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+ -178:sc= 0 (180deg=-0.0044) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -151:sc= -0.145 (180deg=-0.827) USER MOD Single : A 13 SER OG : rot 180:sc= 0 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= -0.68 X(o=-0.68,f=-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+ -179:sc= 0 (180deg=-0.000848) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.677 0.982 7.486 1.00 0.00 N ATOM 2 CA MET A 1 -8.659 -0.065 7.227 1.00 0.00 C ATOM 3 C MET A 1 -9.475 0.251 5.977 1.00 0.00 C ATOM 4 O MET A 1 -10.653 0.594 6.064 1.00 0.00 O ATOM 5 CB MET A 1 -9.590 -0.228 8.430 1.00 0.00 C ATOM 6 CG MET A 1 -8.898 -0.785 9.663 1.00 0.00 C ATOM 7 SD MET A 1 -10.060 -1.269 10.954 1.00 0.00 S ATOM 8 CE MET A 1 -9.549 -2.960 11.253 1.00 0.00 C ATOM 0 H1 MET A 1 -7.111 0.729 8.321 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.051 1.083 6.662 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.167 1.882 7.660 1.00 0.00 H new ATOM 0 HA MET A 1 -8.122 -0.999 7.062 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.027 0.740 8.675 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.413 -0.888 8.156 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.297 -1.649 9.378 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.212 -0.036 10.059 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.176 -3.398 12.030 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.652 -3.539 10.335 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.508 -2.974 11.576 1.00 0.00 H new ATOM 18 N ALA A 2 -8.839 0.134 4.816 1.00 0.00 N ATOM 19 CA ALA A 2 -9.506 0.405 3.549 1.00 0.00 C ATOM 20 C ALA A 2 -8.630 0.000 2.369 1.00 0.00 C ATOM 21 O ALA A 2 -9.124 -0.500 1.358 1.00 0.00 O ATOM 22 CB ALA A 2 -9.877 1.878 3.452 1.00 0.00 C ATOM 0 H ALA A 2 -7.862 -0.147 4.727 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.418 -0.192 3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.374 2.066 2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.548 2.139 4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.974 2.486 3.516 1.00 0.00 H new ATOM 28 N VAL A 3 -7.326 0.219 2.504 1.00 0.00 N ATOM 29 CA VAL A 3 -6.380 -0.124 1.448 1.00 0.00 C ATOM 30 C VAL A 3 -6.029 -1.607 1.486 1.00 0.00 C ATOM 31 O VAL A 3 -5.711 -2.208 0.459 1.00 0.00 O ATOM 32 CB VAL A 3 -5.085 0.702 1.565 1.00 0.00 C ATOM 33 CG1 VAL A 3 -4.160 0.413 0.392 1.00 0.00 C ATOM 34 CG2 VAL A 3 -5.407 2.186 1.648 1.00 0.00 C ATOM 0 H VAL A 3 -6.900 0.632 3.334 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.865 0.108 0.500 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.571 0.413 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.250 1.005 0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.904 -0.646 0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.662 0.673 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.481 2.755 1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.943 2.493 0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.028 2.375 2.524 1.00 0.00 H new ATOM 44 N LYS A 4 -6.089 -2.194 2.676 1.00 0.00 N ATOM 45 CA LYS A 4 -5.779 -3.608 2.850 1.00 0.00 C ATOM 46 C LYS A 4 -6.586 -4.465 1.880 1.00 0.00 C ATOM 47 O LYS A 4 -6.142 -5.535 1.463 1.00 0.00 O ATOM 48 CB LYS A 4 -6.066 -4.041 4.289 1.00 0.00 C ATOM 49 CG LYS A 4 -4.888 -4.722 4.965 1.00 0.00 C ATOM 50 CD LYS A 4 -4.194 -3.792 5.946 1.00 0.00 C ATOM 51 CE LYS A 4 -3.201 -2.880 5.242 1.00 0.00 C ATOM 52 NZ LYS A 4 -1.802 -3.374 5.379 1.00 0.00 N ATOM 0 H LYS A 4 -6.350 -1.711 3.536 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.719 -3.750 2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.353 -3.166 4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.919 -4.720 4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.234 -5.613 5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.175 -5.053 4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.938 -3.189 6.466 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.676 -4.381 6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.459 -2.808 4.185 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -3.274 -1.875 5.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.155 -2.726 4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.547 -3.418 6.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.726 -4.323 4.960 1.00 0.00 H new ATOM 66 N LEU A 5 -7.774 -3.987 1.523 1.00 0.00 N ATOM 67 CA LEU A 5 -8.643 -4.709 0.600 1.00 0.00 C ATOM 68 C LEU A 5 -7.931 -4.976 -0.722 1.00 0.00 C ATOM 69 O LEU A 5 -6.782 -4.576 -0.912 1.00 0.00 O ATOM 70 CB LEU A 5 -9.926 -3.914 0.350 1.00 0.00 C ATOM 71 CG LEU A 5 -10.693 -3.469 1.596 1.00 0.00 C ATOM 72 CD1 LEU A 5 -11.979 -2.757 1.205 1.00 0.00 C ATOM 73 CD2 LEU A 5 -10.992 -4.661 2.492 1.00 0.00 C ATOM 0 H LEU A 5 -8.157 -3.103 1.859 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.898 -5.667 1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.673 -3.028 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.591 -4.520 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.070 -2.769 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.511 -2.448 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.741 -1.879 0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.608 -3.433 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.538 -4.326 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.596 -5.385 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.057 -5.128 2.801 1.00 0.00 H new ATOM 85 N MET A 6 -8.621 -5.652 -1.634 1.00 0.00 N ATOM 86 CA MET A 6 -8.056 -5.969 -2.941 1.00 0.00 C ATOM 87 C MET A 6 -7.611 -4.701 -3.663 1.00 0.00 C ATOM 88 O MET A 6 -6.707 -4.734 -4.496 1.00 0.00 O ATOM 89 CB MET A 6 -9.077 -6.724 -3.793 1.00 0.00 C ATOM 90 CG MET A 6 -9.491 -8.062 -3.202 1.00 0.00 C ATOM 91 SD MET A 6 -10.374 -9.100 -4.384 1.00 0.00 S ATOM 92 CE MET A 6 -9.092 -10.266 -4.835 1.00 0.00 C ATOM 0 H MET A 6 -9.573 -5.991 -1.493 1.00 0.00 H new ATOM 0 HA MET A 6 -7.183 -6.603 -2.787 1.00 0.00 H new ATOM 0 HB2 MET A 6 -9.963 -6.102 -3.919 1.00 0.00 H new ATOM 0 HB3 MET A 6 -8.659 -6.889 -4.786 1.00 0.00 H new ATOM 0 HG2 MET A 6 -8.604 -8.590 -2.852 1.00 0.00 H new ATOM 0 HG3 MET A 6 -10.124 -7.890 -2.331 1.00 0.00 H new ATOM 0 HE1 MET A 6 -9.485 -10.976 -5.562 1.00 0.00 H new ATOM 0 HE2 MET A 6 -8.249 -9.730 -5.271 1.00 0.00 H new ATOM 0 HE3 MET A 6 -8.760 -10.803 -3.947 1.00 0.00 H new ATOM 102 N GLY A 7 -8.255 -3.584 -3.338 1.00 0.00 N ATOM 103 CA GLY A 7 -7.911 -2.321 -3.965 1.00 0.00 C ATOM 104 C GLY A 7 -8.952 -1.872 -4.971 1.00 0.00 C ATOM 105 O GLY A 7 -9.380 -0.717 -4.960 1.00 0.00 O ATOM 0 H GLY A 7 -9.008 -3.531 -2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.799 -1.556 -3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.946 -2.417 -4.463 1.00 0.00 H new ATOM 109 N VAL A 8 -9.361 -2.786 -5.846 1.00 0.00 N ATOM 110 CA VAL A 8 -10.358 -2.478 -6.864 1.00 0.00 C ATOM 111 C VAL A 8 -11.622 -1.898 -6.238 1.00 0.00 C ATOM 112 O VAL A 8 -12.295 -1.059 -6.838 1.00 0.00 O ATOM 113 CB VAL A 8 -10.731 -3.729 -7.681 1.00 0.00 C ATOM 114 CG1 VAL A 8 -11.375 -4.778 -6.788 1.00 0.00 C ATOM 115 CG2 VAL A 8 -11.653 -3.357 -8.832 1.00 0.00 C ATOM 0 H VAL A 8 -9.017 -3.746 -5.870 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.913 -1.738 -7.529 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.819 -4.154 -8.099 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.632 -5.654 -7.383 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.677 -5.065 -6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.279 -4.368 -6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.907 -4.253 -9.399 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.564 -2.907 -8.438 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -11.150 -2.644 -9.485 1.00 0.00 H new ATOM 125 N ASP A 9 -11.937 -2.350 -5.030 1.00 0.00 N ATOM 126 CA ASP A 9 -13.120 -1.875 -4.321 1.00 0.00 C ATOM 127 C ASP A 9 -12.960 -0.412 -3.916 1.00 0.00 C ATOM 128 O ASP A 9 -13.942 0.321 -3.797 1.00 0.00 O ATOM 129 CB ASP A 9 -13.378 -2.734 -3.083 1.00 0.00 C ATOM 130 CG ASP A 9 -14.214 -3.960 -3.393 1.00 0.00 C ATOM 131 OD1 ASP A 9 -13.676 -4.904 -4.009 1.00 0.00 O ATOM 132 OD2 ASP A 9 -15.407 -3.976 -3.022 1.00 0.00 O ATOM 0 H ASP A 9 -11.390 -3.044 -4.521 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.974 -1.956 -4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.425 -3.046 -2.656 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.885 -2.134 -2.327 1.00 0.00 H new ATOM 137 N LYS A 10 -11.717 0.005 -3.704 1.00 0.00 N ATOM 138 CA LYS A 10 -11.426 1.379 -3.313 1.00 0.00 C ATOM 139 C LYS A 10 -11.526 2.319 -4.510 1.00 0.00 C ATOM 140 O LYS A 10 -12.211 3.341 -4.453 1.00 0.00 O ATOM 141 CB LYS A 10 -10.030 1.471 -2.694 1.00 0.00 C ATOM 142 CG LYS A 10 -9.896 2.571 -1.655 1.00 0.00 C ATOM 143 CD LYS A 10 -9.925 3.949 -2.295 1.00 0.00 C ATOM 144 CE LYS A 10 -9.277 4.993 -1.399 1.00 0.00 C ATOM 145 NZ LYS A 10 -9.718 6.372 -1.747 1.00 0.00 N ATOM 0 H LYS A 10 -10.894 -0.590 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.166 1.683 -2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.783 0.515 -2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.301 1.641 -3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.706 2.488 -0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.963 2.443 -1.107 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.406 3.917 -3.253 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.957 4.234 -2.501 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.526 4.784 -0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.193 4.925 -1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.254 7.055 -1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.458 6.581 -2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.750 6.444 -1.638 1.00 0.00 H new ATOM 159 N ILE A 11 -10.842 1.965 -5.592 1.00 0.00 N ATOM 160 CA ILE A 11 -10.856 2.776 -6.804 1.00 0.00 C ATOM 161 C ILE A 11 -12.243 2.790 -7.439 1.00 0.00 C ATOM 162 O ILE A 11 -12.688 3.812 -7.961 1.00 0.00 O ATOM 163 CB ILE A 11 -9.836 2.263 -7.837 1.00 0.00 C ATOM 164 CG1 ILE A 11 -10.099 0.791 -8.158 1.00 0.00 C ATOM 165 CG2 ILE A 11 -8.418 2.453 -7.320 1.00 0.00 C ATOM 166 CD1 ILE A 11 -11.055 0.585 -9.312 1.00 0.00 C ATOM 0 H ILE A 11 -10.271 1.122 -5.655 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.583 3.789 -6.509 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.948 2.841 -8.754 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.152 0.303 -8.390 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.501 0.301 -7.272 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.708 2.086 -8.061 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.236 3.512 -7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.292 1.898 -6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.194 -0.482 -9.483 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.015 1.043 -9.075 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.645 1.046 -10.211 1.00 0.00 H new ATOM 178 N LYS A 12 -12.922 1.649 -7.390 1.00 0.00 N ATOM 179 CA LYS A 12 -14.259 1.529 -7.957 1.00 0.00 C ATOM 180 C LYS A 12 -15.278 2.289 -7.114 1.00 0.00 C ATOM 181 O LYS A 12 -16.306 2.738 -7.621 1.00 0.00 O ATOM 182 CB LYS A 12 -14.663 0.056 -8.058 1.00 0.00 C ATOM 183 CG LYS A 12 -16.116 -0.151 -8.447 1.00 0.00 C ATOM 184 CD LYS A 12 -17.004 -0.304 -7.223 1.00 0.00 C ATOM 185 CE LYS A 12 -17.271 -1.768 -6.909 1.00 0.00 C ATOM 186 NZ LYS A 12 -17.985 -2.453 -8.022 1.00 0.00 N ATOM 0 H LYS A 12 -12.567 0.793 -6.963 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.242 1.964 -8.956 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.025 -0.437 -8.792 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.480 -0.429 -7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -16.458 0.695 -9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -16.203 -1.038 -9.074 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.529 0.173 -6.365 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.949 0.212 -7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.326 -2.276 -6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -17.864 -1.842 -5.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -18.566 -3.226 -7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -18.597 -1.771 -8.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.291 -2.841 -8.693 1.00 0.00 H new ATOM 200 N SER A 13 -14.985 2.431 -5.825 1.00 0.00 N ATOM 201 CA SER A 13 -15.877 3.136 -4.911 1.00 0.00 C ATOM 202 C SER A 13 -15.522 4.617 -4.840 1.00 0.00 C ATOM 203 O SER A 13 -16.363 5.455 -4.512 1.00 0.00 O ATOM 204 CB SER A 13 -15.805 2.514 -3.515 1.00 0.00 C ATOM 205 OG SER A 13 -16.625 3.220 -2.600 1.00 0.00 O ATOM 0 H SER A 13 -14.137 2.067 -5.390 1.00 0.00 H new ATOM 0 HA SER A 13 -16.895 3.043 -5.291 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.120 1.472 -3.561 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.773 2.520 -3.163 1.00 0.00 H new ATOM 0 HG SER A 13 -16.563 2.802 -1.716 1.00 0.00 H new ATOM 211 N LYS A 14 -14.269 4.934 -5.148 1.00 0.00 N ATOM 212 CA LYS A 14 -13.799 6.315 -5.120 1.00 0.00 C ATOM 213 C LYS A 14 -14.558 7.168 -6.132 1.00 0.00 C ATOM 214 O LYS A 14 -15.338 8.044 -5.757 1.00 0.00 O ATOM 215 CB LYS A 14 -12.298 6.370 -5.414 1.00 0.00 C ATOM 216 CG LYS A 14 -11.587 7.526 -4.731 1.00 0.00 C ATOM 217 CD LYS A 14 -12.256 8.854 -5.043 1.00 0.00 C ATOM 218 CE LYS A 14 -12.220 9.160 -6.533 1.00 0.00 C ATOM 219 NZ LYS A 14 -11.403 10.369 -6.832 1.00 0.00 N ATOM 0 H LYS A 14 -13.560 4.253 -5.420 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.983 6.716 -4.123 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.839 5.434 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.150 6.448 -6.491 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.581 7.365 -3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.547 7.557 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.290 8.831 -4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.756 9.652 -4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.811 8.304 -7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.236 9.309 -6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.404 10.544 -7.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.807 11.192 -6.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.427 10.217 -6.507 1.00 0.00 H new ATOM 233 N ILE A 15 -14.325 6.905 -7.413 1.00 0.00 N ATOM 234 CA ILE A 15 -14.989 7.648 -8.477 1.00 0.00 C ATOM 235 C ILE A 15 -16.505 7.539 -8.361 1.00 0.00 C ATOM 236 O ILE A 15 -17.228 8.512 -8.579 1.00 0.00 O ATOM 237 CB ILE A 15 -14.555 7.148 -9.868 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.030 7.048 -9.945 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.086 8.073 -10.953 1.00 0.00 C ATOM 240 CD1 ILE A 15 -12.527 5.635 -10.145 1.00 0.00 C ATOM 0 H ILE A 15 -13.682 6.184 -7.739 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.693 8.691 -8.365 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.974 6.155 -10.028 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.674 7.671 -10.765 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.601 7.452 -9.028 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.771 7.706 -11.930 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.175 8.098 -10.909 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.693 9.078 -10.799 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.438 5.639 -10.190 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.853 5.012 -9.312 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.927 5.235 -11.076 1.00 0.00 H new ATOM 252 N LEU A 16 -16.982 6.348 -8.014 1.00 0.00 N ATOM 253 CA LEU A 16 -18.414 6.111 -7.865 1.00 0.00 C ATOM 254 C LEU A 16 -18.998 6.981 -6.756 1.00 0.00 C ATOM 255 O LEU A 16 -19.894 7.790 -6.995 1.00 0.00 O ATOM 256 CB LEU A 16 -18.678 4.635 -7.564 1.00 0.00 C ATOM 257 CG LEU A 16 -20.115 4.155 -7.767 1.00 0.00 C ATOM 258 CD1 LEU A 16 -21.025 4.724 -6.689 1.00 0.00 C ATOM 259 CD2 LEU A 16 -20.617 4.544 -9.150 1.00 0.00 C ATOM 0 H LEU A 16 -16.398 5.532 -7.831 1.00 0.00 H new ATOM 0 HA LEU A 16 -18.901 6.377 -8.803 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.023 4.034 -8.194 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -18.393 4.439 -6.530 1.00 0.00 H new ATOM 0 HG LEU A 16 -20.129 3.068 -7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -22.044 4.372 -6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -20.678 4.396 -5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -21.006 5.813 -6.735 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -21.642 4.194 -9.277 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -20.588 5.628 -9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -19.981 4.088 -9.909 1.00 0.00 H new ATOM 271 N ASP A 17 -18.482 6.810 -5.544 1.00 0.00 N ATOM 272 CA ASP A 17 -18.950 7.581 -4.398 1.00 0.00 C ATOM 273 C ASP A 17 -18.699 9.071 -4.607 1.00 0.00 C ATOM 274 O ASP A 17 -19.507 9.909 -4.205 1.00 0.00 O ATOM 275 CB ASP A 17 -18.254 7.108 -3.120 1.00 0.00 C ATOM 276 CG ASP A 17 -18.752 7.836 -1.887 1.00 0.00 C ATOM 277 OD1 ASP A 17 -18.211 8.918 -1.577 1.00 0.00 O ATOM 278 OD2 ASP A 17 -19.684 7.324 -1.233 1.00 0.00 O ATOM 0 H ASP A 17 -17.739 6.144 -5.330 1.00 0.00 H new ATOM 0 HA ASP A 17 -20.024 7.422 -4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.416 6.037 -2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.179 7.259 -3.218 1.00 0.00 H new ATOM 283 N ASP A 18 -17.575 9.394 -5.237 1.00 0.00 N ATOM 284 CA ASP A 18 -17.218 10.783 -5.500 1.00 0.00 C ATOM 285 C ASP A 18 -18.198 11.421 -6.479 1.00 0.00 C ATOM 286 O ASP A 18 -18.741 12.494 -6.218 1.00 0.00 O ATOM 287 CB ASP A 18 -15.795 10.870 -6.054 1.00 0.00 C ATOM 288 CG ASP A 18 -15.318 12.301 -6.202 1.00 0.00 C ATOM 289 OD1 ASP A 18 -15.294 13.027 -5.186 1.00 0.00 O ATOM 290 OD2 ASP A 18 -14.968 12.697 -7.335 1.00 0.00 O ATOM 0 H ASP A 18 -16.895 8.713 -5.575 1.00 0.00 H new ATOM 0 HA ASP A 18 -17.267 11.329 -4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -15.117 10.331 -5.392 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.755 10.375 -7.024 1.00 0.00 H new ATOM 295 N ALA A 19 -18.420 10.753 -7.606 1.00 0.00 N ATOM 296 CA ALA A 19 -19.336 11.254 -8.623 1.00 0.00 C ATOM 297 C ALA A 19 -20.717 11.520 -8.035 1.00 0.00 C ATOM 298 O ALA A 19 -21.199 12.653 -8.044 1.00 0.00 O ATOM 299 CB ALA A 19 -19.434 10.267 -9.777 1.00 0.00 C ATOM 0 H ALA A 19 -17.978 9.863 -7.838 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.941 12.198 -8.998 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -20.121 10.654 -10.529 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.449 10.129 -10.222 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.802 9.310 -9.407 1.00 0.00 H new ATOM 305 N LYS A 20 -21.351 10.470 -7.524 1.00 0.00 N ATOM 306 CA LYS A 20 -22.677 10.590 -6.931 1.00 0.00 C ATOM 307 C LYS A 20 -22.695 11.668 -5.852 1.00 0.00 C ATOM 308 O LYS A 20 -23.685 12.381 -5.690 1.00 0.00 O ATOM 309 CB LYS A 20 -23.115 9.250 -6.335 1.00 0.00 C ATOM 310 CG LYS A 20 -22.144 8.695 -5.307 1.00 0.00 C ATOM 311 CD LYS A 20 -22.506 9.141 -3.900 1.00 0.00 C ATOM 312 CE LYS A 20 -22.565 7.962 -2.940 1.00 0.00 C ATOM 313 NZ LYS A 20 -23.949 7.432 -2.797 1.00 0.00 N ATOM 0 H LYS A 20 -20.967 9.525 -7.509 1.00 0.00 H new ATOM 0 HA LYS A 20 -23.375 10.876 -7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -24.093 9.371 -5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -23.232 8.525 -7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -22.144 7.606 -5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -21.133 9.025 -5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -21.771 9.864 -3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -23.471 9.648 -3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -21.908 7.169 -3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -22.191 8.270 -1.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -23.947 6.630 -2.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -24.571 8.181 -2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -24.297 7.115 -3.724 1.00 0.00 H new ATOM 327 N ALA A 21 -21.594 11.783 -5.118 1.00 0.00 N ATOM 328 CA ALA A 21 -21.482 12.776 -4.057 1.00 0.00 C ATOM 329 C ALA A 21 -21.508 14.191 -4.625 1.00 0.00 C ATOM 330 O ALA A 21 -22.159 15.079 -4.075 1.00 0.00 O ATOM 331 CB ALA A 21 -20.209 12.551 -3.254 1.00 0.00 C ATOM 0 H ALA A 21 -20.766 11.200 -5.239 1.00 0.00 H new ATOM 0 HA ALA A 21 -22.340 12.662 -3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -20.139 13.300 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.231 11.556 -2.809 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -19.344 12.635 -3.912 1.00 0.00 H new ATOM 337 N GLU A 22 -20.796 14.394 -5.729 1.00 0.00 N ATOM 338 CA GLU A 22 -20.737 15.702 -6.370 1.00 0.00 C ATOM 339 C GLU A 22 -22.128 16.163 -6.794 1.00 0.00 C ATOM 340 O GLU A 22 -22.484 17.330 -6.629 1.00 0.00 O ATOM 341 CB GLU A 22 -19.810 15.657 -7.587 1.00 0.00 C ATOM 342 CG GLU A 22 -18.813 16.804 -7.635 1.00 0.00 C ATOM 343 CD GLU A 22 -17.501 16.409 -8.284 1.00 0.00 C ATOM 344 OE1 GLU A 22 -17.492 16.183 -9.513 1.00 0.00 O ATOM 345 OE2 GLU A 22 -16.484 16.326 -7.565 1.00 0.00 O ATOM 0 H GLU A 22 -20.252 13.669 -6.198 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.341 16.415 -5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -19.265 14.713 -7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.414 15.673 -8.494 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -19.250 17.637 -8.185 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.621 17.157 -6.622 1.00 0.00 H new ATOM 352 N ALA A 23 -22.910 15.239 -7.342 1.00 0.00 N ATOM 353 CA ALA A 23 -24.263 15.549 -7.789 1.00 0.00 C ATOM 354 C ALA A 23 -25.236 15.574 -6.615 1.00 0.00 C ATOM 355 O ALA A 23 -26.314 16.160 -6.703 1.00 0.00 O ATOM 356 CB ALA A 23 -24.718 14.541 -8.833 1.00 0.00 C ATOM 0 H ALA A 23 -22.630 14.269 -7.487 1.00 0.00 H new ATOM 0 HA ALA A 23 -24.252 16.541 -8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.730 14.785 -9.158 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -24.044 14.575 -9.689 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.707 13.540 -8.402 1.00 0.00 H new ATOM 362 N ASN A 24 -24.848 14.933 -5.517 1.00 0.00 N ATOM 363 CA ASN A 24 -25.688 14.881 -4.326 1.00 0.00 C ATOM 364 C ASN A 24 -25.498 16.130 -3.471 1.00 0.00 C ATOM 365 O ASN A 24 -26.401 16.541 -2.742 1.00 0.00 O ATOM 366 CB ASN A 24 -25.365 13.632 -3.503 1.00 0.00 C ATOM 367 CG ASN A 24 -26.198 12.435 -3.917 1.00 0.00 C ATOM 368 OD1 ASN A 24 -27.374 12.570 -4.255 1.00 0.00 O ATOM 369 ND2 ASN A 24 -25.590 11.255 -3.893 1.00 0.00 N ATOM 0 H ASN A 24 -23.958 14.443 -5.427 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.729 14.837 -4.647 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.308 13.391 -3.613 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.535 13.842 -2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -26.099 10.413 -4.162 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.613 11.190 -3.606 1.00 0.00 H new ATOM 376 N LYS A 25 -24.317 16.732 -3.567 1.00 0.00 N ATOM 377 CA LYS A 25 -24.008 17.936 -2.805 1.00 0.00 C ATOM 378 C LYS A 25 -24.380 19.189 -3.592 1.00 0.00 C ATOM 379 O LYS A 25 -24.547 20.266 -3.019 1.00 0.00 O ATOM 380 CB LYS A 25 -22.520 17.969 -2.447 1.00 0.00 C ATOM 381 CG LYS A 25 -22.255 18.171 -0.965 1.00 0.00 C ATOM 382 CD LYS A 25 -22.855 17.049 -0.134 1.00 0.00 C ATOM 383 CE LYS A 25 -22.096 16.854 1.169 1.00 0.00 C ATOM 384 NZ LYS A 25 -22.961 16.276 2.234 1.00 0.00 N ATOM 0 H LYS A 25 -23.558 16.405 -4.165 1.00 0.00 H new ATOM 0 HA LYS A 25 -24.597 17.917 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -22.057 17.035 -2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -22.038 18.771 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -21.180 18.220 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.674 19.125 -0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.900 17.273 0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.840 16.122 -0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.243 16.197 0.998 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.698 17.812 1.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.406 16.159 3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -23.761 16.915 2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -23.320 15.350 1.925 1.00 0.00 H new ATOM 398 N ILE A 26 -24.511 19.040 -4.906 1.00 0.00 N ATOM 399 CA ILE A 26 -24.866 20.159 -5.769 1.00 0.00 C ATOM 400 C ILE A 26 -26.379 20.343 -5.835 1.00 0.00 C ATOM 401 O ILE A 26 -26.870 21.448 -6.067 1.00 0.00 O ATOM 402 CB ILE A 26 -24.321 19.964 -7.196 1.00 0.00 C ATOM 403 CG1 ILE A 26 -24.244 21.308 -7.924 1.00 0.00 C ATOM 404 CG2 ILE A 26 -25.195 18.987 -7.968 1.00 0.00 C ATOM 405 CD1 ILE A 26 -23.233 22.261 -7.326 1.00 0.00 C ATOM 0 H ILE A 26 -24.377 18.155 -5.396 1.00 0.00 H new ATOM 0 HA ILE A 26 -24.412 21.050 -5.334 1.00 0.00 H new ATOM 0 HB ILE A 26 -23.315 19.549 -7.131 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -23.991 21.132 -8.970 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -25.228 21.778 -7.908 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.797 18.860 -8.975 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -25.204 18.024 -7.457 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -26.212 19.376 -8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -23.232 23.193 -7.892 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -23.496 22.467 -6.289 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -22.241 21.811 -7.366 1.00 0.00 H new ATOM 417 N ILE A 27 -27.111 19.254 -5.628 1.00 0.00 N ATOM 418 CA ILE A 27 -28.568 19.296 -5.661 1.00 0.00 C ATOM 419 C ILE A 27 -29.132 19.847 -4.356 1.00 0.00 C ATOM 420 O ILE A 27 -30.174 20.501 -4.345 1.00 0.00 O ATOM 421 CB ILE A 27 -29.166 17.900 -5.917 1.00 0.00 C ATOM 422 CG1 ILE A 27 -28.640 16.900 -4.886 1.00 0.00 C ATOM 423 CG2 ILE A 27 -28.840 17.435 -7.329 1.00 0.00 C ATOM 424 CD1 ILE A 27 -29.711 16.369 -3.959 1.00 0.00 C ATOM 0 H ILE A 27 -26.720 18.332 -5.436 1.00 0.00 H new ATOM 0 HA ILE A 27 -28.846 19.957 -6.482 1.00 0.00 H new ATOM 0 HB ILE A 27 -30.250 17.961 -5.817 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -28.175 16.064 -5.407 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.861 17.378 -4.292 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -29.269 16.447 -7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -29.258 18.138 -8.049 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -27.758 17.387 -7.456 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -29.267 15.666 -3.255 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -30.160 17.197 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -30.479 15.861 -4.543 1.00 0.00 H new ATOM 436 N SER A 28 -28.434 19.579 -3.257 1.00 0.00 N ATOM 437 CA SER A 28 -28.866 20.046 -1.945 1.00 0.00 C ATOM 438 C SER A 28 -28.394 21.475 -1.694 1.00 0.00 C ATOM 439 O SER A 28 -29.185 22.349 -1.343 1.00 0.00 O ATOM 440 CB SER A 28 -28.332 19.121 -0.849 1.00 0.00 C ATOM 441 OG SER A 28 -28.041 19.846 0.333 1.00 0.00 O ATOM 0 H SER A 28 -27.567 19.041 -3.249 1.00 0.00 H new ATOM 0 HA SER A 28 -29.956 20.032 -1.923 1.00 0.00 H new ATOM 0 HB2 SER A 28 -29.067 18.346 -0.632 1.00 0.00 H new ATOM 0 HB3 SER A 28 -27.432 18.617 -1.201 1.00 0.00 H new ATOM 0 HG SER A 28 -27.703 19.232 1.018 1.00 0.00 H new ATOM 447 N GLU A 29 -27.097 21.704 -1.878 1.00 0.00 N ATOM 448 CA GLU A 29 -26.518 23.026 -1.671 1.00 0.00 C ATOM 449 C GLU A 29 -27.190 24.061 -2.569 1.00 0.00 C ATOM 450 O GLU A 29 -27.164 25.257 -2.283 1.00 0.00 O ATOM 451 CB GLU A 29 -25.013 22.997 -1.945 1.00 0.00 C ATOM 452 CG GLU A 29 -24.220 22.223 -0.905 1.00 0.00 C ATOM 453 CD GLU A 29 -23.439 23.130 0.027 1.00 0.00 C ATOM 454 OE1 GLU A 29 -24.062 24.012 0.655 1.00 0.00 O ATOM 455 OE2 GLU A 29 -22.206 22.959 0.127 1.00 0.00 O ATOM 0 H GLU A 29 -26.428 20.991 -2.170 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.685 23.309 -0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -24.839 22.554 -2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -24.640 24.020 -1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -24.901 21.606 -0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -23.531 21.546 -1.409 1.00 0.00 H new ATOM 462 N ALA A 30 -27.790 23.590 -3.658 1.00 0.00 N ATOM 463 CA ALA A 30 -28.470 24.472 -4.597 1.00 0.00 C ATOM 464 C ALA A 30 -29.896 24.764 -4.143 1.00 0.00 C ATOM 465 O ALA A 30 -30.223 25.895 -3.784 1.00 0.00 O ATOM 466 CB ALA A 30 -28.472 23.859 -5.990 1.00 0.00 C ATOM 0 H ALA A 30 -27.818 22.602 -3.911 1.00 0.00 H new ATOM 0 HA ALA A 30 -27.927 25.416 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -28.983 24.529 -6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -27.445 23.709 -6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -28.989 22.900 -5.965 1.00 0.00 H new ATOM 472 N GLU A 31 -30.740 23.737 -4.163 1.00 0.00 N ATOM 473 CA GLU A 31 -32.132 23.886 -3.754 1.00 0.00 C ATOM 474 C GLU A 31 -32.229 24.558 -2.388 1.00 0.00 C ATOM 475 O GLU A 31 -33.202 25.253 -2.094 1.00 0.00 O ATOM 476 CB GLU A 31 -32.823 22.521 -3.713 1.00 0.00 C ATOM 477 CG GLU A 31 -32.712 21.743 -5.014 1.00 0.00 C ATOM 478 CD GLU A 31 -34.016 21.711 -5.788 1.00 0.00 C ATOM 479 OE1 GLU A 31 -34.296 22.683 -6.519 1.00 0.00 O ATOM 480 OE2 GLU A 31 -34.756 20.713 -5.661 1.00 0.00 O ATOM 0 H GLU A 31 -30.485 22.794 -4.458 1.00 0.00 H new ATOM 0 HA GLU A 31 -32.634 24.518 -4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -32.390 21.928 -2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -33.877 22.664 -3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -31.936 22.190 -5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -32.398 20.722 -4.797 1.00 0.00 H new ATOM 487 N ALA A 32 -31.214 24.347 -1.557 1.00 0.00 N ATOM 488 CA ALA A 32 -31.184 24.933 -0.223 1.00 0.00 C ATOM 489 C ALA A 32 -30.972 26.442 -0.291 1.00 0.00 C ATOM 490 O ALA A 32 -31.886 27.218 -0.015 1.00 0.00 O ATOM 491 CB ALA A 32 -30.093 24.282 0.614 1.00 0.00 C ATOM 0 H ALA A 32 -30.401 23.774 -1.784 1.00 0.00 H new ATOM 0 HA ALA A 32 -32.149 24.749 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -30.082 24.729 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -30.289 23.213 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -29.126 24.437 0.135 1.00 0.00 H new ATOM 497 N GLU A 33 -29.762 26.849 -0.660 1.00 0.00 N ATOM 498 CA GLU A 33 -29.431 28.266 -0.762 1.00 0.00 C ATOM 499 C GLU A 33 -30.433 28.995 -1.653 1.00 0.00 C ATOM 500 O GLU A 33 -30.739 30.167 -1.433 1.00 0.00 O ATOM 501 CB GLU A 33 -28.016 28.443 -1.316 1.00 0.00 C ATOM 502 CG GLU A 33 -27.897 28.121 -2.797 1.00 0.00 C ATOM 503 CD GLU A 33 -26.462 28.150 -3.286 1.00 0.00 C ATOM 504 OE1 GLU A 33 -25.614 28.755 -2.599 1.00 0.00 O ATOM 505 OE2 GLU A 33 -26.188 27.568 -4.356 1.00 0.00 O ATOM 0 H GLU A 33 -28.995 26.219 -0.893 1.00 0.00 H new ATOM 0 HA GLU A 33 -29.478 28.697 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.696 29.472 -1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -27.333 27.802 -0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -28.322 27.135 -2.986 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -28.487 28.837 -3.369 1.00 0.00 H new ATOM 512 N LYS A 34 -30.941 28.293 -2.660 1.00 0.00 N ATOM 513 CA LYS A 34 -31.909 28.871 -3.585 1.00 0.00 C ATOM 514 C LYS A 34 -33.192 29.258 -2.858 1.00 0.00 C ATOM 515 O LYS A 34 -33.523 30.438 -2.747 1.00 0.00 O ATOM 516 CB LYS A 34 -32.225 27.881 -4.709 1.00 0.00 C ATOM 517 CG LYS A 34 -33.416 28.288 -5.560 1.00 0.00 C ATOM 518 CD LYS A 34 -33.750 27.227 -6.595 1.00 0.00 C ATOM 519 CE LYS A 34 -34.188 27.850 -7.911 1.00 0.00 C ATOM 520 NZ LYS A 34 -33.241 27.535 -9.017 1.00 0.00 N ATOM 0 H LYS A 34 -30.698 27.322 -2.857 1.00 0.00 H new ATOM 0 HA LYS A 34 -31.471 29.772 -4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -31.349 27.780 -5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -32.418 26.900 -4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -34.281 28.458 -4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -33.201 29.232 -6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -32.879 26.594 -6.763 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -34.543 26.583 -6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -35.183 27.488 -8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -34.263 28.931 -7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -33.575 27.978 -9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -32.297 27.903 -8.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -33.189 26.504 -9.146 1.00 0.00 H new ATOM 534 N ALA A 35 -33.911 28.256 -2.362 1.00 0.00 N ATOM 535 CA ALA A 35 -35.156 28.492 -1.642 1.00 0.00 C ATOM 536 C ALA A 35 -34.928 29.391 -0.431 1.00 0.00 C ATOM 537 O ALA A 35 -35.869 29.976 0.107 1.00 0.00 O ATOM 538 CB ALA A 35 -35.776 27.171 -1.211 1.00 0.00 C ATOM 0 H ALA A 35 -33.652 27.273 -2.446 1.00 0.00 H new ATOM 0 HA ALA A 35 -35.845 29.001 -2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -36.705 27.363 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -35.984 26.563 -2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -35.083 26.640 -0.558 1.00 0.00 H new ATOM 544 N LYS A 36 -33.674 29.497 -0.006 1.00 0.00 N ATOM 545 CA LYS A 36 -33.321 30.325 1.141 1.00 0.00 C ATOM 546 C LYS A 36 -33.191 31.789 0.735 1.00 0.00 C ATOM 547 O LYS A 36 -33.786 32.670 1.357 1.00 0.00 O ATOM 548 CB LYS A 36 -32.010 29.838 1.763 1.00 0.00 C ATOM 549 CG LYS A 36 -31.634 30.571 3.039 1.00 0.00 C ATOM 550 CD LYS A 36 -30.462 31.513 2.816 1.00 0.00 C ATOM 551 CE LYS A 36 -29.136 30.768 2.840 1.00 0.00 C ATOM 552 NZ LYS A 36 -28.646 30.552 4.229 1.00 0.00 N ATOM 0 H LYS A 36 -32.884 29.019 -0.439 1.00 0.00 H new ATOM 0 HA LYS A 36 -34.119 30.241 1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -32.093 28.772 1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -31.207 29.956 1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -32.493 31.136 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -31.379 29.848 3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -30.578 32.020 1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -30.462 32.284 3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -29.251 29.805 2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -28.393 31.332 2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -27.740 30.041 4.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -28.511 31.471 4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -29.343 29.992 4.760 1.00 0.00 H new ATOM 566 N ILE A 37 -32.412 32.042 -0.311 1.00 0.00 N ATOM 567 CA ILE A 37 -32.207 33.399 -0.800 1.00 0.00 C ATOM 568 C ILE A 37 -33.437 33.906 -1.546 1.00 0.00 C ATOM 569 O ILE A 37 -33.715 35.106 -1.565 1.00 0.00 O ATOM 570 CB ILE A 37 -30.984 33.483 -1.733 1.00 0.00 C ATOM 571 CG1 ILE A 37 -31.278 32.779 -3.059 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.763 32.873 -1.061 1.00 0.00 C ATOM 573 CD1 ILE A 37 -30.101 32.766 -4.010 1.00 0.00 C ATOM 0 H ILE A 37 -31.912 31.324 -0.836 1.00 0.00 H new ATOM 0 HA ILE A 37 -32.031 34.026 0.074 1.00 0.00 H new ATOM 0 HB ILE A 37 -30.774 34.532 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -31.582 31.752 -2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -32.121 33.272 -3.544 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.907 32.940 -1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.545 33.415 -0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.961 31.827 -0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -30.381 32.251 -4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -29.810 33.790 -4.243 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -29.263 32.247 -3.545 1.00 0.00 H new ATOM 585 N LEU A 38 -34.172 32.985 -2.159 1.00 0.00 N ATOM 586 CA LEU A 38 -35.375 33.338 -2.906 1.00 0.00 C ATOM 587 C LEU A 38 -36.434 33.933 -1.983 1.00 0.00 C ATOM 588 O LEU A 38 -37.125 34.882 -2.348 1.00 0.00 O ATOM 589 CB LEU A 38 -35.936 32.106 -3.618 1.00 0.00 C ATOM 590 CG LEU A 38 -35.547 31.945 -5.088 1.00 0.00 C ATOM 591 CD1 LEU A 38 -36.005 33.149 -5.896 1.00 0.00 C ATOM 592 CD2 LEU A 38 -34.044 31.749 -5.223 1.00 0.00 C ATOM 0 H LEU A 38 -33.956 31.988 -2.154 1.00 0.00 H new ATOM 0 HA LEU A 38 -35.105 34.088 -3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.609 31.218 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -37.024 32.137 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 38 -36.045 31.059 -5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -35.719 33.017 -6.940 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -37.089 33.244 -5.825 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -35.536 34.051 -5.503 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -33.785 31.636 -6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -33.526 32.616 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -33.743 30.855 -4.677 1.00 0.00 H new ATOM 604 N GLU A 39 -36.552 33.368 -0.785 1.00 0.00 N ATOM 605 CA GLU A 39 -37.526 33.844 0.190 1.00 0.00 C ATOM 606 C GLU A 39 -36.930 34.947 1.060 1.00 0.00 C ATOM 607 O GLU A 39 -37.630 35.869 1.481 1.00 0.00 O ATOM 608 CB GLU A 39 -38.006 32.689 1.071 1.00 0.00 C ATOM 609 CG GLU A 39 -39.200 31.943 0.498 1.00 0.00 C ATOM 610 CD GLU A 39 -39.558 30.709 1.304 1.00 0.00 C ATOM 611 OE1 GLU A 39 -38.684 29.831 1.463 1.00 0.00 O ATOM 612 OE2 GLU A 39 -40.711 30.621 1.775 1.00 0.00 O ATOM 0 H GLU A 39 -35.986 32.581 -0.467 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.377 34.254 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -37.185 31.987 1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -38.269 33.078 2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -40.060 32.612 0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -38.982 31.651 -0.529 1.00 0.00 H new ATOM 619 N LYS A 40 -35.632 34.846 1.327 1.00 0.00 N ATOM 620 CA LYS A 40 -34.940 35.833 2.147 1.00 0.00 C ATOM 621 C LYS A 40 -34.797 37.156 1.400 1.00 0.00 C ATOM 622 O LYS A 40 -35.073 38.222 1.949 1.00 0.00 O ATOM 623 CB LYS A 40 -33.559 35.312 2.552 1.00 0.00 C ATOM 624 CG LYS A 40 -33.595 34.330 3.710 1.00 0.00 C ATOM 625 CD LYS A 40 -33.265 35.010 5.028 1.00 0.00 C ATOM 626 CE LYS A 40 -33.291 34.023 6.185 1.00 0.00 C ATOM 627 NZ LYS A 40 -34.405 34.308 7.132 1.00 0.00 N ATOM 0 H LYS A 40 -35.038 34.090 0.987 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.534 36.005 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -33.095 34.829 1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -32.926 36.157 2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -34.584 33.875 3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -32.884 33.524 3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -32.280 35.472 4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -33.981 35.811 5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -33.395 33.010 5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -32.341 34.064 6.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -34.389 33.614 7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -34.292 35.265 7.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -35.313 34.244 6.629 1.00 0.00 H new ATOM 641 N ALA A 41 -34.366 37.078 0.145 1.00 0.00 N ATOM 642 CA ALA A 41 -34.190 38.269 -0.677 1.00 0.00 C ATOM 643 C ALA A 41 -35.531 38.928 -0.982 1.00 0.00 C ATOM 644 O ALA A 41 -35.716 40.122 -0.743 1.00 0.00 O ATOM 645 CB ALA A 41 -33.468 37.916 -1.969 1.00 0.00 C ATOM 0 H ALA A 41 -34.132 36.203 -0.324 1.00 0.00 H new ATOM 0 HA ALA A 41 -33.584 38.981 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.343 38.815 -2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.489 37.497 -1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -34.054 37.184 -2.525 1.00 0.00 H new ATOM 651 N LYS A 42 -36.464 38.144 -1.511 1.00 0.00 N ATOM 652 CA LYS A 42 -37.789 38.651 -1.848 1.00 0.00 C ATOM 653 C LYS A 42 -38.463 39.268 -0.627 1.00 0.00 C ATOM 654 O LYS A 42 -39.284 40.175 -0.752 1.00 0.00 O ATOM 655 CB LYS A 42 -38.660 37.526 -2.411 1.00 0.00 C ATOM 656 CG LYS A 42 -39.219 36.599 -1.346 1.00 0.00 C ATOM 657 CD LYS A 42 -40.601 37.039 -0.893 1.00 0.00 C ATOM 658 CE LYS A 42 -41.552 35.858 -0.775 1.00 0.00 C ATOM 659 NZ LYS A 42 -42.424 35.726 -1.975 1.00 0.00 N ATOM 0 H LYS A 42 -36.327 37.154 -1.716 1.00 0.00 H new ATOM 0 HA LYS A 42 -37.672 39.426 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -39.487 37.963 -2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -38.071 36.941 -3.117 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -39.270 35.583 -1.737 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -38.544 36.578 -0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -40.526 37.544 0.070 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -41.004 37.762 -1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -40.978 34.941 -0.641 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -42.172 35.979 0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -43.057 34.910 -1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -42.991 36.590 -2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -41.833 35.585 -2.819 1.00 0.00 H new ATOM 673 N GLU A 43 -38.108 38.769 0.554 1.00 0.00 N ATOM 674 CA GLU A 43 -38.679 39.273 1.797 1.00 0.00 C ATOM 675 C GLU A 43 -37.949 40.530 2.261 1.00 0.00 C ATOM 676 O GLU A 43 -38.547 41.599 2.378 1.00 0.00 O ATOM 677 CB GLU A 43 -38.612 38.200 2.886 1.00 0.00 C ATOM 678 CG GLU A 43 -39.087 38.683 4.246 1.00 0.00 C ATOM 679 CD GLU A 43 -39.473 37.542 5.168 1.00 0.00 C ATOM 680 OE1 GLU A 43 -40.586 36.999 5.005 1.00 0.00 O ATOM 681 OE2 GLU A 43 -38.663 37.194 6.052 1.00 0.00 O ATOM 0 H GLU A 43 -37.429 38.018 0.675 1.00 0.00 H new ATOM 0 HA GLU A 43 -39.722 39.528 1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -39.217 37.346 2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -37.585 37.847 2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -38.298 39.272 4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -39.943 39.344 4.114 1.00 0.00 H new ATOM 688 N GLU A 44 -36.654 40.392 2.525 1.00 0.00 N ATOM 689 CA GLU A 44 -35.843 41.517 2.978 1.00 0.00 C ATOM 690 C GLU A 44 -35.951 42.690 2.009 1.00 0.00 C ATOM 691 O GLU A 44 -35.988 43.849 2.423 1.00 0.00 O ATOM 692 CB GLU A 44 -34.380 41.094 3.122 1.00 0.00 C ATOM 693 CG GLU A 44 -33.709 40.760 1.799 1.00 0.00 C ATOM 694 CD GLU A 44 -32.520 39.834 1.965 1.00 0.00 C ATOM 695 OE1 GLU A 44 -32.476 39.102 2.976 1.00 0.00 O ATOM 696 OE2 GLU A 44 -31.634 39.842 1.085 1.00 0.00 O ATOM 0 H GLU A 44 -36.144 39.514 2.433 1.00 0.00 H new ATOM 0 HA GLU A 44 -36.219 41.835 3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -33.825 41.896 3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -34.325 40.225 3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -34.437 40.295 1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -33.382 41.682 1.319 1.00 0.00 H new ATOM 703 N ALA A 45 -36.002 42.381 0.717 1.00 0.00 N ATOM 704 CA ALA A 45 -36.107 43.409 -0.311 1.00 0.00 C ATOM 705 C ALA A 45 -37.488 44.056 -0.301 1.00 0.00 C ATOM 706 O ALA A 45 -37.620 45.261 -0.513 1.00 0.00 O ATOM 707 CB ALA A 45 -35.809 42.818 -1.681 1.00 0.00 C ATOM 0 H ALA A 45 -35.972 41.427 0.358 1.00 0.00 H new ATOM 0 HA ALA A 45 -35.370 44.182 -0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -35.891 43.597 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -34.799 42.409 -1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -36.523 42.024 -1.898 1.00 0.00 H new ATOM 713 N GLU A 46 -38.514 43.247 -0.054 1.00 0.00 N ATOM 714 CA GLU A 46 -39.885 43.742 -0.019 1.00 0.00 C ATOM 715 C GLU A 46 -40.101 44.661 1.180 1.00 0.00 C ATOM 716 O GLU A 46 -40.623 45.767 1.043 1.00 0.00 O ATOM 717 CB GLU A 46 -40.871 42.573 0.036 1.00 0.00 C ATOM 718 CG GLU A 46 -41.355 42.120 -1.331 1.00 0.00 C ATOM 719 CD GLU A 46 -42.061 40.779 -1.285 1.00 0.00 C ATOM 720 OE1 GLU A 46 -42.442 40.346 -0.178 1.00 0.00 O ATOM 721 OE2 GLU A 46 -42.232 40.162 -2.358 1.00 0.00 O ATOM 0 H GLU A 46 -38.422 42.247 0.125 1.00 0.00 H new ATOM 0 HA GLU A 46 -40.061 44.314 -0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -40.396 41.732 0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -41.732 42.863 0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -42.033 42.870 -1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -40.505 42.056 -2.010 1.00 0.00 H new ATOM 728 N LYS A 47 -39.696 44.194 2.356 1.00 0.00 N ATOM 729 CA LYS A 47 -39.843 44.972 3.580 1.00 0.00 C ATOM 730 C LYS A 47 -38.868 46.145 3.600 1.00 0.00 C ATOM 731 O LYS A 47 -39.237 47.265 3.956 1.00 0.00 O ATOM 732 CB LYS A 47 -39.612 44.084 4.805 1.00 0.00 C ATOM 733 CG LYS A 47 -38.268 43.377 4.799 1.00 0.00 C ATOM 734 CD LYS A 47 -38.369 41.981 5.390 1.00 0.00 C ATOM 735 CE LYS A 47 -37.541 41.851 6.659 1.00 0.00 C ATOM 736 NZ LYS A 47 -37.662 40.495 7.264 1.00 0.00 N ATOM 0 H LYS A 47 -39.263 43.280 2.487 1.00 0.00 H new ATOM 0 HA LYS A 47 -40.859 45.365 3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -39.688 44.694 5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -40.405 43.338 4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -37.894 43.314 3.777 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -37.546 43.962 5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -39.412 41.753 5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -38.030 41.249 4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -36.495 42.056 6.432 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -37.863 42.601 7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -37.097 40.452 8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -38.659 40.303 7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -37.315 39.782 6.591 1.00 0.00 H new ATOM 750 N ARG A 48 -37.624 45.882 3.214 1.00 0.00 N ATOM 751 CA ARG A 48 -36.597 46.916 3.187 1.00 0.00 C ATOM 752 C ARG A 48 -36.057 47.109 1.773 1.00 0.00 C ATOM 753 O ARG A 48 -34.983 46.612 1.433 1.00 0.00 O ATOM 754 CB ARG A 48 -35.453 46.554 4.136 1.00 0.00 C ATOM 755 CG ARG A 48 -35.544 47.241 5.489 1.00 0.00 C ATOM 756 CD ARG A 48 -35.886 46.254 6.594 1.00 0.00 C ATOM 757 NE ARG A 48 -35.460 46.732 7.906 1.00 0.00 N ATOM 758 CZ ARG A 48 -34.213 46.635 8.354 1.00 0.00 C ATOM 759 NH1 ARG A 48 -33.275 46.081 7.599 1.00 0.00 N ATOM 760 NH2 ARG A 48 -33.903 47.094 9.560 1.00 0.00 N ATOM 0 H ARG A 48 -37.303 44.961 2.915 1.00 0.00 H new ATOM 0 HA ARG A 48 -37.050 47.851 3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -35.444 45.474 4.286 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -34.505 46.818 3.667 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -34.595 47.728 5.715 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -36.302 48.023 5.451 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -36.962 46.079 6.604 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -35.409 45.296 6.385 1.00 0.00 H new ATOM 0 HE ARG A 48 -36.158 47.164 8.512 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -33.510 45.728 6.671 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -32.318 46.008 7.946 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -34.622 47.521 10.143 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -32.945 47.019 9.904 1.00 0.00 H new ATOM 774 N LYS A 49 -36.809 47.834 0.952 1.00 0.00 N ATOM 775 CA LYS A 49 -36.407 48.095 -0.425 1.00 0.00 C ATOM 776 C LYS A 49 -35.020 48.728 -0.477 1.00 0.00 C ATOM 777 O LYS A 49 -34.535 49.264 0.520 1.00 0.00 O ATOM 778 CB LYS A 49 -37.423 49.011 -1.111 1.00 0.00 C ATOM 779 CG LYS A 49 -37.639 50.329 -0.387 1.00 0.00 C ATOM 780 CD LYS A 49 -38.332 51.346 -1.277 1.00 0.00 C ATOM 781 CE LYS A 49 -38.805 52.553 -0.481 1.00 0.00 C ATOM 782 NZ LYS A 49 -38.296 53.830 -1.054 1.00 0.00 N ATOM 0 H LYS A 49 -37.701 48.252 1.217 1.00 0.00 H new ATOM 0 HA LYS A 49 -36.372 47.142 -0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -37.087 49.215 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -38.376 48.488 -1.189 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -38.237 50.160 0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -36.679 50.726 -0.058 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -37.648 51.671 -2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -39.184 50.878 -1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -39.895 52.572 -0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -38.471 52.460 0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -38.640 54.628 -0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -37.256 53.823 -1.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -38.636 53.932 -2.032 1.00 0.00 H new ATOM 796 N ALA A 50 -34.388 48.665 -1.644 1.00 0.00 N ATOM 797 CA ALA A 50 -33.059 49.235 -1.826 1.00 0.00 C ATOM 798 C ALA A 50 -32.750 49.447 -3.304 1.00 0.00 C ATOM 799 O ALA A 50 -32.232 50.492 -3.695 1.00 0.00 O ATOM 800 CB ALA A 50 -32.009 48.339 -1.187 1.00 0.00 C ATOM 0 H ALA A 50 -34.775 48.224 -2.478 1.00 0.00 H new ATOM 0 HA ALA A 50 -33.037 50.208 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -31.021 48.777 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -32.212 48.244 -0.120 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -32.040 47.353 -1.652 1.00 0.00 H new ATOM 806 N GLU A 51 -33.070 48.447 -4.120 1.00 0.00 N ATOM 807 CA GLU A 51 -32.824 48.525 -5.555 1.00 0.00 C ATOM 808 C GLU A 51 -34.137 48.553 -6.331 1.00 0.00 C ATOM 809 O GLU A 51 -34.347 49.416 -7.184 1.00 0.00 O ATOM 810 CB GLU A 51 -31.973 47.339 -6.014 1.00 0.00 C ATOM 811 CG GLU A 51 -30.491 47.658 -6.119 1.00 0.00 C ATOM 812 CD GLU A 51 -29.649 46.430 -6.409 1.00 0.00 C ATOM 813 OE1 GLU A 51 -29.466 46.106 -7.601 1.00 0.00 O ATOM 814 OE2 GLU A 51 -29.175 45.794 -5.445 1.00 0.00 O ATOM 0 H GLU A 51 -33.500 47.575 -3.812 1.00 0.00 H new ATOM 0 HA GLU A 51 -32.284 49.450 -5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -32.110 46.513 -5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -32.333 46.999 -6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -30.337 48.394 -6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -30.154 48.113 -5.188 1.00 0.00 H new ATOM 821 N ILE A 52 -35.016 47.603 -6.030 1.00 0.00 N ATOM 822 CA ILE A 52 -36.309 47.520 -6.698 1.00 0.00 C ATOM 823 C ILE A 52 -37.101 48.812 -6.528 1.00 0.00 C ATOM 824 O ILE A 52 -36.955 49.514 -5.528 1.00 0.00 O ATOM 825 CB ILE A 52 -37.145 46.343 -6.161 1.00 0.00 C ATOM 826 CG1 ILE A 52 -36.364 45.034 -6.287 1.00 0.00 C ATOM 827 CG2 ILE A 52 -38.469 46.251 -6.905 1.00 0.00 C ATOM 828 CD1 ILE A 52 -36.033 44.664 -7.716 1.00 0.00 C ATOM 0 H ILE A 52 -34.856 46.880 -5.328 1.00 0.00 H new ATOM 0 HA ILE A 52 -36.107 47.359 -7.757 1.00 0.00 H new ATOM 0 HB ILE A 52 -37.355 46.518 -5.106 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -35.438 45.116 -5.718 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -36.945 44.229 -5.837 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -39.049 45.415 -6.514 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -39.029 47.176 -6.767 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -38.279 46.096 -7.967 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -35.479 43.725 -7.730 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -36.955 44.549 -8.285 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -35.426 45.450 -8.164 1.00 0.00 H new TER 840 ILE A 52