 0 HE1 MET A 88 -15.153 -11.280 19.648 1.00 0.00 H new ATOM 0 HE2 MET A 88 -16.168 -9.870 19.261 1.00 0.00 H new ATOM 0 HE3 MET A 88 -16.684 -11.501 18.769 1.00 0.00 H new ATOM 1281 N MET A 89 -18.941 -7.437 18.248 1.00 0.00 N ATOM 1282 CA MET A 89 -18.894 -6.517 19.378 1.00 0.00 C ATOM 1283 C MET A 89 -17.453 -6.251 19.802 1.00 0.00 C ATOM 1284 O MET A 89 -16.700 -7.180 20.095 1.00 0.00 O ATOM 1285 CB MET A 89 -19.688 -7.082 20.557 1.00 0.00 C ATOM 1286 CG MET A 89 -21.189 -7.113 20.319 1.00 0.00 C ATOM 1287 SD MET A 89 -21.901 -5.464 20.161 1.00 0.00 S ATOM 1288 CE MET A 89 -21.791 -5.216 18.390 1.00 0.00 C ATOM 0 H MET A 89 -19.695 -8.122 18.293 1.00 0.00 H new ATOM 0 HA MET A 89 -19.343 -5.574 19.066 1.00 0.00 H new ATOM 0 HB2 MET A 89 -19.341 -8.094 20.767 1.00 0.00 H new ATOM 0 HB3 MET A 89 -19.481 -6.483 21.444 1.00 0.00 H new ATOM 0 HG2 MET A 89 -21.398 -7.683 19.414 1.00 0.00 H new ATOM 0 HG3 MET A 89 -21.673 -7.636 21.144 1.00 0.00 H new ATOM 0 HE1 MET A 89 -21.233 -4.303 18.184 1.00 0.00 H new ATOM 0 HE2 MET A 89 -21.279 -6.064 17.935 1.00 0.00 H new ATOM 0 HE3 MET A 89 -22.794 -5.130 17.972 1.00 0.00 H new ATOM 1298 N ASP A 90 -17.075 -4.978 19.832 1.00 0.00 N ATOM 1299 CA ASP A 90 -15.724 -4.590 20.221 1.00 0.00 C ATOM 1300 C ASP A 90 -15.460 -4.932 21.684 1.00 0.00 C ATOM 1301 O ASP A 90 -14.411 -5.477 22.023 1.00 0.00 O ATOM 1302 CB ASP A 90 -15.514 -3.093 19.988 1.00 0.00 C ATOM 1303 CG ASP A 90 -16.637 -2.254 20.565 1.00 0.00 C ATOM 1304 OD1 ASP A 90 -16.757 -2.197 21.807 1.00 0.00 O ATOM 1305 OD2 ASP A 90 -17.396 -1.654 19.775 1.00 0.00 O ATOM 0 H ASP A 90 -17.685 -4.197 19.592 1.00 0.00 H new ATOM 0 HA ASP A 90 -15.020 -5.148 19.604 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.569 -2.788 20.437 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -15.435 -2.902 18.918 1.00 0.00 H new ATOM 1310 N GLN A 91 -16.419 -4.606 22.545 1.00 0.00 N ATOM 1311 CA GLN A 91 -16.289 -4.878 23.971 1.00 0.00 C ATOM 1312 C GLN A 91 -15.993 -6.353 24.220 1.00 0.00 C ATOM 1313 O GLN A 91 -16.469 -7.223 23.491 1.00 0.00 O ATOM 1314 CB GLN A 91 -17.566 -4.471 24.708 1.00 0.00 C ATOM 1315 CG GLN A 91 -17.495 -4.682 26.212 1.00 0.00 C ATOM 1316 CD GLN A 91 -18.747 -4.214 26.927 1.00 0.00 C ATOM 1317 OE1 GLN A 91 -19.860 -4.609 26.578 1.00 0.00 O ATOM 1318 NE2 GLN A 91 -18.571 -3.368 27.936 1.00 0.00 N ATOM 0 H GLN A 91 -17.294 -4.153 22.280 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.454 -4.290 24.352 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -17.772 -3.420 24.506 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -18.404 -5.043 24.309 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -17.337 -5.740 26.419 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -16.633 -4.147 26.610 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -17.630 -3.067 28.191 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -19.376 -3.019 28.456 1.00 0.00 H new ATOM 1327 N SER A 92 -15.203 -6.627 25.253 1.00 0.00 N ATOM 1328 CA SER A 92 -14.839 -7.997 25.596 1.00 0.00 C ATOM 1329 C SER A 92 -15.852 -8.602 26.564 1.00 0.00 C ATOM 1330 O SER A 92 -16.509 -7.887 27.319 1.00 0.00 O ATOM 1331 CB SER A 92 -13.440 -8.037 26.212 1.00 0.00 C ATOM 1332 OG SER A 92 -13.096 -9.353 26.611 1.00 0.00 O ATOM 0 H SER A 92 -14.802 -5.918 25.867 1.00 0.00 H new ATOM 0 HA SER A 92 -14.841 -8.587 24.680 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.711 -7.670 25.490 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.399 -7.370 27.073 1.00 0.00 H new ATOM 0 HG SER A 92 -12.197 -9.352 27.000 1.00 0.00 H new ATOM 1338 N GLY A 93 -15.971 -9.926 26.535 1.00 0.00 N ATOM 1339 CA GLY A 93 -16.904 -10.606 27.414 1.00 0.00 C ATOM 1340 C GLY A 93 -16.311 -10.892 28.780 1.00 0.00 C ATOM 1341 O GLY A 93 -15.323 -10.284 29.191 1.00 0.00 O ATOM 0 H GLY A 93 -15.438 -10.539 25.919 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -17.799 -9.995 27.531 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -17.215 -11.543 26.953 1.00 0.00 H new ATOM 1345 N PRO A 94 -16.923 -11.838 29.508 1.00 0.00 N ATOM 1346 CA PRO A 94 -16.467 -12.224 30.847 1.00 0.00 C ATOM 1347 C PRO A 94 -15.138 -12.971 30.814 1.00 0.00 C ATOM 1348 O PRO A 94 -14.614 -13.370 31.853 1.00 0.00 O ATOM 1349 CB PRO A 94 -17.584 -13.142 31.350 1.00 0.00 C ATOM 1350 CG PRO A 94 -18.210 -13.690 30.115 1.00 0.00 C ATOM 1351 CD PRO A 94 -18.106 -12.603 29.081 1.00 0.00 C ATOM 0 HA PRO A 94 -16.290 -11.357 31.483 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -17.188 -13.939 31.980 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -18.309 -12.592 31.950 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -17.697 -14.593 29.785 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -19.251 -13.962 30.292 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -17.979 -13.013 28.079 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -19.001 -11.981 29.060 1.00 0.00 H new ATOM 1359 N SER A 95 -14.598 -13.156 29.613 1.00 0.00 N ATOM 1360 CA SER A 95 -13.331 -13.858 29.445 1.00 0.00 C ATOM 1361 C SER A 95 -12.156 -12.892 29.557 1.00 0.00 C ATOM 1362 O SER A 95 -12.316 -11.681 29.403 1.00 0.00 O ATOM 1363 CB SER A 95 -13.294 -14.570 28.091 1.00 0.00 C ATOM 1364 OG SER A 95 -13.305 -13.637 27.024 1.00 0.00 O ATOM 0 H SER A 95 -15.018 -12.830 28.743 1.00 0.00 H new ATOM 0 HA SER A 95 -13.246 -14.599 30.240 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.400 -15.190 28.027 1.00 0.00 H new ATOM 0 HB3 SER A 95 -14.152 -15.237 28.004 1.00 0.00 H new ATOM 0 HG SER A 95 -13.279 -14.117 26.170 1.00 0.00 H new ATOM 1370 N SER A 96 -10.974 -13.437 29.826 1.00 0.00 N ATOM 1371 CA SER A 96 -9.771 -12.624 29.962 1.00 0.00 C ATOM 1372 C SER A 96 -8.918 -12.700 28.700 1.00 0.00 C ATOM 1373 O SER A 96 -8.383 -11.693 28.237 1.00 0.00 O ATOM 1374 CB SER A 96 -8.954 -13.084 31.172 1.00 0.00 C ATOM 1375 OG SER A 96 -9.711 -12.986 32.365 1.00 0.00 O ATOM 0 H SER A 96 -10.824 -14.438 29.954 1.00 0.00 H new ATOM 0 HA SER A 96 -10.077 -11.588 30.111 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.631 -14.115 31.026 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.053 -12.477 31.258 1.00 0.00 H new ATOM 0 HG SER A 96 -9.168 -13.287 33.123 1.00 0.00 H new ATOM 1381 N GLY A 97 -8.795 -13.903 28.147 1.00 0.00 N ATOM 1382 CA GLY A 97 -8.006 -14.089 26.943 1.00 0.00 C ATOM 1383 C GLY A 97 -8.866 -14.340 25.720 1.00 0.00 C ATOM 1384 O GLY A 97 -9.308 -13.399 25.060 1.00 0.00 O ATOM 0 H GLY A 97 -9.228 -14.752 28.511 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -7.390 -13.205 26.775 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -7.326 -14.929 27.084 1.00 0.00 H new TER 1388 GLY A 97