USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 439 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+ -100:sc= 0.0685 (180deg=-0.214) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 158:sc= -0.0473 (180deg=-0.307) USER MOD Single : A 12 LYS NZ :NH3+ -121:sc= -0.106 (180deg=-0.692) USER MOD Single : A 13 SER OG : rot -24:sc= 0.585 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.175 K(o=-0.18,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.938 -7.436 2.605 1.00 0.00 N ATOM 2 CA MET A 1 -1.630 -6.975 1.407 1.00 0.00 C ATOM 3 C MET A 1 -3.007 -6.418 1.755 1.00 0.00 C ATOM 4 O MET A 1 -3.499 -6.606 2.867 1.00 0.00 O ATOM 5 CB MET A 1 -1.769 -8.118 0.400 1.00 0.00 C ATOM 6 CG MET A 1 -2.719 -9.215 0.853 1.00 0.00 C ATOM 7 SD MET A 1 -2.592 -10.704 -0.156 1.00 0.00 S ATOM 8 CE MET A 1 -1.848 -11.841 1.011 1.00 0.00 C ATOM 0 H1 MET A 1 -0.255 -6.714 2.911 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.630 -7.602 3.363 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.435 -8.322 2.396 1.00 0.00 H new ATOM 0 HA MET A 1 -1.037 -6.177 0.960 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.120 -7.714 -0.550 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.786 -8.552 0.218 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.508 -9.466 1.893 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.743 -8.842 0.816 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.705 -12.811 0.534 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.883 -11.450 1.335 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.502 -11.955 1.875 1.00 0.00 H new ATOM 18 N ALA A 2 -3.623 -5.733 0.798 1.00 0.00 N ATOM 19 CA ALA A 2 -4.943 -5.150 1.003 1.00 0.00 C ATOM 20 C ALA A 2 -5.510 -4.602 -0.302 1.00 0.00 C ATOM 21 O ALA A 2 -6.710 -4.699 -0.559 1.00 0.00 O ATOM 22 CB ALA A 2 -4.878 -4.054 2.055 1.00 0.00 C ATOM 0 H ALA A 2 -3.229 -5.568 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.610 -5.937 1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.871 -3.627 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.525 -4.474 2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.192 -3.274 1.726 1.00 0.00 H new ATOM 28 N VAL A 3 -4.640 -4.023 -1.123 1.00 0.00 N ATOM 29 CA VAL A 3 -5.054 -3.459 -2.402 1.00 0.00 C ATOM 30 C VAL A 3 -5.179 -4.543 -3.467 1.00 0.00 C ATOM 31 O VAL A 3 -5.990 -4.435 -4.387 1.00 0.00 O ATOM 32 CB VAL A 3 -4.062 -2.387 -2.890 1.00 0.00 C ATOM 33 CG1 VAL A 3 -4.568 -1.731 -4.166 1.00 0.00 C ATOM 34 CG2 VAL A 3 -3.825 -1.347 -1.805 1.00 0.00 C ATOM 0 H VAL A 3 -3.644 -3.932 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.028 -2.997 -2.243 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.111 -2.872 -3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.854 -0.976 -4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.682 -2.487 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.532 -1.259 -3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.122 -0.597 -2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.769 -0.866 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.414 -1.832 -0.919 1.00 0.00 H new ATOM 44 N LYS A 4 -4.370 -5.588 -3.336 1.00 0.00 N ATOM 45 CA LYS A 4 -4.389 -6.695 -4.285 1.00 0.00 C ATOM 46 C LYS A 4 -5.807 -7.227 -4.471 1.00 0.00 C ATOM 47 O LYS A 4 -6.391 -7.101 -5.548 1.00 0.00 O ATOM 48 CB LYS A 4 -3.470 -7.821 -3.806 1.00 0.00 C ATOM 49 CG LYS A 4 -2.416 -8.220 -4.825 1.00 0.00 C ATOM 50 CD LYS A 4 -1.021 -7.835 -4.365 1.00 0.00 C ATOM 51 CE LYS A 4 -0.803 -6.332 -4.443 1.00 0.00 C ATOM 52 NZ LYS A 4 -0.371 -5.904 -5.803 1.00 0.00 N ATOM 0 H LYS A 4 -3.692 -5.692 -2.581 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.029 -6.324 -5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.975 -7.508 -2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.075 -8.694 -3.561 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.460 -9.296 -4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.631 -7.739 -5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.869 -8.173 -3.340 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.280 -8.344 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.726 -5.817 -4.176 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.050 -6.036 -3.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.233 -4.873 -5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.523 -6.376 -6.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.101 -6.164 -6.497 1.00 0.00 H new ATOM 66 N LEU A 5 -6.354 -7.820 -3.417 1.00 0.00 N ATOM 67 CA LEU A 5 -7.705 -8.370 -3.464 1.00 0.00 C ATOM 68 C LEU A 5 -8.729 -7.276 -3.750 1.00 0.00 C ATOM 69 O LEU A 5 -9.254 -7.179 -4.859 1.00 0.00 O ATOM 70 CB LEU A 5 -8.040 -9.065 -2.143 1.00 0.00 C ATOM 71 CG LEU A 5 -8.015 -10.594 -2.164 1.00 0.00 C ATOM 72 CD1 LEU A 5 -6.685 -11.098 -2.702 1.00 0.00 C ATOM 73 CD2 LEU A 5 -8.275 -11.151 -0.772 1.00 0.00 C ATOM 0 H LEU A 5 -5.884 -7.933 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.745 -9.100 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.336 -8.720 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.032 -8.742 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.807 -10.942 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.685 -12.188 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.539 -10.728 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.876 -10.740 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.254 -12.240 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.505 -10.794 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.253 -10.818 -0.424 1.00 0.00 H new ATOM 85 N MET A 6 -9.005 -6.453 -2.744 1.00 0.00 N ATOM 86 CA MET A 6 -9.963 -5.364 -2.889 1.00 0.00 C ATOM 87 C MET A 6 -9.398 -4.258 -3.775 1.00 0.00 C ATOM 88 O MET A 6 -8.897 -3.249 -3.281 1.00 0.00 O ATOM 89 CB MET A 6 -10.333 -4.795 -1.517 1.00 0.00 C ATOM 90 CG MET A 6 -11.110 -5.769 -0.646 1.00 0.00 C ATOM 91 SD MET A 6 -12.107 -4.937 0.606 1.00 0.00 S ATOM 92 CE MET A 6 -11.036 -5.070 2.035 1.00 0.00 C ATOM 0 H MET A 6 -8.579 -6.520 -1.820 1.00 0.00 H new ATOM 0 HA MET A 6 -10.860 -5.763 -3.363 1.00 0.00 H new ATOM 0 HB2 MET A 6 -9.421 -4.502 -0.996 1.00 0.00 H new ATOM 0 HB3 MET A 6 -10.926 -3.891 -1.655 1.00 0.00 H new ATOM 0 HG2 MET A 6 -11.759 -6.377 -1.277 1.00 0.00 H new ATOM 0 HG3 MET A 6 -10.413 -6.449 -0.157 1.00 0.00 H new ATOM 0 HE1 MET A 6 -11.515 -4.600 2.894 1.00 0.00 H new ATOM 0 HE2 MET A 6 -10.850 -6.122 2.254 1.00 0.00 H new ATOM 0 HE3 MET A 6 -10.090 -4.570 1.828 1.00 0.00 H new ATOM 102 N GLY A 7 -9.484 -4.455 -5.087 1.00 0.00 N ATOM 103 CA GLY A 7 -8.977 -3.466 -6.020 1.00 0.00 C ATOM 104 C GLY A 7 -10.081 -2.811 -6.827 1.00 0.00 C ATOM 105 O GLY A 7 -10.343 -1.617 -6.678 1.00 0.00 O ATOM 0 H GLY A 7 -9.896 -5.282 -5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.429 -2.700 -5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.268 -3.941 -6.698 1.00 0.00 H new ATOM 109 N VAL A 8 -10.729 -3.592 -7.685 1.00 0.00 N ATOM 110 CA VAL A 8 -11.810 -3.081 -8.519 1.00 0.00 C ATOM 111 C VAL A 8 -12.881 -2.400 -7.674 1.00 0.00 C ATOM 112 O VAL A 8 -13.505 -1.431 -8.106 1.00 0.00 O ATOM 113 CB VAL A 8 -12.461 -4.206 -9.345 1.00 0.00 C ATOM 114 CG1 VAL A 8 -13.069 -5.258 -8.430 1.00 0.00 C ATOM 115 CG2 VAL A 8 -13.512 -3.635 -10.286 1.00 0.00 C ATOM 0 H VAL A 8 -10.524 -4.582 -7.821 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.369 -2.351 -9.198 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.688 -4.685 -9.946 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.524 -6.045 -9.032 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.289 -5.688 -7.801 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.830 -4.797 -7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.962 -4.443 -10.862 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.284 -3.130 -9.706 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.044 -2.923 -10.965 1.00 0.00 H new ATOM 125 N ASP A 9 -13.088 -2.914 -6.466 1.00 0.00 N ATOM 126 CA ASP A 9 -14.083 -2.355 -5.558 1.00 0.00 C ATOM 127 C ASP A 9 -13.670 -0.963 -5.090 1.00 0.00 C ATOM 128 O ASP A 9 -14.516 -0.124 -4.779 1.00 0.00 O ATOM 129 CB ASP A 9 -14.278 -3.275 -4.352 1.00 0.00 C ATOM 130 CG ASP A 9 -15.318 -4.349 -4.606 1.00 0.00 C ATOM 131 OD1 ASP A 9 -16.471 -3.994 -4.927 1.00 0.00 O ATOM 132 OD2 ASP A 9 -14.978 -5.545 -4.483 1.00 0.00 O ATOM 0 H ASP A 9 -12.580 -3.716 -6.093 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.026 -2.272 -6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.328 -3.746 -4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.577 -2.680 -3.489 1.00 0.00 H new ATOM 137 N LYS A 10 -12.364 -0.724 -5.041 1.00 0.00 N ATOM 138 CA LYS A 10 -11.837 0.566 -4.611 1.00 0.00 C ATOM 139 C LYS A 10 -11.984 1.609 -5.715 1.00 0.00 C ATOM 140 O LYS A 10 -12.509 2.699 -5.485 1.00 0.00 O ATOM 141 CB LYS A 10 -10.366 0.432 -4.214 1.00 0.00 C ATOM 142 CG LYS A 10 -10.142 -0.445 -2.994 1.00 0.00 C ATOM 143 CD LYS A 10 -10.560 0.260 -1.715 1.00 0.00 C ATOM 144 CE LYS A 10 -9.834 -0.305 -0.504 1.00 0.00 C ATOM 145 NZ LYS A 10 -8.383 0.029 -0.521 1.00 0.00 N ATOM 0 H LYS A 10 -11.650 -1.407 -5.294 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.412 0.895 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.808 0.020 -5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.960 1.424 -4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.708 -1.371 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.089 -0.720 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.351 1.326 -1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.636 0.156 -1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.286 0.088 0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.957 -1.388 -0.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.002 -0.030 0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.879 -0.644 -1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.253 0.994 -0.886 1.00 0.00 H new ATOM 159 N ILE A 11 -11.519 1.267 -6.911 1.00 0.00 N ATOM 160 CA ILE A 11 -11.601 2.173 -8.050 1.00 0.00 C ATOM 161 C ILE A 11 -13.050 2.402 -8.466 1.00 0.00 C ATOM 162 O ILE A 11 -13.424 3.501 -8.876 1.00 0.00 O ATOM 163 CB ILE A 11 -10.811 1.634 -9.257 1.00 0.00 C ATOM 164 CG1 ILE A 11 -11.308 0.239 -9.638 1.00 0.00 C ATOM 165 CG2 ILE A 11 -9.322 1.605 -8.944 1.00 0.00 C ATOM 166 CD1 ILE A 11 -12.457 0.254 -10.622 1.00 0.00 C ATOM 0 H ILE A 11 -11.081 0.369 -7.117 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.162 3.119 -7.733 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.972 2.300 -10.105 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.481 -0.328 -10.066 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.620 -0.286 -8.735 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.776 1.222 -9.806 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.978 2.614 -8.716 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.143 0.958 -8.085 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.757 -0.770 -10.846 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.300 0.793 -10.189 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -12.143 0.750 -11.541 1.00 0.00 H new ATOM 178 N LYS A 12 -13.863 1.357 -8.358 1.00 0.00 N ATOM 179 CA LYS A 12 -15.273 1.443 -8.720 1.00 0.00 C ATOM 180 C LYS A 12 -16.053 2.244 -7.683 1.00 0.00 C ATOM 181 O LYS A 12 -17.081 2.846 -7.994 1.00 0.00 O ATOM 182 CB LYS A 12 -15.873 0.041 -8.854 1.00 0.00 C ATOM 183 CG LYS A 12 -17.382 0.039 -9.022 1.00 0.00 C ATOM 184 CD LYS A 12 -18.092 -0.111 -7.687 1.00 0.00 C ATOM 185 CE LYS A 12 -18.458 -1.561 -7.410 1.00 0.00 C ATOM 186 NZ LYS A 12 -19.419 -2.092 -8.417 1.00 0.00 N ATOM 0 H LYS A 12 -13.569 0.440 -8.022 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.345 1.956 -9.679 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.420 -0.459 -9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -15.613 -0.542 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -17.697 0.966 -9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.674 -0.776 -9.684 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.451 0.262 -6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -18.994 0.500 -7.683 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.555 -2.171 -7.413 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.894 -1.642 -6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -20.285 -2.409 -7.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -19.655 -1.344 -9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -18.988 -2.895 -8.918 1.00 0.00 H new ATOM 200 N SER A 13 -15.557 2.250 -6.450 1.00 0.00 N ATOM 201 CA SER A 13 -16.209 2.976 -5.367 1.00 0.00 C ATOM 202 C SER A 13 -15.667 4.398 -5.262 1.00 0.00 C ATOM 203 O SER A 13 -16.348 5.302 -4.778 1.00 0.00 O ATOM 204 CB SER A 13 -16.008 2.243 -4.039 1.00 0.00 C ATOM 205 OG SER A 13 -14.651 2.283 -3.634 1.00 0.00 O ATOM 0 H SER A 13 -14.705 1.760 -6.176 1.00 0.00 H new ATOM 0 HA SER A 13 -17.275 3.027 -5.588 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.633 2.698 -3.271 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.330 1.207 -4.140 1.00 0.00 H new ATOM 0 HG SER A 13 -14.079 2.418 -4.418 1.00 0.00 H new ATOM 211 N LYS A 14 -14.434 4.589 -5.720 1.00 0.00 N ATOM 212 CA LYS A 14 -13.797 5.900 -5.680 1.00 0.00 C ATOM 213 C LYS A 14 -14.578 6.910 -6.516 1.00 0.00 C ATOM 214 O LYS A 14 -15.181 7.840 -5.980 1.00 0.00 O ATOM 215 CB LYS A 14 -12.357 5.806 -6.188 1.00 0.00 C ATOM 216 CG LYS A 14 -11.420 6.819 -5.553 1.00 0.00 C ATOM 217 CD LYS A 14 -11.956 8.235 -5.686 1.00 0.00 C ATOM 218 CE LYS A 14 -12.089 8.646 -7.144 1.00 0.00 C ATOM 219 NZ LYS A 14 -11.172 9.767 -7.490 1.00 0.00 N ATOM 0 H LYS A 14 -13.856 3.852 -6.123 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.789 6.241 -4.645 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.978 4.802 -5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.352 5.947 -7.269 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.283 6.578 -4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.439 6.754 -6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.928 8.305 -5.197 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.290 8.927 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.874 7.790 -7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.118 8.943 -7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.293 10.018 -8.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.394 10.592 -6.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.188 9.475 -7.322 1.00 0.00 H new ATOM 233 N ILE A 15 -14.563 6.720 -7.831 1.00 0.00 N ATOM 234 CA ILE A 15 -15.271 7.612 -8.740 1.00 0.00 C ATOM 235 C ILE A 15 -16.765 7.632 -8.437 1.00 0.00 C ATOM 236 O ILE A 15 -17.403 8.686 -8.469 1.00 0.00 O ATOM 237 CB ILE A 15 -15.062 7.202 -10.209 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.575 6.977 -10.492 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.629 8.262 -11.141 1.00 0.00 C ATOM 240 CD1 ILE A 15 -13.239 5.548 -10.858 1.00 0.00 C ATOM 0 H ILE A 15 -14.068 5.956 -8.291 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.858 8.609 -8.588 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.593 6.267 -10.388 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.265 7.634 -11.304 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.999 7.263 -9.612 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.473 7.957 -12.176 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.696 8.378 -10.953 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -15.124 9.211 -10.962 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -12.169 5.462 -11.045 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.518 4.887 -10.037 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.788 5.264 -11.756 1.00 0.00 H new ATOM 252 N LEU A 16 -17.319 6.461 -8.141 1.00 0.00 N ATOM 253 CA LEU A 16 -18.739 6.343 -7.830 1.00 0.00 C ATOM 254 C LEU A 16 -19.101 7.185 -6.610 1.00 0.00 C ATOM 255 O LEU A 16 -19.973 8.052 -6.678 1.00 0.00 O ATOM 256 CB LEU A 16 -19.107 4.879 -7.581 1.00 0.00 C ATOM 257 CG LEU A 16 -20.597 4.582 -7.404 1.00 0.00 C ATOM 258 CD1 LEU A 16 -21.397 5.162 -8.560 1.00 0.00 C ATOM 259 CD2 LEU A 16 -20.831 3.083 -7.289 1.00 0.00 C ATOM 0 H LEU A 16 -16.806 5.580 -8.110 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.305 6.713 -8.685 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.735 4.285 -8.416 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -18.581 4.540 -6.689 1.00 0.00 H new ATOM 0 HG LEU A 16 -20.936 5.054 -6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -22.455 4.941 -8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -21.253 6.242 -8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -21.057 4.719 -9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -21.896 2.890 -7.164 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -20.477 2.589 -8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.288 2.695 -6.427 1.00 0.00 H new ATOM 271 N ASP A 17 -18.425 6.924 -5.497 1.00 0.00 N ATOM 272 CA ASP A 17 -18.673 7.660 -4.262 1.00 0.00 C ATOM 273 C ASP A 17 -18.286 9.127 -4.417 1.00 0.00 C ATOM 274 O ASP A 17 -18.962 10.016 -3.898 1.00 0.00 O ATOM 275 CB ASP A 17 -17.893 7.034 -3.105 1.00 0.00 C ATOM 276 CG ASP A 17 -18.363 7.533 -1.753 1.00 0.00 C ATOM 277 OD1 ASP A 17 -19.559 7.355 -1.437 1.00 0.00 O ATOM 278 OD2 ASP A 17 -17.536 8.100 -1.010 1.00 0.00 O ATOM 0 H ASP A 17 -17.701 6.209 -5.424 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.739 7.605 -4.043 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.997 5.950 -3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.833 7.257 -3.223 1.00 0.00 H new ATOM 283 N ASP A 18 -17.195 9.374 -5.133 1.00 0.00 N ATOM 284 CA ASP A 18 -16.718 10.734 -5.356 1.00 0.00 C ATOM 285 C ASP A 18 -17.746 11.549 -6.134 1.00 0.00 C ATOM 286 O ASP A 18 -18.184 12.607 -5.682 1.00 0.00 O ATOM 287 CB ASP A 18 -15.388 10.713 -6.111 1.00 0.00 C ATOM 288 CG ASP A 18 -14.758 12.088 -6.212 1.00 0.00 C ATOM 289 OD1 ASP A 18 -15.292 13.032 -5.594 1.00 0.00 O ATOM 290 OD2 ASP A 18 -13.730 12.221 -6.909 1.00 0.00 O ATOM 0 H ASP A 18 -16.624 8.650 -5.569 1.00 0.00 H new ATOM 0 HA ASP A 18 -16.568 11.204 -4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.698 10.037 -5.607 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.549 10.316 -7.113 1.00 0.00 H new ATOM 295 N ALA A 19 -18.124 11.051 -7.307 1.00 0.00 N ATOM 296 CA ALA A 19 -19.101 11.733 -8.147 1.00 0.00 C ATOM 297 C ALA A 19 -20.455 11.825 -7.451 1.00 0.00 C ATOM 298 O ALA A 19 -21.171 12.816 -7.593 1.00 0.00 O ATOM 299 CB ALA A 19 -19.239 11.017 -9.482 1.00 0.00 C ATOM 0 H ALA A 19 -17.769 10.178 -7.697 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.745 12.748 -8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -19.972 11.537 -10.100 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.276 11.009 -9.992 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.569 9.992 -9.313 1.00 0.00 H new ATOM 305 N LYS A 20 -20.800 10.785 -6.700 1.00 0.00 N ATOM 306 CA LYS A 20 -22.068 10.748 -5.981 1.00 0.00 C ATOM 307 C LYS A 20 -22.088 11.780 -4.858 1.00 0.00 C ATOM 308 O LYS A 20 -23.077 12.488 -4.671 1.00 0.00 O ATOM 309 CB LYS A 20 -22.312 9.350 -5.407 1.00 0.00 C ATOM 310 CG LYS A 20 -22.927 8.382 -6.404 1.00 0.00 C ATOM 311 CD LYS A 20 -22.869 6.950 -5.899 1.00 0.00 C ATOM 312 CE LYS A 20 -23.680 6.775 -4.624 1.00 0.00 C ATOM 313 NZ LYS A 20 -23.704 5.355 -4.174 1.00 0.00 N ATOM 0 H LYS A 20 -20.219 9.956 -6.573 1.00 0.00 H new ATOM 0 HA LYS A 20 -22.863 10.989 -6.686 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -21.366 8.941 -5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -22.968 9.432 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -23.964 8.661 -6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -22.400 8.455 -7.356 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -23.248 6.276 -6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -21.832 6.670 -5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -23.258 7.399 -3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -24.700 7.120 -4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -24.266 5.276 -3.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -24.130 4.763 -4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -22.733 5.033 -3.989 1.00 0.00 H new ATOM 327 N ALA A 21 -20.989 11.861 -4.116 1.00 0.00 N ATOM 328 CA ALA A 21 -20.879 12.810 -3.014 1.00 0.00 C ATOM 329 C ALA A 21 -20.878 14.246 -3.525 1.00 0.00 C ATOM 330 O ALA A 21 -21.568 15.108 -2.981 1.00 0.00 O ATOM 331 CB ALA A 21 -19.621 12.535 -2.204 1.00 0.00 C ATOM 0 H ALA A 21 -20.162 11.281 -4.257 1.00 0.00 H new ATOM 0 HA ALA A 21 -21.748 12.682 -2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -19.552 13.251 -1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.663 11.524 -1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -18.746 12.633 -2.846 1.00 0.00 H new ATOM 337 N GLU A 22 -20.099 14.497 -4.573 1.00 0.00 N ATOM 338 CA GLU A 22 -20.009 15.830 -5.155 1.00 0.00 C ATOM 339 C GLU A 22 -21.370 16.296 -5.664 1.00 0.00 C ATOM 340 O GLU A 22 -21.717 17.471 -5.552 1.00 0.00 O ATOM 341 CB GLU A 22 -18.993 15.843 -6.300 1.00 0.00 C ATOM 342 CG GLU A 22 -17.548 15.884 -5.831 1.00 0.00 C ATOM 343 CD GLU A 22 -16.615 16.476 -6.869 1.00 0.00 C ATOM 344 OE1 GLU A 22 -16.996 16.510 -8.058 1.00 0.00 O ATOM 345 OE2 GLU A 22 -15.504 16.905 -6.493 1.00 0.00 O ATOM 0 H GLU A 22 -19.522 13.795 -5.036 1.00 0.00 H new ATOM 0 HA GLU A 22 -19.678 16.516 -4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -19.141 14.956 -6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -19.185 16.708 -6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.484 16.470 -4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.220 14.873 -5.587 1.00 0.00 H new ATOM 352 N ALA A 23 -22.136 15.365 -6.223 1.00 0.00 N ATOM 353 CA ALA A 23 -23.460 15.678 -6.747 1.00 0.00 C ATOM 354 C ALA A 23 -24.494 15.738 -5.628 1.00 0.00 C ATOM 355 O ALA A 23 -25.549 16.352 -5.777 1.00 0.00 O ATOM 356 CB ALA A 23 -23.870 14.652 -7.793 1.00 0.00 C ATOM 0 H ALA A 23 -21.862 14.388 -6.325 1.00 0.00 H new ATOM 0 HA ALA A 23 -23.414 16.661 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -24.861 14.898 -8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.152 14.661 -8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -23.892 13.660 -7.341 1.00 0.00 H new ATOM 362 N ASN A 24 -24.183 15.095 -4.507 1.00 0.00 N ATOM 363 CA ASN A 24 -25.087 15.074 -3.362 1.00 0.00 C ATOM 364 C ASN A 24 -24.905 16.321 -2.502 1.00 0.00 C ATOM 365 O ASN A 24 -25.824 16.746 -1.802 1.00 0.00 O ATOM 366 CB ASN A 24 -24.847 13.820 -2.519 1.00 0.00 C ATOM 367 CG ASN A 24 -25.794 12.691 -2.879 1.00 0.00 C ATOM 368 OD1 ASN A 24 -26.964 12.921 -3.186 1.00 0.00 O ATOM 369 ND2 ASN A 24 -25.290 11.463 -2.844 1.00 0.00 N ATOM 0 H ASN A 24 -23.313 14.582 -4.367 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.110 15.060 -3.739 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.819 13.485 -2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -24.965 14.067 -1.464 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -25.879 10.663 -3.077 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.314 11.319 -2.584 1.00 0.00 H new ATOM 376 N LYS A 25 -23.712 16.903 -2.560 1.00 0.00 N ATOM 377 CA LYS A 25 -23.407 18.103 -1.789 1.00 0.00 C ATOM 378 C LYS A 25 -23.735 19.360 -2.587 1.00 0.00 C ATOM 379 O LYS A 25 -23.902 20.441 -2.020 1.00 0.00 O ATOM 380 CB LYS A 25 -21.931 18.113 -1.384 1.00 0.00 C ATOM 381 CG LYS A 25 -21.711 18.285 0.109 1.00 0.00 C ATOM 382 CD LYS A 25 -22.357 17.161 0.901 1.00 0.00 C ATOM 383 CE LYS A 25 -21.550 16.820 2.144 1.00 0.00 C ATOM 384 NZ LYS A 25 -21.987 15.534 2.753 1.00 0.00 N ATOM 0 H LYS A 25 -22.940 16.563 -3.133 1.00 0.00 H new ATOM 0 HA LYS A 25 -24.024 18.094 -0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.468 17.180 -1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -21.423 18.920 -1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.642 18.312 0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.123 19.241 0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.367 17.452 1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.448 16.276 0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.493 16.759 1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.653 17.622 2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.413 15.337 3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.989 15.601 3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.865 14.764 2.064 1.00 0.00 H new ATOM 398 N ILE A 26 -23.828 19.212 -3.904 1.00 0.00 N ATOM 399 CA ILE A 26 -24.139 20.336 -4.779 1.00 0.00 C ATOM 400 C ILE A 26 -25.646 20.527 -4.914 1.00 0.00 C ATOM 401 O ILE A 26 -26.121 21.634 -5.168 1.00 0.00 O ATOM 402 CB ILE A 26 -23.529 20.145 -6.180 1.00 0.00 C ATOM 403 CG1 ILE A 26 -23.405 21.492 -6.894 1.00 0.00 C ATOM 404 CG2 ILE A 26 -24.374 19.181 -6.998 1.00 0.00 C ATOM 405 CD1 ILE A 26 -22.415 22.433 -6.244 1.00 0.00 C ATOM 0 H ILE A 26 -23.692 18.325 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 26 -23.702 21.223 -4.320 1.00 0.00 H new ATOM 0 HB ILE A 26 -22.531 19.720 -6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -23.105 21.320 -7.928 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.384 21.970 -6.922 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -23.930 19.056 -7.986 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -24.415 18.215 -6.494 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -25.383 19.580 -7.101 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -22.380 23.368 -6.804 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -22.725 22.636 -5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -21.426 21.975 -6.240 1.00 0.00 H new ATOM 417 N ILE A 27 -26.392 19.441 -4.742 1.00 0.00 N ATOM 418 CA ILE A 27 -27.845 19.489 -4.843 1.00 0.00 C ATOM 419 C ILE A 27 -28.465 20.062 -3.573 1.00 0.00 C ATOM 420 O ILE A 27 -29.510 20.711 -3.618 1.00 0.00 O ATOM 421 CB ILE A 27 -28.438 18.092 -5.105 1.00 0.00 C ATOM 422 CG1 ILE A 27 -27.957 17.103 -4.041 1.00 0.00 C ATOM 423 CG2 ILE A 27 -28.059 17.609 -6.496 1.00 0.00 C ATOM 424 CD1 ILE A 27 -29.072 16.553 -3.179 1.00 0.00 C ATOM 0 H ILE A 27 -26.014 18.517 -4.532 1.00 0.00 H new ATOM 0 HA ILE A 27 -28.082 20.139 -5.686 1.00 0.00 H new ATOM 0 HB ILE A 27 -29.525 18.157 -5.048 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -27.445 16.275 -4.531 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.225 17.597 -3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -28.485 16.620 -6.667 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -28.446 18.305 -7.241 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -26.974 17.555 -6.579 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -28.658 15.859 -2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -29.569 17.373 -2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -29.793 16.030 -3.807 1.00 0.00 H new ATOM 436 N SER A 28 -27.813 19.819 -2.440 1.00 0.00 N ATOM 437 CA SER A 28 -28.300 20.309 -1.157 1.00 0.00 C ATOM 438 C SER A 28 -27.871 21.756 -0.929 1.00 0.00 C ATOM 439 O SER A 28 -28.699 22.624 -0.657 1.00 0.00 O ATOM 440 CB SER A 28 -27.783 19.427 -0.019 1.00 0.00 C ATOM 441 OG SER A 28 -28.589 18.271 0.136 1.00 0.00 O ATOM 0 H SER A 28 -26.946 19.285 -2.385 1.00 0.00 H new ATOM 0 HA SER A 28 -29.389 20.269 -1.172 1.00 0.00 H new ATOM 0 HB2 SER A 28 -26.754 19.132 -0.222 1.00 0.00 H new ATOM 0 HB3 SER A 28 -27.774 19.996 0.911 1.00 0.00 H new ATOM 0 HG SER A 28 -28.237 17.723 0.868 1.00 0.00 H new ATOM 447 N GLU A 29 -26.570 22.005 -1.042 1.00 0.00 N ATOM 448 CA GLU A 29 -26.030 23.345 -0.848 1.00 0.00 C ATOM 449 C GLU A 29 -26.677 24.337 -1.810 1.00 0.00 C ATOM 450 O GLU A 29 -26.701 25.541 -1.554 1.00 0.00 O ATOM 451 CB GLU A 29 -24.513 23.342 -1.046 1.00 0.00 C ATOM 452 CG GLU A 29 -23.785 24.369 -0.194 1.00 0.00 C ATOM 453 CD GLU A 29 -22.992 25.359 -1.025 1.00 0.00 C ATOM 454 OE1 GLU A 29 -22.097 24.920 -1.777 1.00 0.00 O ATOM 455 OE2 GLU A 29 -23.268 26.573 -0.923 1.00 0.00 O ATOM 0 H GLU A 29 -25.871 21.297 -1.267 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.255 23.655 0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -24.127 22.350 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -24.292 23.532 -2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -24.509 24.910 0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -23.112 23.855 0.492 1.00 0.00 H new ATOM 462 N ALA A 30 -27.200 23.823 -2.918 1.00 0.00 N ATOM 463 CA ALA A 30 -27.848 24.662 -3.918 1.00 0.00 C ATOM 464 C ALA A 30 -29.298 24.945 -3.541 1.00 0.00 C ATOM 465 O ALA A 30 -29.656 26.079 -3.225 1.00 0.00 O ATOM 466 CB ALA A 30 -27.776 24.002 -5.287 1.00 0.00 C ATOM 0 H ALA A 30 -27.188 22.829 -3.146 1.00 0.00 H new ATOM 0 HA ALA A 30 -27.318 25.614 -3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -28.264 24.639 -6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -26.732 23.857 -5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -28.280 23.036 -5.252 1.00 0.00 H new ATOM 472 N GLU A 31 -30.128 23.907 -3.577 1.00 0.00 N ATOM 473 CA GLU A 31 -31.540 24.046 -3.240 1.00 0.00 C ATOM 474 C GLU A 31 -31.712 24.753 -1.898 1.00 0.00 C ATOM 475 O GLU A 31 -32.706 25.440 -1.670 1.00 0.00 O ATOM 476 CB GLU A 31 -32.214 22.673 -3.196 1.00 0.00 C ATOM 477 CG GLU A 31 -32.030 21.864 -4.468 1.00 0.00 C ATOM 478 CD GLU A 31 -33.297 21.785 -5.298 1.00 0.00 C ATOM 479 OE1 GLU A 31 -34.309 21.260 -4.786 1.00 0.00 O ATOM 480 OE2 GLU A 31 -33.277 22.247 -6.457 1.00 0.00 O ATOM 0 H GLU A 31 -29.847 22.961 -3.836 1.00 0.00 H new ATOM 0 HA GLU A 31 -32.014 24.651 -4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -31.813 22.108 -2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -33.280 22.807 -3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -31.236 22.310 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -31.706 20.856 -4.209 1.00 0.00 H new ATOM 487 N ALA A 32 -30.735 24.577 -1.014 1.00 0.00 N ATOM 488 CA ALA A 32 -30.777 25.198 0.304 1.00 0.00 C ATOM 489 C ALA A 32 -30.585 26.707 0.206 1.00 0.00 C ATOM 490 O ALA A 32 -31.522 27.476 0.421 1.00 0.00 O ATOM 491 CB ALA A 32 -29.717 24.587 1.209 1.00 0.00 C ATOM 0 H ALA A 32 -29.905 24.010 -1.187 1.00 0.00 H new ATOM 0 HA ALA A 32 -31.760 25.010 0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -29.760 25.060 2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -29.900 23.518 1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -28.731 24.745 0.772 1.00 0.00 H new ATOM 497 N GLU A 33 -29.366 27.125 -0.120 1.00 0.00 N ATOM 498 CA GLU A 33 -29.053 28.544 -0.245 1.00 0.00 C ATOM 499 C GLU A 33 -30.028 29.234 -1.194 1.00 0.00 C ATOM 500 O GLU A 33 -30.493 30.343 -0.927 1.00 0.00 O ATOM 501 CB GLU A 33 -27.619 28.730 -0.744 1.00 0.00 C ATOM 502 CG GLU A 33 -26.574 28.628 0.354 1.00 0.00 C ATOM 503 CD GLU A 33 -25.173 28.922 -0.145 1.00 0.00 C ATOM 504 OE1 GLU A 33 -24.974 28.948 -1.377 1.00 0.00 O ATOM 505 OE2 GLU A 33 -24.274 29.128 0.698 1.00 0.00 O ATOM 0 H GLU A 33 -28.579 26.502 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 33 -29.149 29.000 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.408 27.979 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -27.534 29.704 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -26.824 29.324 1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -26.600 27.626 0.783 1.00 0.00 H new ATOM 512 N LYS A 34 -30.333 28.572 -2.305 1.00 0.00 N ATOM 513 CA LYS A 34 -31.252 29.119 -3.295 1.00 0.00 C ATOM 514 C LYS A 34 -32.608 29.427 -2.667 1.00 0.00 C ATOM 515 O LYS A 34 -33.040 30.579 -2.634 1.00 0.00 O ATOM 516 CB LYS A 34 -31.427 28.138 -4.456 1.00 0.00 C ATOM 517 CG LYS A 34 -32.550 28.515 -5.407 1.00 0.00 C ATOM 518 CD LYS A 34 -32.774 27.441 -6.459 1.00 0.00 C ATOM 519 CE LYS A 34 -31.866 27.641 -7.662 1.00 0.00 C ATOM 520 NZ LYS A 34 -32.490 28.524 -8.687 1.00 0.00 N ATOM 0 H LYS A 34 -29.956 27.654 -2.542 1.00 0.00 H new ATOM 0 HA LYS A 34 -30.827 30.048 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -30.493 28.079 -5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -31.621 27.143 -4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -33.469 28.670 -4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -32.313 29.460 -5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -32.591 26.459 -6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -33.815 27.457 -6.781 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -30.921 28.075 -7.336 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -31.635 26.673 -8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -31.840 28.636 -9.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -33.379 28.098 -9.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -32.687 29.456 -8.269 1.00 0.00 H new ATOM 534 N ALA A 35 -33.273 28.390 -2.169 1.00 0.00 N ATOM 535 CA ALA A 35 -34.578 28.551 -1.538 1.00 0.00 C ATOM 536 C ALA A 35 -34.504 29.519 -0.362 1.00 0.00 C ATOM 537 O ALA A 35 -35.524 30.032 0.098 1.00 0.00 O ATOM 538 CB ALA A 35 -35.113 27.202 -1.082 1.00 0.00 C ATOM 0 H ALA A 35 -32.930 27.430 -2.190 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.262 28.970 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -36.088 27.337 -0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -35.213 26.540 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -34.422 26.761 -0.363 1.00 0.00 H new ATOM 544 N LYS A 36 -33.291 29.763 0.121 1.00 0.00 N ATOM 545 CA LYS A 36 -33.082 30.670 1.244 1.00 0.00 C ATOM 546 C LYS A 36 -33.042 32.120 0.772 1.00 0.00 C ATOM 547 O LYS A 36 -33.782 32.966 1.275 1.00 0.00 O ATOM 548 CB LYS A 36 -31.781 30.323 1.971 1.00 0.00 C ATOM 549 CG LYS A 36 -31.649 30.987 3.331 1.00 0.00 C ATOM 550 CD LYS A 36 -30.252 30.814 3.903 1.00 0.00 C ATOM 551 CE LYS A 36 -29.220 31.583 3.093 1.00 0.00 C ATOM 552 NZ LYS A 36 -27.952 31.777 3.850 1.00 0.00 N ATOM 0 H LYS A 36 -32.437 29.345 -0.248 1.00 0.00 H new ATOM 0 HA LYS A 36 -33.918 30.554 1.933 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -31.722 29.242 2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -30.937 30.618 1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -31.878 32.049 3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -32.380 30.560 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -30.236 31.159 4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -29.991 29.756 3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -29.012 31.046 2.167 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -29.628 32.554 2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -27.275 32.305 3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -28.146 32.311 4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -27.549 30.850 4.095 1.00 0.00 H new ATOM 566 N ILE A 37 -32.176 32.399 -0.196 1.00 0.00 N ATOM 567 CA ILE A 37 -32.043 33.746 -0.737 1.00 0.00 C ATOM 568 C ILE A 37 -33.253 34.119 -1.587 1.00 0.00 C ATOM 569 O ILE A 37 -33.623 35.290 -1.679 1.00 0.00 O ATOM 570 CB ILE A 37 -30.768 33.887 -1.588 1.00 0.00 C ATOM 571 CG1 ILE A 37 -30.721 32.796 -2.660 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.531 33.823 -0.705 1.00 0.00 C ATOM 573 CD1 ILE A 37 -30.304 33.305 -4.022 1.00 0.00 C ATOM 0 H ILE A 37 -31.556 31.710 -0.622 1.00 0.00 H new ATOM 0 HA ILE A 37 -31.978 34.423 0.115 1.00 0.00 H new ATOM 0 HB ILE A 37 -30.786 34.857 -2.084 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -30.027 32.017 -2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -31.705 32.333 -2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.638 33.924 -1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.562 34.633 0.024 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.505 32.866 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -30.293 32.478 -4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -31.011 34.063 -4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -29.307 33.742 -3.958 1.00 0.00 H new ATOM 585 N LEU A 38 -33.866 33.116 -2.206 1.00 0.00 N ATOM 586 CA LEU A 38 -35.036 33.338 -3.048 1.00 0.00 C ATOM 587 C LEU A 38 -36.221 33.823 -2.218 1.00 0.00 C ATOM 588 O LEU A 38 -36.998 34.667 -2.662 1.00 0.00 O ATOM 589 CB LEU A 38 -35.409 32.051 -3.786 1.00 0.00 C ATOM 590 CG LEU A 38 -34.818 31.886 -5.187 1.00 0.00 C ATOM 591 CD1 LEU A 38 -35.357 32.957 -6.123 1.00 0.00 C ATOM 592 CD2 LEU A 38 -33.298 31.936 -5.134 1.00 0.00 C ATOM 0 H LEU A 38 -33.572 32.141 -2.141 1.00 0.00 H new ATOM 0 HA LEU A 38 -34.787 34.109 -3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.094 31.203 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -36.495 32.002 -3.863 1.00 0.00 H new ATOM 0 HG LEU A 38 -35.116 30.911 -5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -34.926 32.824 -7.115 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -36.442 32.874 -6.185 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -35.090 33.942 -5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -32.895 31.817 -6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -32.980 32.896 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -32.929 31.131 -4.498 1.00 0.00 H new ATOM 604 N GLU A 39 -36.350 33.284 -1.009 1.00 0.00 N ATOM 605 CA GLU A 39 -37.439 33.663 -0.117 1.00 0.00 C ATOM 606 C GLU A 39 -37.026 34.825 0.782 1.00 0.00 C ATOM 607 O GLU A 39 -37.861 35.624 1.206 1.00 0.00 O ATOM 608 CB GLU A 39 -37.866 32.469 0.739 1.00 0.00 C ATOM 609 CG GLU A 39 -39.110 31.764 0.222 1.00 0.00 C ATOM 610 CD GLU A 39 -40.391 32.390 0.737 1.00 0.00 C ATOM 611 OE1 GLU A 39 -40.419 32.797 1.917 1.00 0.00 O ATOM 612 OE2 GLU A 39 -41.365 32.473 -0.040 1.00 0.00 O ATOM 0 H GLU A 39 -35.714 32.584 -0.626 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.282 33.982 -0.730 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -37.045 31.753 0.785 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -38.049 32.810 1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -39.111 31.788 -0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -39.078 30.715 0.517 1.00 0.00 H new ATOM 619 N LYS A 40 -35.732 34.912 1.070 1.00 0.00 N ATOM 620 CA LYS A 40 -35.205 35.975 1.917 1.00 0.00 C ATOM 621 C LYS A 40 -35.115 37.289 1.149 1.00 0.00 C ATOM 622 O LYS A 40 -35.525 38.338 1.644 1.00 0.00 O ATOM 623 CB LYS A 40 -33.825 35.590 2.456 1.00 0.00 C ATOM 624 CG LYS A 40 -33.260 36.590 3.450 1.00 0.00 C ATOM 625 CD LYS A 40 -32.929 35.929 4.777 1.00 0.00 C ATOM 626 CE LYS A 40 -33.025 36.916 5.931 1.00 0.00 C ATOM 627 NZ LYS A 40 -32.342 36.409 7.153 1.00 0.00 N ATOM 0 H LYS A 40 -35.028 34.258 0.729 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.890 36.111 2.754 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -33.891 34.613 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -33.133 35.490 1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -32.362 37.048 3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -33.981 37.391 3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -33.612 35.097 4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -31.923 35.512 4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -32.580 37.866 5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -34.074 37.111 6.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -32.430 37.110 7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -32.782 35.515 7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -31.336 36.247 6.946 1.00 0.00 H new ATOM 641 N ALA A 41 -34.575 37.224 -0.064 1.00 0.00 N ATOM 642 CA ALA A 41 -34.434 38.408 -0.902 1.00 0.00 C ATOM 643 C ALA A 41 -35.795 38.920 -1.363 1.00 0.00 C ATOM 644 O ALA A 41 -36.135 40.085 -1.155 1.00 0.00 O ATOM 645 CB ALA A 41 -33.549 38.104 -2.102 1.00 0.00 C ATOM 0 H ALA A 41 -34.228 36.364 -0.488 1.00 0.00 H new ATOM 0 HA ALA A 41 -33.963 39.190 -0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.453 38.998 -2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.563 37.793 -1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -33.997 37.303 -2.691 1.00 0.00 H new ATOM 651 N LYS A 42 -36.570 38.042 -1.991 1.00 0.00 N ATOM 652 CA LYS A 42 -37.895 38.404 -2.481 1.00 0.00 C ATOM 653 C LYS A 42 -38.747 38.995 -1.362 1.00 0.00 C ATOM 654 O LYS A 42 -39.619 39.828 -1.608 1.00 0.00 O ATOM 655 CB LYS A 42 -38.593 37.180 -3.076 1.00 0.00 C ATOM 656 CG LYS A 42 -38.013 36.736 -4.408 1.00 0.00 C ATOM 657 CD LYS A 42 -38.797 37.310 -5.576 1.00 0.00 C ATOM 658 CE LYS A 42 -39.102 36.246 -6.619 1.00 0.00 C ATOM 659 NZ LYS A 42 -40.195 35.335 -6.179 1.00 0.00 N ATOM 0 H LYS A 42 -36.303 37.074 -2.173 1.00 0.00 H new ATOM 0 HA LYS A 42 -37.774 39.159 -3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -38.527 36.354 -2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -39.652 37.404 -3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -36.972 37.053 -4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -38.019 35.647 -4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -39.729 37.742 -5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -38.228 38.119 -6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -39.385 36.726 -7.556 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -38.202 35.664 -6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -40.373 34.624 -6.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -39.915 34.857 -5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -41.061 35.886 -6.014 1.00 0.00 H new ATOM 673 N GLU A 43 -38.487 38.559 -0.133 1.00 0.00 N ATOM 674 CA GLU A 43 -39.230 39.046 1.023 1.00 0.00 C ATOM 675 C GLU A 43 -38.638 40.354 1.539 1.00 0.00 C ATOM 676 O GLU A 43 -39.297 41.392 1.528 1.00 0.00 O ATOM 677 CB GLU A 43 -39.229 37.997 2.137 1.00 0.00 C ATOM 678 CG GLU A 43 -39.897 38.469 3.417 1.00 0.00 C ATOM 679 CD GLU A 43 -38.957 38.450 4.607 1.00 0.00 C ATOM 680 OE1 GLU A 43 -38.245 37.441 4.786 1.00 0.00 O ATOM 681 OE2 GLU A 43 -38.934 39.447 5.360 1.00 0.00 O ATOM 0 H GLU A 43 -37.768 37.870 0.087 1.00 0.00 H new ATOM 0 HA GLU A 43 -40.258 39.232 0.710 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -39.737 37.101 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -38.200 37.714 2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -40.275 39.481 3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -40.758 37.835 3.628 1.00 0.00 H new ATOM 688 N GLU A 44 -37.389 40.293 1.991 1.00 0.00 N ATOM 689 CA GLU A 44 -36.708 41.472 2.514 1.00 0.00 C ATOM 690 C GLU A 44 -36.804 42.635 1.531 1.00 0.00 C ATOM 691 O GLU A 44 -36.914 43.793 1.933 1.00 0.00 O ATOM 692 CB GLU A 44 -35.239 41.154 2.802 1.00 0.00 C ATOM 693 CG GLU A 44 -34.393 40.997 1.550 1.00 0.00 C ATOM 694 CD GLU A 44 -33.120 40.212 1.801 1.00 0.00 C ATOM 695 OE1 GLU A 44 -33.041 39.528 2.843 1.00 0.00 O ATOM 696 OE2 GLU A 44 -32.203 40.281 0.956 1.00 0.00 O ATOM 0 H GLU A 44 -36.829 39.441 2.006 1.00 0.00 H new ATOM 0 HA GLU A 44 -37.199 41.762 3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -34.818 41.949 3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -35.183 40.235 3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -34.979 40.495 0.780 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -34.137 41.983 1.163 1.00 0.00 H new ATOM 703 N ALA A 45 -36.761 42.318 0.241 1.00 0.00 N ATOM 704 CA ALA A 45 -36.844 43.336 -0.799 1.00 0.00 C ATOM 705 C ALA A 45 -38.268 43.862 -0.939 1.00 0.00 C ATOM 706 O ALA A 45 -38.482 45.063 -1.101 1.00 0.00 O ATOM 707 CB ALA A 45 -36.353 42.776 -2.126 1.00 0.00 C ATOM 0 H ALA A 45 -36.669 41.364 -0.109 1.00 0.00 H new ATOM 0 HA ALA A 45 -36.204 44.169 -0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -36.421 43.547 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -35.316 42.455 -2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -36.970 41.924 -2.412 1.00 0.00 H new ATOM 713 N GLU A 46 -39.238 42.955 -0.877 1.00 0.00 N ATOM 714 CA GLU A 46 -40.642 43.330 -0.999 1.00 0.00 C ATOM 715 C GLU A 46 -41.095 44.144 0.210 1.00 0.00 C ATOM 716 O GLU A 46 -41.958 45.015 0.098 1.00 0.00 O ATOM 717 CB GLU A 46 -41.515 42.081 -1.142 1.00 0.00 C ATOM 718 CG GLU A 46 -41.681 41.617 -2.580 1.00 0.00 C ATOM 719 CD GLU A 46 -42.329 40.249 -2.680 1.00 0.00 C ATOM 720 OE1 GLU A 46 -42.914 39.794 -1.674 1.00 0.00 O ATOM 721 OE2 GLU A 46 -42.252 39.635 -3.764 1.00 0.00 O ATOM 0 H GLU A 46 -39.078 41.957 -0.743 1.00 0.00 H new ATOM 0 HA GLU A 46 -40.751 43.946 -1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -41.077 41.273 -0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -42.499 42.285 -0.719 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -42.286 42.342 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -40.705 41.589 -3.064 1.00 0.00 H new ATOM 728 N LYS A 47 -40.507 43.854 1.365 1.00 0.00 N ATOM 729 CA LYS A 47 -40.847 44.558 2.596 1.00 0.00 C ATOM 730 C LYS A 47 -40.050 45.853 2.720 1.00 0.00 C ATOM 731 O LYS A 47 -40.617 46.921 2.951 1.00 0.00 O ATOM 732 CB LYS A 47 -40.581 43.664 3.809 1.00 0.00 C ATOM 733 CG LYS A 47 -40.534 44.423 5.125 1.00 0.00 C ATOM 734 CD LYS A 47 -39.114 44.827 5.485 1.00 0.00 C ATOM 735 CE LYS A 47 -38.648 44.146 6.763 1.00 0.00 C ATOM 736 NZ LYS A 47 -39.101 44.878 7.978 1.00 0.00 N ATOM 0 H LYS A 47 -39.792 43.135 1.475 1.00 0.00 H new ATOM 0 HA LYS A 47 -41.908 44.807 2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -41.359 42.902 3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -39.634 43.143 3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -41.160 45.313 5.056 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -40.949 43.802 5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -38.442 44.567 4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -39.062 45.909 5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -39.029 43.125 6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -37.560 44.080 6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -38.763 44.383 8.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -38.716 45.844 7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -40.140 44.919 7.991 1.00 0.00 H new ATOM 750 N ARG A 48 -38.735 45.750 2.564 1.00 0.00 N ATOM 751 CA ARG A 48 -37.861 46.913 2.658 1.00 0.00 C ATOM 752 C ARG A 48 -37.868 47.706 1.354 1.00 0.00 C ATOM 753 O ARG A 48 -38.613 47.389 0.427 1.00 0.00 O ATOM 754 CB ARG A 48 -36.433 46.479 2.997 1.00 0.00 C ATOM 755 CG ARG A 48 -35.728 47.411 3.969 1.00 0.00 C ATOM 756 CD ARG A 48 -34.765 46.652 4.869 1.00 0.00 C ATOM 757 NE ARG A 48 -34.543 47.341 6.137 1.00 0.00 N ATOM 758 CZ ARG A 48 -33.755 48.402 6.269 1.00 0.00 C ATOM 759 NH1 ARG A 48 -33.117 48.893 5.216 1.00 0.00 N ATOM 760 NH2 ARG A 48 -33.604 48.974 7.457 1.00 0.00 N ATOM 0 H ARG A 48 -38.251 44.873 2.372 1.00 0.00 H new ATOM 0 HA ARG A 48 -38.237 47.555 3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -36.458 45.476 3.422 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -35.852 46.420 2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -35.183 48.174 3.413 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -36.468 47.929 4.580 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -35.160 45.655 5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -33.813 46.524 4.355 1.00 0.00 H new ATOM 0 HE ARG A 48 -35.019 46.988 6.967 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -33.231 48.456 4.301 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -32.512 49.708 5.320 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -34.093 48.599 8.270 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -32.999 49.789 7.557 1.00 0.00 H new ATOM 774 N LYS A 49 -37.033 48.737 1.291 1.00 0.00 N ATOM 775 CA LYS A 49 -36.941 49.576 0.101 1.00 0.00 C ATOM 776 C LYS A 49 -36.263 48.826 -1.041 1.00 0.00 C ATOM 777 O LYS A 49 -35.430 47.950 -0.813 1.00 0.00 O ATOM 778 CB LYS A 49 -36.167 50.858 0.415 1.00 0.00 C ATOM 779 CG LYS A 49 -34.697 50.622 0.719 1.00 0.00 C ATOM 780 CD LYS A 49 -34.023 51.887 1.224 1.00 0.00 C ATOM 781 CE LYS A 49 -33.258 51.633 2.514 1.00 0.00 C ATOM 782 NZ LYS A 49 -33.327 52.799 3.438 1.00 0.00 N ATOM 0 H LYS A 49 -36.410 49.012 2.050 1.00 0.00 H new ATOM 0 HA LYS A 49 -37.953 49.837 -0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -36.249 51.539 -0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -36.631 51.353 1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -34.601 49.834 1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -34.190 50.272 -0.180 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -33.340 52.266 0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -34.774 52.659 1.391 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -33.665 50.752 3.010 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -32.216 51.415 2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -32.794 52.587 4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -32.916 53.634 2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -34.320 52.991 3.681 1.00 0.00 H new ATOM 796 N ALA A 50 -36.625 49.178 -2.271 1.00 0.00 N ATOM 797 CA ALA A 50 -36.050 48.541 -3.448 1.00 0.00 C ATOM 798 C ALA A 50 -36.436 49.287 -4.721 1.00 0.00 C ATOM 799 O ALA A 50 -37.570 49.187 -5.189 1.00 0.00 O ATOM 800 CB ALA A 50 -36.492 47.087 -3.531 1.00 0.00 C ATOM 0 H ALA A 50 -37.314 49.901 -2.477 1.00 0.00 H new ATOM 0 HA ALA A 50 -34.965 48.574 -3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -36.055 46.624 -4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -36.159 46.554 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -37.579 47.040 -3.597 1.00 0.00 H new ATOM 806 N GLU A 51 -35.487 50.035 -5.275 1.00 0.00 N ATOM 807 CA GLU A 51 -35.731 50.799 -6.493 1.00 0.00 C ATOM 808 C GLU A 51 -35.438 49.956 -7.731 1.00 0.00 C ATOM 809 O GLU A 51 -36.031 50.164 -8.790 1.00 0.00 O ATOM 810 CB GLU A 51 -34.871 52.064 -6.508 1.00 0.00 C ATOM 811 CG GLU A 51 -33.380 51.786 -6.595 1.00 0.00 C ATOM 812 CD GLU A 51 -32.539 52.970 -6.159 1.00 0.00 C ATOM 813 OE1 GLU A 51 -32.394 53.921 -6.956 1.00 0.00 O ATOM 814 OE2 GLU A 51 -32.026 52.946 -5.021 1.00 0.00 O ATOM 0 H GLU A 51 -34.543 50.128 -4.900 1.00 0.00 H new ATOM 0 HA GLU A 51 -36.783 51.084 -6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -35.166 52.684 -7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -35.072 52.641 -5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -33.138 50.925 -5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -33.123 51.521 -7.620 1.00 0.00 H new ATOM 821 N ILE A 52 -34.519 49.007 -7.589 1.00 0.00 N ATOM 822 CA ILE A 52 -34.148 48.133 -8.696 1.00 0.00 C ATOM 823 C ILE A 52 -35.379 47.486 -9.322 1.00 0.00 C ATOM 824 O ILE A 52 -35.778 46.386 -8.938 1.00 0.00 O ATOM 825 CB ILE A 52 -33.177 47.028 -8.239 1.00 0.00 C ATOM 826 CG1 ILE A 52 -31.992 47.639 -7.489 1.00 0.00 C ATOM 827 CG2 ILE A 52 -32.694 46.220 -9.434 1.00 0.00 C ATOM 828 CD1 ILE A 52 -31.892 47.189 -6.048 1.00 0.00 C ATOM 0 H ILE A 52 -34.018 48.824 -6.720 1.00 0.00 H new ATOM 0 HA ILE A 52 -33.652 48.757 -9.439 1.00 0.00 H new ATOM 0 HB ILE A 52 -33.706 46.358 -7.561 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -31.070 47.377 -8.008 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -32.076 48.725 -7.517 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -32.009 45.443 -9.095 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -33.548 45.759 -9.931 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -32.179 46.878 -10.134 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -31.029 47.662 -5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -32.798 47.475 -5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -31.776 46.106 -6.012 1.00 0.00 H new TER 840 ILE A 52