USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 621 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 109:sc= 1.27 USER MOD Single : A 4 LYS NZ :NH3+ -143:sc= 1.17 (180deg=1.03) USER MOD Single : A 12 MET CE :methyl 175:sc= -2.64 (180deg=-2.7) USER MOD Single : A 13 THR OG1 : rot -30:sc= 0.725 USER MOD Single : A 19 ASN : amide:sc= -0.088 K(o=-0.088,f=-0.83) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.09 K(o=1.1,f=-0.0045) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.2) USER MOD Single : A 37 ASN : amide:sc= -1.56 K(o=-1.6,f=0.064) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 45:sc= 0.509 USER MOD Single : A 47 TYR OH : rot 57:sc= 1.27 USER MOD Single : A 48 ASN : amide:sc= 1.39 K(o=1.4,f=-5.8!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0.605 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 58 LYS NZ :NH3+ -170:sc= 1.13 (180deg=0.898) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 127:sc= 0.665 USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0846) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= 1.27 (180deg=1.05) USER MOD Single : A 74 GLN : amide:sc= 1.13 K(o=1.1,f=-1.2) USER MOD Single : A 76 SER OG : rot -56:sc= 0.458 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.070 14.576 11.366 1.00 10.00 N ATOM 2 CA MET A 1 4.004 14.907 10.276 1.00 10.00 C ATOM 3 C MET A 1 4.084 13.709 9.332 1.00 10.00 C ATOM 4 O MET A 1 5.037 12.940 9.402 1.00 10.00 O ATOM 5 CB MET A 1 5.395 15.272 10.824 1.00 10.00 C ATOM 6 CG MET A 1 5.451 16.630 11.534 1.00 10.00 C ATOM 7 SD MET A 1 7.094 17.028 12.187 1.00 10.00 S ATOM 8 CE MET A 1 6.800 18.693 12.823 1.00 10.00 C ATOM 0 H1 MET A 1 3.002 15.381 12.021 1.00 10.00 H new ATOM 0 H2 MET A 1 2.131 14.372 10.969 1.00 10.00 H new ATOM 0 H3 MET A 1 3.417 13.741 11.879 1.00 10.00 H new ATOM 0 HA MET A 1 3.639 15.780 9.735 1.00 10.00 H new ATOM 0 HB2 MET A 1 5.714 14.497 11.520 1.00 10.00 H new ATOM 0 HB3 MET A 1 6.109 15.275 10.000 1.00 10.00 H new ATOM 0 HG2 MET A 1 5.146 17.410 10.837 1.00 10.00 H new ATOM 0 HG3 MET A 1 4.731 16.635 12.352 1.00 10.00 H new ATOM 0 HE1 MET A 1 7.719 19.083 13.261 1.00 10.00 H new ATOM 0 HE2 MET A 1 6.482 19.343 12.008 1.00 10.00 H new ATOM 0 HE3 MET A 1 6.021 18.659 13.585 1.00 10.00 H new ATOM 20 N THR A 2 3.050 13.525 8.510 1.00 10.00 N ATOM 21 CA THR A 2 2.944 12.475 7.508 1.00 10.00 C ATOM 22 C THR A 2 2.683 13.159 6.164 1.00 10.00 C ATOM 23 O THR A 2 2.484 14.375 6.142 1.00 10.00 O ATOM 24 CB THR A 2 1.812 11.515 7.912 1.00 10.00 C ATOM 25 OG1 THR A 2 0.627 12.244 8.196 1.00 10.00 O ATOM 26 CG2 THR A 2 2.200 10.719 9.161 1.00 10.00 C ATOM 0 H THR A 2 2.231 14.132 8.529 1.00 10.00 H new ATOM 0 HA THR A 2 3.854 11.881 7.428 1.00 10.00 H new ATOM 0 HB THR A 2 1.641 10.832 7.080 1.00 10.00 H new ATOM 0 HG1 THR A 2 -0.032 12.085 7.489 1.00 10.00 H new ATOM 0 HG21 THR A 2 1.386 10.046 9.431 1.00 10.00 H new ATOM 0 HG22 THR A 2 3.099 10.138 8.957 1.00 10.00 H new ATOM 0 HG23 THR A 2 2.391 11.406 9.985 1.00 10.00 H new ATOM 34 N GLU A 3 2.704 12.404 5.064 1.00 10.00 N ATOM 35 CA GLU A 3 2.397 12.864 3.728 1.00 10.00 C ATOM 36 C GLU A 3 1.485 11.805 3.118 1.00 10.00 C ATOM 37 O GLU A 3 1.569 10.631 3.485 1.00 10.00 O ATOM 38 CB GLU A 3 3.690 13.035 2.912 1.00 10.00 C ATOM 39 CG GLU A 3 4.363 11.680 2.614 1.00 10.00 C ATOM 40 CD GLU A 3 5.742 11.780 1.976 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.255 12.914 1.875 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.277 10.697 1.640 1.00 10.00 O ATOM 0 H GLU A 3 2.947 11.414 5.092 1.00 10.00 H new ATOM 0 HA GLU A 3 1.906 13.837 3.735 1.00 10.00 H new ATOM 0 HB2 GLU A 3 3.463 13.542 1.974 1.00 10.00 H new ATOM 0 HB3 GLU A 3 4.384 13.673 3.460 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.448 11.120 3.545 1.00 10.00 H new ATOM 0 HG3 GLU A 3 3.713 11.105 1.954 1.00 10.00 H new ATOM 49 N LYS A 4 0.628 12.224 2.196 1.00 10.00 N ATOM 50 CA LYS A 4 -0.250 11.349 1.430 1.00 10.00 C ATOM 51 C LYS A 4 0.439 10.951 0.121 1.00 10.00 C ATOM 52 O LYS A 4 0.806 11.808 -0.681 1.00 10.00 O ATOM 53 CB LYS A 4 -1.618 12.000 1.176 1.00 10.00 C ATOM 54 CG LYS A 4 -2.149 12.733 2.416 1.00 10.00 C ATOM 55 CD LYS A 4 -3.677 12.716 2.503 1.00 10.00 C ATOM 56 CE LYS A 4 -4.131 13.666 3.624 1.00 10.00 C ATOM 57 NZ LYS A 4 -5.081 13.028 4.555 1.00 10.00 N ATOM 0 H LYS A 4 0.522 13.209 1.954 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.441 10.448 2.013 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -1.536 12.703 0.347 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -2.333 11.234 0.874 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -1.733 12.272 3.312 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -1.802 13.766 2.399 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -4.111 13.024 1.552 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -4.031 11.704 2.702 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -3.259 14.010 4.180 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -4.596 14.547 3.183 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -5.796 13.723 4.851 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -5.549 12.230 4.080 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -4.568 12.681 5.391 1.00 10.00 H new ATOM 71 N ALA A 5 0.615 9.649 -0.099 1.00 10.00 N ATOM 72 CA ALA A 5 1.338 9.072 -1.219 1.00 10.00 C ATOM 73 C ALA A 5 0.386 8.163 -1.982 1.00 10.00 C ATOM 74 O ALA A 5 -0.488 7.564 -1.354 1.00 10.00 O ATOM 75 CB ALA A 5 2.536 8.305 -0.670 1.00 10.00 C ATOM 0 H ALA A 5 0.238 8.940 0.530 1.00 10.00 H new ATOM 0 HA ALA A 5 1.705 9.837 -1.904 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.094 7.863 -1.495 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.183 8.987 -0.119 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.188 7.516 -0.003 1.00 10.00 H new ATOM 81 N GLU A 6 0.515 8.075 -3.312 1.00 10.00 N ATOM 82 CA GLU A 6 -0.428 7.347 -4.134 1.00 10.00 C ATOM 83 C GLU A 6 0.400 6.323 -4.878 1.00 10.00 C ATOM 84 O GLU A 6 1.445 6.684 -5.434 1.00 10.00 O ATOM 85 CB GLU A 6 -1.111 8.289 -5.124 1.00 10.00 C ATOM 86 CG GLU A 6 -2.348 7.630 -5.742 1.00 10.00 C ATOM 87 CD GLU A 6 -2.734 8.230 -7.092 1.00 10.00 C ATOM 88 OE1 GLU A 6 -2.387 9.409 -7.320 1.00 10.00 O ATOM 89 OE2 GLU A 6 -3.336 7.476 -7.890 1.00 10.00 O ATOM 0 H GLU A 6 1.276 8.508 -3.835 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.214 6.885 -3.536 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.400 9.209 -4.616 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.410 8.566 -5.911 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.161 6.563 -5.865 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -3.187 7.729 -5.054 1.00 10.00 H new ATOM 96 N PHE A 7 -0.061 5.076 -4.865 1.00 10.00 N ATOM 97 CA PHE A 7 0.592 3.945 -5.482 1.00 10.00 C ATOM 98 C PHE A 7 -0.407 3.168 -6.327 1.00 10.00 C ATOM 99 O PHE A 7 -1.574 3.060 -5.954 1.00 10.00 O ATOM 100 CB PHE A 7 1.162 3.028 -4.404 1.00 10.00 C ATOM 101 CG PHE A 7 1.902 3.698 -3.262 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.835 4.712 -3.529 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.750 3.237 -1.945 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.518 5.348 -2.484 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.489 3.825 -0.907 1.00 10.00 C ATOM 106 CZ PHE A 7 3.343 4.908 -1.165 1.00 10.00 C ATOM 0 H PHE A 7 -0.935 4.824 -4.404 1.00 10.00 H new ATOM 0 HA PHE A 7 1.400 4.306 -6.118 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.342 2.446 -3.983 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.841 2.322 -4.882 1.00 10.00 H new ATOM 0 HD1 PHE A 7 3.028 5.005 -4.550 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.065 2.430 -1.731 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.178 6.176 -2.695 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.400 3.441 0.098 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.861 5.398 -0.354 1.00 10.00 H new ATOM 116 N ASP A 8 0.082 2.594 -7.424 1.00 10.00 N ATOM 117 CA ASP A 8 -0.646 1.757 -8.357 1.00 10.00 C ATOM 118 C ASP A 8 -0.409 0.352 -7.847 1.00 10.00 C ATOM 119 O ASP A 8 0.726 0.067 -7.460 1.00 10.00 O ATOM 120 CB ASP A 8 -0.006 1.884 -9.749 1.00 10.00 C ATOM 121 CG ASP A 8 -1.016 1.803 -10.883 1.00 10.00 C ATOM 122 OD1 ASP A 8 -1.849 2.732 -10.965 1.00 10.00 O ATOM 123 OD2 ASP A 8 -0.886 0.872 -11.702 1.00 10.00 O ATOM 0 H ASP A 8 1.058 2.712 -7.696 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.701 2.020 -8.431 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.526 2.833 -9.812 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.735 1.095 -9.874 1.00 10.00 H new ATOM 128 N ILE A 9 -1.431 -0.496 -7.808 1.00 10.00 N ATOM 129 CA ILE A 9 -1.264 -1.896 -7.457 1.00 10.00 C ATOM 130 C ILE A 9 -1.481 -2.751 -8.701 1.00 10.00 C ATOM 131 O ILE A 9 -2.332 -2.413 -9.518 1.00 10.00 O ATOM 132 CB ILE A 9 -2.214 -2.273 -6.323 1.00 10.00 C ATOM 133 CG1 ILE A 9 -2.221 -1.129 -5.298 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.706 -3.573 -5.686 1.00 10.00 C ATOM 135 CD1 ILE A 9 -2.826 -1.593 -3.991 1.00 10.00 C ATOM 0 H ILE A 9 -2.393 -0.231 -8.018 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.252 -2.075 -7.095 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.230 -2.428 -6.687 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -1.203 -0.777 -5.130 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -2.789 -0.285 -5.690 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.370 -3.863 -4.872 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.687 -4.363 -6.437 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.700 -3.418 -5.296 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -2.823 -0.770 -3.276 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.851 -1.922 -4.161 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -2.240 -2.422 -3.593 1.00 10.00 H new ATOM 147 N GLU A 10 -0.735 -3.852 -8.833 1.00 10.00 N ATOM 148 CA GLU A 10 -0.969 -4.850 -9.862 1.00 10.00 C ATOM 149 C GLU A 10 -1.391 -6.171 -9.211 1.00 10.00 C ATOM 150 O GLU A 10 -0.550 -6.893 -8.665 1.00 10.00 O ATOM 151 CB GLU A 10 0.284 -5.072 -10.715 1.00 10.00 C ATOM 152 CG GLU A 10 1.004 -3.798 -11.200 1.00 10.00 C ATOM 153 CD GLU A 10 2.416 -3.657 -10.628 1.00 10.00 C ATOM 154 OE1 GLU A 10 3.346 -4.226 -11.244 1.00 10.00 O ATOM 155 OE2 GLU A 10 2.561 -2.983 -9.587 1.00 10.00 O ATOM 0 H GLU A 10 0.051 -4.070 -8.221 1.00 10.00 H new ATOM 0 HA GLU A 10 -1.764 -4.488 -10.514 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.991 -5.668 -10.138 1.00 10.00 H new ATOM 0 HB3 GLU A 10 0.006 -5.663 -11.588 1.00 10.00 H new ATOM 0 HG2 GLU A 10 1.058 -3.810 -12.289 1.00 10.00 H new ATOM 0 HG3 GLU A 10 0.415 -2.925 -10.919 1.00 10.00 H new ATOM 162 N GLY A 11 -2.678 -6.499 -9.312 1.00 10.00 N ATOM 163 CA GLY A 11 -3.228 -7.818 -9.020 1.00 10.00 C ATOM 164 C GLY A 11 -4.704 -7.788 -8.614 1.00 10.00 C ATOM 165 O GLY A 11 -5.555 -8.246 -9.371 1.00 10.00 O ATOM 0 H GLY A 11 -3.389 -5.830 -9.609 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.114 -8.453 -9.898 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.648 -8.275 -8.218 1.00 10.00 H new ATOM 169 N MET A 12 -4.974 -7.322 -7.386 1.00 10.00 N ATOM 170 CA MET A 12 -6.277 -7.190 -6.737 1.00 10.00 C ATOM 171 C MET A 12 -7.384 -8.100 -7.287 1.00 10.00 C ATOM 172 O MET A 12 -8.352 -7.635 -7.887 1.00 10.00 O ATOM 173 CB MET A 12 -6.700 -5.721 -6.742 1.00 10.00 C ATOM 174 CG MET A 12 -5.535 -4.811 -6.335 1.00 10.00 C ATOM 175 SD MET A 12 -5.986 -3.138 -5.821 1.00 10.00 S ATOM 176 CE MET A 12 -6.883 -3.566 -4.325 1.00 10.00 C ATOM 0 H MET A 12 -4.222 -7.003 -6.775 1.00 10.00 H new ATOM 0 HA MET A 12 -6.142 -7.543 -5.714 1.00 10.00 H new ATOM 0 HB2 MET A 12 -7.052 -5.444 -7.736 1.00 10.00 H new ATOM 0 HB3 MET A 12 -7.535 -5.577 -6.056 1.00 10.00 H new ATOM 0 HG2 MET A 12 -4.994 -5.288 -5.518 1.00 10.00 H new ATOM 0 HG3 MET A 12 -4.844 -4.739 -7.175 1.00 10.00 H new ATOM 0 HE1 MET A 12 -7.174 -2.655 -3.802 1.00 10.00 H new ATOM 0 HE2 MET A 12 -7.775 -4.135 -4.586 1.00 10.00 H new ATOM 0 HE3 MET A 12 -6.245 -4.168 -3.678 1.00 10.00 H new ATOM 186 N THR A 13 -7.276 -9.403 -7.034 1.00 10.00 N ATOM 187 CA THR A 13 -8.212 -10.369 -7.589 1.00 10.00 C ATOM 188 C THR A 13 -9.571 -10.267 -6.893 1.00 10.00 C ATOM 189 O THR A 13 -10.598 -10.499 -7.530 1.00 10.00 O ATOM 190 CB THR A 13 -7.626 -11.785 -7.527 1.00 10.00 C ATOM 191 OG1 THR A 13 -7.358 -12.133 -6.190 1.00 10.00 O ATOM 192 CG2 THR A 13 -6.321 -11.880 -8.324 1.00 10.00 C ATOM 0 H THR A 13 -6.548 -9.811 -6.447 1.00 10.00 H new ATOM 0 HA THR A 13 -8.377 -10.138 -8.641 1.00 10.00 H new ATOM 0 HB THR A 13 -8.359 -12.466 -7.959 1.00 10.00 H new ATOM 0 HG1 THR A 13 -7.137 -11.326 -5.680 1.00 10.00 H new ATOM 0 HG21 THR A 13 -5.929 -12.895 -8.261 1.00 10.00 H new ATOM 0 HG22 THR A 13 -6.513 -11.629 -9.367 1.00 10.00 H new ATOM 0 HG23 THR A 13 -5.591 -11.184 -7.911 1.00 10.00 H new ATOM 200 N CYS A 14 -9.592 -9.913 -5.602 1.00 10.00 N ATOM 201 CA CYS A 14 -10.821 -9.725 -4.853 1.00 10.00 C ATOM 202 C CYS A 14 -10.628 -8.677 -3.760 1.00 10.00 C ATOM 203 O CYS A 14 -9.502 -8.341 -3.393 1.00 10.00 O ATOM 204 CB CYS A 14 -11.259 -11.069 -4.259 1.00 10.00 C ATOM 205 SG CYS A 14 -10.128 -11.731 -3.009 1.00 10.00 S ATOM 0 H CYS A 14 -8.748 -9.750 -5.053 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.602 -9.362 -5.521 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -12.247 -10.952 -3.814 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -11.357 -11.796 -5.066 1.00 10.00 H new ATOM 210 N ALA A 15 -11.730 -8.192 -3.186 1.00 10.00 N ATOM 211 CA ALA A 15 -11.688 -7.271 -2.056 1.00 10.00 C ATOM 212 C ALA A 15 -10.827 -7.823 -0.914 1.00 10.00 C ATOM 213 O ALA A 15 -10.219 -7.063 -0.163 1.00 10.00 O ATOM 214 CB ALA A 15 -13.111 -6.987 -1.571 1.00 10.00 C ATOM 0 H ALA A 15 -12.674 -8.428 -3.493 1.00 10.00 H new ATOM 0 HA ALA A 15 -11.229 -6.340 -2.388 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -13.077 -6.299 -0.727 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.689 -6.540 -2.380 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.582 -7.919 -1.260 1.00 10.00 H new ATOM 220 N ALA A 16 -10.759 -9.150 -0.775 1.00 10.00 N ATOM 221 CA ALA A 16 -9.969 -9.797 0.257 1.00 10.00 C ATOM 222 C ALA A 16 -8.459 -9.616 0.035 1.00 10.00 C ATOM 223 O ALA A 16 -7.699 -9.720 1.002 1.00 10.00 O ATOM 224 CB ALA A 16 -10.360 -11.272 0.357 1.00 10.00 C ATOM 0 H ALA A 16 -11.256 -9.802 -1.382 1.00 10.00 H new ATOM 0 HA ALA A 16 -10.189 -9.314 1.209 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -9.765 -11.754 1.133 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -11.418 -11.352 0.609 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -10.177 -11.763 -0.599 1.00 10.00 H new ATOM 230 N CYS A 17 -8.020 -9.363 -1.207 1.00 10.00 N ATOM 231 CA CYS A 17 -6.659 -8.917 -1.501 1.00 10.00 C ATOM 232 C CYS A 17 -6.466 -7.512 -0.952 1.00 10.00 C ATOM 233 O CYS A 17 -5.521 -7.239 -0.215 1.00 10.00 O ATOM 234 CB CYS A 17 -6.406 -8.884 -3.013 1.00 10.00 C ATOM 235 SG CYS A 17 -6.218 -10.511 -3.770 1.00 10.00 S ATOM 0 H CYS A 17 -8.605 -9.464 -2.036 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.962 -9.616 -1.038 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -7.233 -8.365 -3.497 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.506 -8.300 -3.206 1.00 10.00 H new ATOM 240 N ALA A 18 -7.360 -6.616 -1.353 1.00 10.00 N ATOM 241 CA ALA A 18 -7.318 -5.215 -0.981 1.00 10.00 C ATOM 242 C ALA A 18 -7.283 -5.053 0.541 1.00 10.00 C ATOM 243 O ALA A 18 -6.413 -4.378 1.084 1.00 10.00 O ATOM 244 CB ALA A 18 -8.509 -4.538 -1.649 1.00 10.00 C ATOM 0 H ALA A 18 -8.147 -6.852 -1.957 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.404 -4.732 -1.328 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.515 -3.478 -1.394 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.432 -4.651 -2.730 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.433 -5.000 -1.301 1.00 10.00 H new ATOM 250 N ASN A 19 -8.175 -5.742 1.249 1.00 10.00 N ATOM 251 CA ASN A 19 -8.153 -5.827 2.707 1.00 10.00 C ATOM 252 C ASN A 19 -6.744 -6.161 3.221 1.00 10.00 C ATOM 253 O ASN A 19 -6.238 -5.529 4.147 1.00 10.00 O ATOM 254 CB ASN A 19 -9.166 -6.890 3.149 1.00 10.00 C ATOM 255 CG ASN A 19 -9.281 -6.987 4.668 1.00 10.00 C ATOM 256 OD1 ASN A 19 -8.380 -7.483 5.337 1.00 10.00 O ATOM 257 ND2 ASN A 19 -10.407 -6.549 5.224 1.00 10.00 N ATOM 0 H ASN A 19 -8.941 -6.262 0.822 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.426 -4.861 3.132 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -10.143 -6.654 2.728 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.871 -7.859 2.747 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -10.539 -6.621 6.233 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.138 -6.141 4.642 1.00 10.00 H new ATOM 264 N ARG A 20 -6.091 -7.142 2.588 1.00 10.00 N ATOM 265 CA ARG A 20 -4.746 -7.563 2.934 1.00 10.00 C ATOM 266 C ARG A 20 -3.732 -6.437 2.712 1.00 10.00 C ATOM 267 O ARG A 20 -2.810 -6.310 3.516 1.00 10.00 O ATOM 268 CB ARG A 20 -4.387 -8.833 2.148 1.00 10.00 C ATOM 269 CG ARG A 20 -4.248 -10.063 3.050 1.00 10.00 C ATOM 270 CD ARG A 20 -4.414 -11.347 2.228 1.00 10.00 C ATOM 271 NE ARG A 20 -5.820 -11.501 1.826 1.00 10.00 N ATOM 272 CZ ARG A 20 -6.483 -12.656 1.693 1.00 10.00 C ATOM 273 NH1 ARG A 20 -5.822 -13.812 1.580 1.00 10.00 N ATOM 274 NH2 ARG A 20 -7.815 -12.628 1.693 1.00 10.00 N ATOM 0 H ARG A 20 -6.495 -7.667 1.812 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.709 -7.799 3.998 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -5.155 -9.022 1.398 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.452 -8.672 1.612 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.272 -10.058 3.536 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -4.998 -10.030 3.840 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -3.776 -11.310 1.345 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -4.097 -12.209 2.815 1.00 10.00 H new ATOM 0 HE ARG A 20 -6.340 -10.646 1.630 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -4.802 -13.820 1.595 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -6.337 -14.686 1.479 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -8.306 -11.740 1.793 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -8.343 -13.495 1.593 1.00 10.00 H new ATOM 288 N ILE A 21 -3.901 -5.613 1.666 1.00 10.00 N ATOM 289 CA ILE A 21 -3.076 -4.416 1.490 1.00 10.00 C ATOM 290 C ILE A 21 -3.149 -3.598 2.770 1.00 10.00 C ATOM 291 O ILE A 21 -2.126 -3.351 3.403 1.00 10.00 O ATOM 292 CB ILE A 21 -3.506 -3.539 0.292 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.472 -4.268 -1.052 1.00 10.00 C ATOM 294 CG2 ILE A 21 -2.680 -2.251 0.207 1.00 10.00 C ATOM 295 CD1 ILE A 21 -2.054 -4.521 -1.566 1.00 10.00 C ATOM 0 H ILE A 21 -4.598 -5.756 0.935 1.00 10.00 H new ATOM 0 HA ILE A 21 -2.059 -4.745 1.276 1.00 10.00 H new ATOM 0 HB ILE A 21 -4.548 -3.286 0.490 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -3.991 -5.221 -0.954 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -4.019 -3.681 -1.790 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -3.012 -1.662 -0.648 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -2.814 -1.672 1.121 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -1.626 -2.502 0.087 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -2.101 -5.041 -2.523 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -1.539 -3.569 -1.696 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.510 -5.133 -0.847 1.00 10.00 H new ATOM 307 N GLU A 22 -4.362 -3.200 3.161 1.00 10.00 N ATOM 308 CA GLU A 22 -4.544 -2.326 4.306 1.00 10.00 C ATOM 309 C GLU A 22 -3.926 -2.964 5.543 1.00 10.00 C ATOM 310 O GLU A 22 -3.193 -2.308 6.281 1.00 10.00 O ATOM 311 CB GLU A 22 -6.028 -2.014 4.522 1.00 10.00 C ATOM 312 CG GLU A 22 -6.660 -1.478 3.236 1.00 10.00 C ATOM 313 CD GLU A 22 -7.965 -0.729 3.478 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.554 -0.937 4.561 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.344 0.042 2.569 1.00 10.00 O ATOM 0 H GLU A 22 -5.228 -3.473 2.697 1.00 10.00 H new ATOM 0 HA GLU A 22 -4.037 -1.380 4.115 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.551 -2.915 4.842 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -6.138 -1.280 5.321 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.953 -0.813 2.741 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.846 -2.309 2.556 1.00 10.00 H new ATOM 322 N LYS A 23 -4.197 -4.254 5.746 1.00 10.00 N ATOM 323 CA LYS A 23 -3.679 -5.010 6.875 1.00 10.00 C ATOM 324 C LYS A 23 -2.148 -4.968 6.927 1.00 10.00 C ATOM 325 O LYS A 23 -1.567 -4.705 7.978 1.00 10.00 O ATOM 326 CB LYS A 23 -4.184 -6.463 6.822 1.00 10.00 C ATOM 327 CG LYS A 23 -5.002 -6.827 8.069 1.00 10.00 C ATOM 328 CD LYS A 23 -5.010 -8.340 8.328 1.00 10.00 C ATOM 329 CE LYS A 23 -3.712 -8.777 9.033 1.00 10.00 C ATOM 330 NZ LYS A 23 -3.684 -10.230 9.302 1.00 10.00 N ATOM 0 H LYS A 23 -4.788 -4.804 5.123 1.00 10.00 H new ATOM 0 HA LYS A 23 -4.049 -4.544 7.788 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.797 -6.603 5.932 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.335 -7.140 6.734 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -4.589 -6.313 8.937 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -6.026 -6.474 7.947 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -5.871 -8.605 8.942 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -5.115 -8.875 7.384 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.856 -8.507 8.414 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.610 -8.233 9.972 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -2.793 -10.478 9.777 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -4.485 -10.485 9.914 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.754 -10.751 8.404 1.00 10.00 H new ATOM 344 N ARG A 24 -1.484 -5.269 5.808 1.00 10.00 N ATOM 345 CA ARG A 24 -0.026 -5.274 5.768 1.00 10.00 C ATOM 346 C ARG A 24 0.487 -3.863 5.994 1.00 10.00 C ATOM 347 O ARG A 24 1.365 -3.658 6.826 1.00 10.00 O ATOM 348 CB ARG A 24 0.483 -5.813 4.427 1.00 10.00 C ATOM 349 CG ARG A 24 1.730 -6.698 4.540 1.00 10.00 C ATOM 350 CD ARG A 24 1.449 -8.074 5.159 1.00 10.00 C ATOM 351 NE ARG A 24 2.479 -9.047 4.752 1.00 10.00 N ATOM 352 CZ ARG A 24 2.433 -10.367 5.001 1.00 10.00 C ATOM 353 NH1 ARG A 24 1.430 -10.866 5.731 1.00 10.00 N ATOM 354 NH2 ARG A 24 3.381 -11.183 4.529 1.00 10.00 N ATOM 0 H ARG A 24 -1.933 -5.511 4.924 1.00 10.00 H new ATOM 0 HA ARG A 24 0.346 -5.929 6.556 1.00 10.00 H new ATOM 0 HB2 ARG A 24 -0.314 -6.385 3.952 1.00 10.00 H new ATOM 0 HB3 ARG A 24 0.706 -4.972 3.771 1.00 10.00 H new ATOM 0 HG2 ARG A 24 2.160 -6.835 3.548 1.00 10.00 H new ATOM 0 HG3 ARG A 24 2.478 -6.183 5.143 1.00 10.00 H new ATOM 0 HD2 ARG A 24 1.428 -7.992 6.246 1.00 10.00 H new ATOM 0 HD3 ARG A 24 0.466 -8.425 4.846 1.00 10.00 H new ATOM 0 HE ARG A 24 3.288 -8.691 4.243 1.00 10.00 H new ATOM 0 HH11 ARG A 24 0.706 -10.246 6.095 1.00 10.00 H new ATOM 0 HH12 ARG A 24 1.388 -11.867 5.924 1.00 10.00 H new ATOM 0 HH21 ARG A 24 4.149 -10.805 3.974 1.00 10.00 H new ATOM 0 HH22 ARG A 24 3.336 -12.183 4.724 1.00 10.00 H new ATOM 368 N LEU A 25 -0.062 -2.895 5.258 1.00 10.00 N ATOM 369 CA LEU A 25 0.401 -1.522 5.362 1.00 10.00 C ATOM 370 C LEU A 25 0.270 -1.026 6.803 1.00 10.00 C ATOM 371 O LEU A 25 1.213 -0.454 7.339 1.00 10.00 O ATOM 372 CB LEU A 25 -0.327 -0.616 4.364 1.00 10.00 C ATOM 373 CG LEU A 25 -0.007 -0.943 2.893 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.841 -0.023 2.003 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.469 -0.742 2.533 1.00 10.00 C ATOM 0 H LEU A 25 -0.820 -3.040 4.591 1.00 10.00 H new ATOM 0 HA LEU A 25 1.458 -1.487 5.099 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.402 -0.704 4.522 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -0.059 0.421 4.564 1.00 10.00 H new ATOM 0 HG LEU A 25 -0.240 -1.997 2.740 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.629 -0.239 0.956 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.900 -0.188 2.200 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.590 1.016 2.217 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.624 -0.990 1.483 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.747 0.298 2.705 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.087 -1.391 3.154 1.00 10.00 H new ATOM 387 N ASN A 26 -0.861 -1.314 7.455 1.00 10.00 N ATOM 388 CA ASN A 26 -1.090 -1.027 8.871 1.00 10.00 C ATOM 389 C ASN A 26 0.052 -1.530 9.756 1.00 10.00 C ATOM 390 O ASN A 26 0.354 -0.925 10.779 1.00 10.00 O ATOM 391 CB ASN A 26 -2.403 -1.660 9.352 1.00 10.00 C ATOM 392 CG ASN A 26 -3.567 -0.678 9.307 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.974 -0.138 10.330 1.00 10.00 O ATOM 394 ND2 ASN A 26 -4.125 -0.443 8.124 1.00 10.00 N ATOM 0 H ASN A 26 -1.658 -1.762 7.002 1.00 10.00 H new ATOM 0 HA ASN A 26 -1.145 0.058 8.959 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.636 -2.525 8.731 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.276 -2.024 10.372 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.913 0.201 8.051 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.766 -0.906 7.289 1.00 10.00 H new ATOM 401 N LYS A 27 0.663 -2.660 9.392 1.00 10.00 N ATOM 402 CA LYS A 27 1.752 -3.235 10.164 1.00 10.00 C ATOM 403 C LYS A 27 3.011 -2.351 10.139 1.00 10.00 C ATOM 404 O LYS A 27 3.853 -2.498 11.022 1.00 10.00 O ATOM 405 CB LYS A 27 2.048 -4.663 9.669 1.00 10.00 C ATOM 406 CG LYS A 27 2.741 -5.499 10.755 1.00 10.00 C ATOM 407 CD LYS A 27 3.249 -6.832 10.192 1.00 10.00 C ATOM 408 CE LYS A 27 3.900 -7.654 11.318 1.00 10.00 C ATOM 409 NZ LYS A 27 5.003 -8.509 10.828 1.00 10.00 N ATOM 0 H LYS A 27 0.415 -3.194 8.559 1.00 10.00 H new ATOM 0 HA LYS A 27 1.438 -3.287 11.207 1.00 10.00 H new ATOM 0 HB2 LYS A 27 1.118 -5.147 9.373 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.681 -4.619 8.782 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.576 -4.936 11.173 1.00 10.00 H new ATOM 0 HG3 LYS A 27 2.044 -5.688 11.571 1.00 10.00 H new ATOM 0 HD2 LYS A 27 2.423 -7.390 9.751 1.00 10.00 H new ATOM 0 HD3 LYS A 27 3.971 -6.650 9.396 1.00 10.00 H new ATOM 0 HE2 LYS A 27 4.281 -6.978 12.084 1.00 10.00 H new ATOM 0 HE3 LYS A 27 3.143 -8.279 11.792 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 5.409 -9.042 11.623 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 4.637 -9.173 10.116 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 5.740 -7.913 10.399 1.00 10.00 H new ATOM 423 N ILE A 28 3.183 -1.481 9.136 1.00 10.00 N ATOM 424 CA ILE A 28 4.424 -0.727 8.982 1.00 10.00 C ATOM 425 C ILE A 28 4.556 0.325 10.084 1.00 10.00 C ATOM 426 O ILE A 28 3.645 1.109 10.354 1.00 10.00 O ATOM 427 CB ILE A 28 4.511 -0.033 7.616 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.321 -0.995 6.433 1.00 10.00 C ATOM 429 CG2 ILE A 28 5.853 0.704 7.455 1.00 10.00 C ATOM 430 CD1 ILE A 28 3.814 -0.225 5.217 1.00 10.00 C ATOM 0 H ILE A 28 2.479 -1.285 8.424 1.00 10.00 H new ATOM 0 HA ILE A 28 5.239 -1.447 9.056 1.00 10.00 H new ATOM 0 HB ILE A 28 3.688 0.681 7.597 1.00 10.00 H new ATOM 0 HG12 ILE A 28 5.265 -1.486 6.196 1.00 10.00 H new ATOM 0 HG13 ILE A 28 3.612 -1.779 6.700 1.00 10.00 H new ATOM 0 HG21 ILE A 28 5.888 1.187 6.478 1.00 10.00 H new ATOM 0 HG22 ILE A 28 5.950 1.458 8.236 1.00 10.00 H new ATOM 0 HG23 ILE A 28 6.672 -0.010 7.536 1.00 10.00 H new ATOM 0 HD11 ILE A 28 3.681 -0.912 4.381 1.00 10.00 H new ATOM 0 HD12 ILE A 28 2.860 0.245 5.456 1.00 10.00 H new ATOM 0 HD13 ILE A 28 4.538 0.542 4.944 1.00 10.00 H new ATOM 442 N GLU A 29 5.744 0.380 10.662 1.00 10.00 N ATOM 443 CA GLU A 29 6.165 1.357 11.638 1.00 10.00 C ATOM 444 C GLU A 29 6.089 2.758 11.017 1.00 10.00 C ATOM 445 O GLU A 29 6.791 3.047 10.052 1.00 10.00 O ATOM 446 CB GLU A 29 7.591 1.002 12.093 1.00 10.00 C ATOM 447 CG GLU A 29 7.693 -0.410 12.710 1.00 10.00 C ATOM 448 CD GLU A 29 7.992 -1.546 11.727 1.00 10.00 C ATOM 449 OE1 GLU A 29 7.717 -1.372 10.519 1.00 10.00 O ATOM 450 OE2 GLU A 29 8.479 -2.589 12.214 1.00 10.00 O ATOM 0 H GLU A 29 6.477 -0.296 10.447 1.00 10.00 H new ATOM 0 HA GLU A 29 5.513 1.351 12.512 1.00 10.00 H new ATOM 0 HB2 GLU A 29 8.266 1.069 11.240 1.00 10.00 H new ATOM 0 HB3 GLU A 29 7.927 1.737 12.824 1.00 10.00 H new ATOM 0 HG2 GLU A 29 8.473 -0.398 13.471 1.00 10.00 H new ATOM 0 HG3 GLU A 29 6.755 -0.632 13.219 1.00 10.00 H new ATOM 457 N GLY A 30 5.213 3.616 11.547 1.00 10.00 N ATOM 458 CA GLY A 30 5.096 5.008 11.124 1.00 10.00 C ATOM 459 C GLY A 30 3.984 5.233 10.103 1.00 10.00 C ATOM 460 O GLY A 30 3.765 6.365 9.671 1.00 10.00 O ATOM 0 H GLY A 30 4.561 3.359 12.288 1.00 10.00 H new ATOM 0 HA2 GLY A 30 4.910 5.632 11.998 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.045 5.332 10.696 1.00 10.00 H new ATOM 464 N VAL A 31 3.238 4.189 9.728 1.00 10.00 N ATOM 465 CA VAL A 31 2.046 4.397 8.922 1.00 10.00 C ATOM 466 C VAL A 31 1.002 5.115 9.780 1.00 10.00 C ATOM 467 O VAL A 31 0.745 4.704 10.911 1.00 10.00 O ATOM 468 CB VAL A 31 1.537 3.054 8.372 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.865 2.199 9.454 1.00 10.00 C ATOM 470 CG2 VAL A 31 0.568 3.258 7.202 1.00 10.00 C ATOM 0 H VAL A 31 3.437 3.217 9.966 1.00 10.00 H new ATOM 0 HA VAL A 31 2.267 5.022 8.057 1.00 10.00 H new ATOM 0 HB VAL A 31 2.417 2.519 8.015 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.523 1.261 9.016 1.00 10.00 H new ATOM 0 HG12 VAL A 31 1.581 1.989 10.248 1.00 10.00 H new ATOM 0 HG13 VAL A 31 0.013 2.739 9.867 1.00 10.00 H new ATOM 0 HG21 VAL A 31 0.228 2.289 6.838 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -0.290 3.841 7.537 1.00 10.00 H new ATOM 0 HG23 VAL A 31 1.076 3.790 6.398 1.00 10.00 H new ATOM 480 N ALA A 32 0.391 6.180 9.261 1.00 10.00 N ATOM 481 CA ALA A 32 -0.800 6.740 9.896 1.00 10.00 C ATOM 482 C ALA A 32 -2.043 5.984 9.433 1.00 10.00 C ATOM 483 O ALA A 32 -2.879 5.617 10.256 1.00 10.00 O ATOM 484 CB ALA A 32 -0.921 8.236 9.623 1.00 10.00 C ATOM 0 H ALA A 32 0.695 6.665 8.417 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.708 6.620 10.975 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.817 8.623 10.109 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -0.044 8.750 10.017 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.989 8.405 8.548 1.00 10.00 H new ATOM 490 N ASN A 33 -2.179 5.742 8.125 1.00 10.00 N ATOM 491 CA ASN A 33 -3.338 5.067 7.554 1.00 10.00 C ATOM 492 C ASN A 33 -3.033 4.757 6.094 1.00 10.00 C ATOM 493 O ASN A 33 -2.014 5.199 5.575 1.00 10.00 O ATOM 494 CB ASN A 33 -4.627 5.897 7.713 1.00 10.00 C ATOM 495 CG ASN A 33 -4.470 7.340 7.243 1.00 10.00 C ATOM 496 OD1 ASN A 33 -4.131 8.214 8.032 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.711 7.616 5.965 1.00 10.00 N ATOM 0 H ASN A 33 -1.481 6.013 7.432 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.523 4.138 8.093 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -5.430 5.422 7.149 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -4.928 5.893 8.761 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -4.615 8.572 5.623 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.992 6.872 5.327 1.00 10.00 H new ATOM 504 N ALA A 34 -3.886 3.970 5.439 1.00 10.00 N ATOM 505 CA ALA A 34 -3.624 3.439 4.109 1.00 10.00 C ATOM 506 C ALA A 34 -4.860 2.814 3.447 1.00 10.00 C ATOM 507 O ALA A 34 -4.833 1.628 3.129 1.00 10.00 O ATOM 508 CB ALA A 34 -2.481 2.418 4.196 1.00 10.00 C ATOM 0 H ALA A 34 -4.786 3.683 5.824 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.339 4.276 3.471 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.277 2.014 3.204 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.585 2.906 4.580 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.768 1.607 4.866 1.00 10.00 H new ATOM 514 N PRO A 35 -5.938 3.582 3.221 1.00 10.00 N ATOM 515 CA PRO A 35 -7.110 3.074 2.530 1.00 10.00 C ATOM 516 C PRO A 35 -6.791 2.764 1.058 1.00 10.00 C ATOM 517 O PRO A 35 -6.198 3.605 0.372 1.00 10.00 O ATOM 518 CB PRO A 35 -8.174 4.168 2.674 1.00 10.00 C ATOM 519 CG PRO A 35 -7.356 5.449 2.848 1.00 10.00 C ATOM 520 CD PRO A 35 -6.123 4.969 3.612 1.00 10.00 C ATOM 0 HA PRO A 35 -7.460 2.132 2.953 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -8.817 4.220 1.795 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.821 3.987 3.532 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.089 5.891 1.888 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -7.907 6.207 3.406 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.248 5.568 3.360 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.270 5.057 4.688 1.00 10.00 H new ATOM 528 N VAL A 36 -7.187 1.576 0.575 1.00 10.00 N ATOM 529 CA VAL A 36 -7.068 1.180 -0.828 1.00 10.00 C ATOM 530 C VAL A 36 -8.415 1.291 -1.556 1.00 10.00 C ATOM 531 O VAL A 36 -9.470 1.147 -0.940 1.00 10.00 O ATOM 532 CB VAL A 36 -6.427 -0.215 -0.939 1.00 10.00 C ATOM 533 CG1 VAL A 36 -7.300 -1.323 -0.354 1.00 10.00 C ATOM 534 CG2 VAL A 36 -6.126 -0.596 -2.391 1.00 10.00 C ATOM 0 H VAL A 36 -7.605 0.855 1.162 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.399 1.874 -1.337 1.00 10.00 H new ATOM 0 HB VAL A 36 -5.504 -0.136 -0.364 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -6.793 -2.282 -0.463 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -7.479 -1.125 0.703 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -8.252 -1.354 -0.884 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.675 -1.588 -2.421 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -7.052 -0.602 -2.965 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.436 0.130 -2.822 1.00 10.00 H new ATOM 544 N ASN A 37 -8.389 1.556 -2.870 1.00 10.00 N ATOM 545 CA ASN A 37 -9.587 1.785 -3.675 1.00 10.00 C ATOM 546 C ASN A 37 -9.777 0.703 -4.747 1.00 10.00 C ATOM 547 O ASN A 37 -9.079 0.689 -5.764 1.00 10.00 O ATOM 548 CB ASN A 37 -9.501 3.167 -4.319 1.00 10.00 C ATOM 549 CG ASN A 37 -10.612 3.332 -5.348 1.00 10.00 C ATOM 550 OD1 ASN A 37 -11.783 3.124 -5.053 1.00 10.00 O ATOM 551 ND2 ASN A 37 -10.247 3.665 -6.577 1.00 10.00 N ATOM 0 H ASN A 37 -7.523 1.617 -3.405 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.455 1.735 -3.018 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -9.584 3.939 -3.554 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.530 3.295 -4.797 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -10.950 3.755 -7.311 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.263 3.831 -6.789 1.00 10.00 H new ATOM 558 N PHE A 38 -10.778 -0.163 -4.549 1.00 10.00 N ATOM 559 CA PHE A 38 -11.106 -1.263 -5.452 1.00 10.00 C ATOM 560 C PHE A 38 -11.859 -0.767 -6.692 1.00 10.00 C ATOM 561 O PHE A 38 -13.017 -1.116 -6.913 1.00 10.00 O ATOM 562 CB PHE A 38 -11.908 -2.332 -4.693 1.00 10.00 C ATOM 563 CG PHE A 38 -11.742 -3.735 -5.249 1.00 10.00 C ATOM 564 CD1 PHE A 38 -10.676 -4.523 -4.788 1.00 10.00 C ATOM 565 CD2 PHE A 38 -12.561 -4.216 -6.288 1.00 10.00 C ATOM 566 CE1 PHE A 38 -10.398 -5.766 -5.378 1.00 10.00 C ATOM 567 CE2 PHE A 38 -12.288 -5.464 -6.879 1.00 10.00 C ATOM 568 CZ PHE A 38 -11.199 -6.234 -6.433 1.00 10.00 C ATOM 0 H PHE A 38 -11.394 -0.114 -3.737 1.00 10.00 H new ATOM 0 HA PHE A 38 -10.179 -1.711 -5.809 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.602 -2.328 -3.647 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.964 -2.065 -4.717 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -10.064 -4.170 -3.972 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -13.399 -3.627 -6.632 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.570 -6.361 -5.022 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -12.916 -5.831 -7.677 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.979 -7.183 -6.900 1.00 10.00 H new ATOM 578 N ALA A 39 -11.200 0.056 -7.507 1.00 10.00 N ATOM 579 CA ALA A 39 -11.733 0.502 -8.791 1.00 10.00 C ATOM 580 C ALA A 39 -10.608 0.952 -9.722 1.00 10.00 C ATOM 581 O ALA A 39 -10.506 0.480 -10.850 1.00 10.00 O ATOM 582 CB ALA A 39 -12.761 1.619 -8.584 1.00 10.00 C ATOM 0 H ALA A 39 -10.277 0.433 -7.293 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.237 -0.340 -9.266 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.149 1.940 -9.551 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.581 1.249 -7.969 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.285 2.463 -8.085 1.00 10.00 H new ATOM 588 N LEU A 40 -9.764 1.871 -9.246 1.00 10.00 N ATOM 589 CA LEU A 40 -8.645 2.405 -10.025 1.00 10.00 C ATOM 590 C LEU A 40 -7.443 1.464 -9.955 1.00 10.00 C ATOM 591 O LEU A 40 -6.532 1.563 -10.768 1.00 10.00 O ATOM 592 CB LEU A 40 -8.234 3.794 -9.504 1.00 10.00 C ATOM 593 CG LEU A 40 -9.325 4.834 -9.469 1.00 10.00 C ATOM 594 CD1 LEU A 40 -8.994 6.012 -8.542 1.00 10.00 C ATOM 595 CD2 LEU A 40 -9.636 5.346 -10.867 1.00 10.00 C ATOM 0 H LEU A 40 -9.838 2.266 -8.308 1.00 10.00 H new ATOM 0 HA LEU A 40 -8.972 2.493 -11.061 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -7.836 3.679 -8.496 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.422 4.168 -10.127 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.206 4.337 -9.063 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -9.815 6.729 -8.557 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.851 5.646 -7.525 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.081 6.499 -8.884 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.426 6.095 -10.813 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.741 5.794 -11.298 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -9.964 4.517 -11.494 1.00 10.00 H new ATOM 607 N GLU A 41 -7.449 0.584 -8.948 1.00 10.00 N ATOM 608 CA GLU A 41 -6.345 -0.293 -8.584 1.00 10.00 C ATOM 609 C GLU A 41 -5.207 0.564 -8.007 1.00 10.00 C ATOM 610 O GLU A 41 -4.037 0.409 -8.342 1.00 10.00 O ATOM 611 CB GLU A 41 -5.957 -1.234 -9.747 1.00 10.00 C ATOM 612 CG GLU A 41 -5.652 -2.644 -9.216 1.00 10.00 C ATOM 613 CD GLU A 41 -5.198 -3.637 -10.286 1.00 10.00 C ATOM 614 OE1 GLU A 41 -5.583 -3.434 -11.458 1.00 10.00 O ATOM 615 OE2 GLU A 41 -4.517 -4.618 -9.903 1.00 10.00 O ATOM 0 H GLU A 41 -8.261 0.463 -8.342 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.638 -0.986 -7.795 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -6.769 -1.280 -10.473 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.085 -0.838 -10.268 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -4.877 -2.572 -8.452 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -6.544 -3.036 -8.729 1.00 10.00 H new ATOM 622 N THR A 42 -5.588 1.473 -7.104 1.00 10.00 N ATOM 623 CA THR A 42 -4.725 2.434 -6.431 1.00 10.00 C ATOM 624 C THR A 42 -4.873 2.270 -4.918 1.00 10.00 C ATOM 625 O THR A 42 -5.984 2.022 -4.440 1.00 10.00 O ATOM 626 CB THR A 42 -5.122 3.866 -6.842 1.00 10.00 C ATOM 627 OG1 THR A 42 -4.809 4.100 -8.201 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.425 4.938 -5.997 1.00 10.00 C ATOM 0 H THR A 42 -6.561 1.558 -6.811 1.00 10.00 H new ATOM 0 HA THR A 42 -3.688 2.257 -6.717 1.00 10.00 H new ATOM 0 HB THR A 42 -6.197 3.940 -6.677 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.070 5.013 -8.444 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.742 5.926 -6.330 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.692 4.805 -4.949 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.345 4.846 -6.111 1.00 10.00 H new ATOM 636 N VAL A 43 -3.781 2.486 -4.172 1.00 10.00 N ATOM 637 CA VAL A 43 -3.827 2.762 -2.738 1.00 10.00 C ATOM 638 C VAL A 43 -3.276 4.156 -2.462 1.00 10.00 C ATOM 639 O VAL A 43 -2.298 4.581 -3.079 1.00 10.00 O ATOM 640 CB VAL A 43 -3.104 1.684 -1.907 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.644 1.503 -2.329 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.169 1.957 -0.400 1.00 10.00 C ATOM 0 H VAL A 43 -2.835 2.473 -4.554 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.870 2.730 -2.422 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.643 0.759 -2.112 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.180 0.733 -1.713 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.602 1.204 -3.376 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.108 2.443 -2.199 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.644 1.166 0.136 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.699 2.916 -0.183 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.210 1.983 -0.079 1.00 10.00 H new ATOM 652 N THR A 44 -3.922 4.843 -1.517 1.00 10.00 N ATOM 653 CA THR A 44 -3.520 6.110 -0.951 1.00 10.00 C ATOM 654 C THR A 44 -2.972 5.830 0.447 1.00 10.00 C ATOM 655 O THR A 44 -3.747 5.453 1.323 1.00 10.00 O ATOM 656 CB THR A 44 -4.774 6.988 -0.876 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.917 6.208 -0.562 1.00 10.00 O ATOM 658 CG2 THR A 44 -5.023 7.679 -2.219 1.00 10.00 C ATOM 0 H THR A 44 -4.791 4.499 -1.109 1.00 10.00 H new ATOM 0 HA THR A 44 -2.757 6.614 -1.543 1.00 10.00 H new ATOM 0 HB THR A 44 -4.608 7.731 -0.096 1.00 10.00 H new ATOM 0 HG1 THR A 44 -5.702 5.593 0.170 1.00 10.00 H new ATOM 0 HG21 THR A 44 -5.917 8.299 -2.149 1.00 10.00 H new ATOM 0 HG22 THR A 44 -4.167 8.305 -2.471 1.00 10.00 H new ATOM 0 HG23 THR A 44 -5.163 6.926 -2.995 1.00 10.00 H new ATOM 666 N VAL A 45 -1.664 5.987 0.659 1.00 10.00 N ATOM 667 CA VAL A 45 -1.021 5.741 1.944 1.00 10.00 C ATOM 668 C VAL A 45 -0.696 7.061 2.623 1.00 10.00 C ATOM 669 O VAL A 45 -0.108 7.933 1.989 1.00 10.00 O ATOM 670 CB VAL A 45 0.245 4.890 1.760 1.00 10.00 C ATOM 671 CG1 VAL A 45 0.949 4.620 3.098 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.152 3.547 1.148 1.00 10.00 C ATOM 0 H VAL A 45 -1.017 6.292 -0.068 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.708 5.185 2.582 1.00 10.00 H new ATOM 0 HB VAL A 45 0.930 5.438 1.113 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.839 4.015 2.925 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.236 5.567 3.555 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.272 4.086 3.764 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.738 2.932 1.012 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.848 3.036 1.813 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.629 3.714 0.182 1.00 10.00 H new ATOM 682 N GLU A 46 -1.027 7.176 3.913 1.00 10.00 N ATOM 683 CA GLU A 46 -0.392 8.141 4.792 1.00 10.00 C ATOM 684 C GLU A 46 0.689 7.460 5.620 1.00 10.00 C ATOM 685 O GLU A 46 0.395 6.658 6.511 1.00 10.00 O ATOM 686 CB GLU A 46 -1.391 8.819 5.723 1.00 10.00 C ATOM 687 CG GLU A 46 -2.086 10.002 5.051 1.00 10.00 C ATOM 688 CD GLU A 46 -2.477 11.062 6.070 1.00 10.00 C ATOM 689 OE1 GLU A 46 -1.568 11.529 6.796 1.00 10.00 O ATOM 690 OE2 GLU A 46 -3.678 11.419 6.059 1.00 10.00 O ATOM 0 H GLU A 46 -1.739 6.603 4.367 1.00 10.00 H new ATOM 0 HA GLU A 46 0.049 8.911 4.159 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.139 8.093 6.043 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -0.876 9.163 6.620 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -1.424 10.439 4.303 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -2.975 9.654 4.525 1.00 10.00 H new ATOM 697 N TYR A 47 1.936 7.847 5.365 1.00 10.00 N ATOM 698 CA TYR A 47 3.083 7.532 6.194 1.00 10.00 C ATOM 699 C TYR A 47 3.949 8.779 6.243 1.00 10.00 C ATOM 700 O TYR A 47 3.587 9.809 5.675 1.00 10.00 O ATOM 701 CB TYR A 47 3.858 6.328 5.639 1.00 10.00 C ATOM 702 CG TYR A 47 4.705 6.611 4.408 1.00 10.00 C ATOM 703 CD1 TYR A 47 4.103 6.929 3.175 1.00 10.00 C ATOM 704 CD2 TYR A 47 6.106 6.687 4.533 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.892 7.378 2.102 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.883 7.170 3.470 1.00 10.00 C ATOM 707 CZ TYR A 47 6.269 7.576 2.277 1.00 10.00 C ATOM 708 OH TYR A 47 7.004 8.196 1.314 1.00 10.00 O ATOM 0 H TYR A 47 2.178 8.407 4.547 1.00 10.00 H new ATOM 0 HA TYR A 47 2.767 7.249 7.198 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.507 5.941 6.425 1.00 10.00 H new ATOM 0 HB3 TYR A 47 3.146 5.539 5.396 1.00 10.00 H new ATOM 0 HD1 TYR A 47 3.035 6.828 3.054 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.583 6.373 5.450 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.437 7.571 1.142 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.957 7.229 3.571 1.00 10.00 H new ATOM 0 HH TYR A 47 6.624 9.081 1.131 1.00 10.00 H new ATOM 718 N ASN A 48 5.083 8.687 6.927 1.00 10.00 N ATOM 719 CA ASN A 48 6.074 9.737 7.024 1.00 10.00 C ATOM 720 C ASN A 48 7.428 9.286 6.449 1.00 10.00 C ATOM 721 O ASN A 48 7.946 8.239 6.841 1.00 10.00 O ATOM 722 CB ASN A 48 6.188 10.167 8.482 1.00 10.00 C ATOM 723 CG ASN A 48 6.517 9.059 9.473 1.00 10.00 C ATOM 724 OD1 ASN A 48 6.455 7.873 9.166 1.00 10.00 O ATOM 725 ND2 ASN A 48 6.840 9.474 10.689 1.00 10.00 N ATOM 0 H ASN A 48 5.341 7.847 7.445 1.00 10.00 H new ATOM 0 HA ASN A 48 5.761 10.592 6.425 1.00 10.00 H new ATOM 0 HB2 ASN A 48 6.957 10.936 8.556 1.00 10.00 H new ATOM 0 HB3 ASN A 48 5.247 10.628 8.780 1.00 10.00 H new ATOM 0 HD21 ASN A 48 7.051 8.795 11.420 1.00 10.00 H new ATOM 0 HD22 ASN A 48 6.878 10.473 10.894 1.00 10.00 H new ATOM 732 N PRO A 49 8.035 10.068 5.539 1.00 10.00 N ATOM 733 CA PRO A 49 9.314 9.749 4.918 1.00 10.00 C ATOM 734 C PRO A 49 10.435 10.011 5.923 1.00 10.00 C ATOM 735 O PRO A 49 11.183 10.982 5.814 1.00 10.00 O ATOM 736 CB PRO A 49 9.390 10.651 3.683 1.00 10.00 C ATOM 737 CG PRO A 49 8.644 11.901 4.143 1.00 10.00 C ATOM 738 CD PRO A 49 7.526 11.323 5.012 1.00 10.00 C ATOM 0 HA PRO A 49 9.415 8.705 4.622 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.420 10.872 3.405 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.917 10.192 2.815 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.290 12.573 4.708 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.250 12.470 3.301 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.266 12.008 5.819 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.621 11.162 4.427 1.00 10.00 H new ATOM 746 N LYS A 50 10.517 9.151 6.937 1.00 10.00 N ATOM 747 CA LYS A 50 11.430 9.311 8.054 1.00 10.00 C ATOM 748 C LYS A 50 11.788 7.939 8.617 1.00 10.00 C ATOM 749 O LYS A 50 12.966 7.602 8.712 1.00 10.00 O ATOM 750 CB LYS A 50 10.780 10.222 9.107 1.00 10.00 C ATOM 751 CG LYS A 50 11.798 10.726 10.142 1.00 10.00 C ATOM 752 CD LYS A 50 11.804 12.261 10.157 1.00 10.00 C ATOM 753 CE LYS A 50 12.862 12.798 11.130 1.00 10.00 C ATOM 754 NZ LYS A 50 12.863 14.275 11.179 1.00 10.00 N ATOM 0 H LYS A 50 9.940 8.313 7.001 1.00 10.00 H new ATOM 0 HA LYS A 50 12.357 9.784 7.731 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.315 11.074 8.611 1.00 10.00 H new ATOM 0 HB3 LYS A 50 9.985 9.677 9.616 1.00 10.00 H new ATOM 0 HG2 LYS A 50 11.545 10.344 11.131 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.793 10.351 9.900 1.00 10.00 H new ATOM 0 HD2 LYS A 50 12.004 12.637 9.154 1.00 10.00 H new ATOM 0 HD3 LYS A 50 10.819 12.629 10.445 1.00 10.00 H new ATOM 0 HE2 LYS A 50 12.673 12.401 12.128 1.00 10.00 H new ATOM 0 HE3 LYS A 50 13.847 12.444 10.827 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 13.591 14.600 11.847 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 13.068 14.654 10.232 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 11.931 14.613 11.492 1.00 10.00 H new ATOM 768 N GLU A 51 10.766 7.167 8.993 1.00 10.00 N ATOM 769 CA GLU A 51 10.907 5.845 9.590 1.00 10.00 C ATOM 770 C GLU A 51 10.442 4.731 8.639 1.00 10.00 C ATOM 771 O GLU A 51 10.821 3.577 8.829 1.00 10.00 O ATOM 772 CB GLU A 51 10.225 5.835 10.964 1.00 10.00 C ATOM 773 CG GLU A 51 8.719 6.070 10.873 1.00 10.00 C ATOM 774 CD GLU A 51 8.129 6.496 12.211 1.00 10.00 C ATOM 775 OE1 GLU A 51 7.862 5.598 13.036 1.00 10.00 O ATOM 776 OE2 GLU A 51 7.964 7.724 12.384 1.00 10.00 O ATOM 0 H GLU A 51 9.793 7.455 8.886 1.00 10.00 H new ATOM 0 HA GLU A 51 11.962 5.625 9.756 1.00 10.00 H new ATOM 0 HB2 GLU A 51 10.411 4.878 11.451 1.00 10.00 H new ATOM 0 HB3 GLU A 51 10.672 6.605 11.593 1.00 10.00 H new ATOM 0 HG2 GLU A 51 8.516 6.837 10.126 1.00 10.00 H new ATOM 0 HG3 GLU A 51 8.229 5.157 10.534 1.00 10.00 H new ATOM 783 N ALA A 52 9.684 5.076 7.590 1.00 10.00 N ATOM 784 CA ALA A 52 9.302 4.183 6.503 1.00 10.00 C ATOM 785 C ALA A 52 9.505 4.922 5.179 1.00 10.00 C ATOM 786 O ALA A 52 9.741 6.131 5.179 1.00 10.00 O ATOM 787 CB ALA A 52 7.846 3.750 6.692 1.00 10.00 C ATOM 0 H ALA A 52 9.310 6.018 7.477 1.00 10.00 H new ATOM 0 HA ALA A 52 9.918 3.284 6.499 1.00 10.00 H new ATOM 0 HB1 ALA A 52 7.557 3.082 5.881 1.00 10.00 H new ATOM 0 HB2 ALA A 52 7.742 3.230 7.645 1.00 10.00 H new ATOM 0 HB3 ALA A 52 7.201 4.629 6.686 1.00 10.00 H new ATOM 793 N SER A 53 9.436 4.207 4.052 1.00 10.00 N ATOM 794 CA SER A 53 9.560 4.751 2.717 1.00 10.00 C ATOM 795 C SER A 53 8.599 4.027 1.778 1.00 10.00 C ATOM 796 O SER A 53 8.193 2.897 2.055 1.00 10.00 O ATOM 797 CB SER A 53 10.990 4.560 2.225 1.00 10.00 C ATOM 798 OG SER A 53 11.364 3.196 2.228 1.00 10.00 O ATOM 0 H SER A 53 9.287 3.198 4.056 1.00 10.00 H new ATOM 0 HA SER A 53 9.317 5.814 2.734 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.085 4.962 1.216 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.672 5.126 2.859 1.00 10.00 H new ATOM 0 HG SER A 53 12.285 3.109 1.906 1.00 10.00 H new ATOM 804 N VAL A 54 8.318 4.654 0.631 1.00 10.00 N ATOM 805 CA VAL A 54 7.631 4.013 -0.481 1.00 10.00 C ATOM 806 C VAL A 54 8.324 2.693 -0.841 1.00 10.00 C ATOM 807 O VAL A 54 7.670 1.664 -0.977 1.00 10.00 O ATOM 808 CB VAL A 54 7.485 4.999 -1.656 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.815 5.517 -2.222 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.653 4.388 -2.788 1.00 10.00 C ATOM 0 H VAL A 54 8.565 5.627 0.453 1.00 10.00 H new ATOM 0 HA VAL A 54 6.614 3.744 -0.195 1.00 10.00 H new ATOM 0 HB VAL A 54 6.971 5.862 -1.232 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.617 6.204 -3.045 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.366 6.038 -1.439 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.407 4.677 -2.585 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.566 5.106 -3.604 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.141 3.483 -3.151 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.659 4.140 -2.416 1.00 10.00 H new ATOM 820 N SER A 55 9.653 2.707 -0.958 1.00 10.00 N ATOM 821 CA SER A 55 10.445 1.532 -1.277 1.00 10.00 C ATOM 822 C SER A 55 10.263 0.412 -0.249 1.00 10.00 C ATOM 823 O SER A 55 10.101 -0.745 -0.627 1.00 10.00 O ATOM 824 CB SER A 55 11.911 1.951 -1.387 1.00 10.00 C ATOM 825 OG SER A 55 11.990 3.147 -2.144 1.00 10.00 O ATOM 0 H SER A 55 10.212 3.551 -0.831 1.00 10.00 H new ATOM 0 HA SER A 55 10.103 1.124 -2.228 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.335 2.104 -0.395 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.494 1.163 -1.864 1.00 10.00 H new ATOM 0 HG SER A 55 12.927 3.425 -2.219 1.00 10.00 H new ATOM 831 N ASP A 56 10.300 0.747 1.045 1.00 10.00 N ATOM 832 CA ASP A 56 10.126 -0.229 2.111 1.00 10.00 C ATOM 833 C ASP A 56 8.743 -0.864 1.997 1.00 10.00 C ATOM 834 O ASP A 56 8.606 -2.073 1.812 1.00 10.00 O ATOM 835 CB ASP A 56 10.298 0.469 3.463 1.00 10.00 C ATOM 836 CG ASP A 56 9.662 -0.326 4.592 1.00 10.00 C ATOM 837 OD1 ASP A 56 10.203 -1.407 4.899 1.00 10.00 O ATOM 838 OD2 ASP A 56 8.626 0.164 5.092 1.00 10.00 O ATOM 0 H ASP A 56 10.451 1.700 1.376 1.00 10.00 H new ATOM 0 HA ASP A 56 10.874 -1.017 2.027 1.00 10.00 H new ATOM 0 HB2 ASP A 56 11.359 0.607 3.669 1.00 10.00 H new ATOM 0 HB3 ASP A 56 9.850 1.462 3.420 1.00 10.00 H new ATOM 843 N LEU A 57 7.705 -0.029 2.061 1.00 10.00 N ATOM 844 CA LEU A 57 6.338 -0.516 2.072 1.00 10.00 C ATOM 845 C LEU A 57 6.023 -1.302 0.802 1.00 10.00 C ATOM 846 O LEU A 57 5.252 -2.264 0.846 1.00 10.00 O ATOM 847 CB LEU A 57 5.370 0.633 2.368 1.00 10.00 C ATOM 848 CG LEU A 57 5.247 1.712 1.294 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.285 1.335 0.160 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.774 3.009 1.959 1.00 10.00 C ATOM 0 H LEU A 57 7.792 0.986 2.106 1.00 10.00 H new ATOM 0 HA LEU A 57 6.208 -1.233 2.883 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.381 0.210 2.542 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.680 1.110 3.298 1.00 10.00 H new ATOM 0 HG LEU A 57 6.229 1.833 0.837 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.245 2.145 -0.568 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.636 0.426 -0.328 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.289 1.165 0.569 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.681 3.791 1.206 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.806 2.843 2.432 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.498 3.316 2.713 1.00 10.00 H new ATOM 862 N LYS A 58 6.655 -0.934 -0.322 1.00 10.00 N ATOM 863 CA LYS A 58 6.602 -1.729 -1.538 1.00 10.00 C ATOM 864 C LYS A 58 6.844 -3.200 -1.188 1.00 10.00 C ATOM 865 O LYS A 58 6.067 -4.062 -1.591 1.00 10.00 O ATOM 866 CB LYS A 58 7.642 -1.223 -2.558 1.00 10.00 C ATOM 867 CG LYS A 58 7.280 -1.467 -4.028 1.00 10.00 C ATOM 868 CD LYS A 58 6.924 -2.937 -4.253 1.00 10.00 C ATOM 869 CE LYS A 58 7.115 -3.411 -5.703 1.00 10.00 C ATOM 870 NZ LYS A 58 7.845 -4.694 -5.770 1.00 10.00 N ATOM 0 H LYS A 58 7.211 -0.083 -0.405 1.00 10.00 H new ATOM 0 HA LYS A 58 5.617 -1.632 -1.995 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.785 -0.153 -2.408 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.597 -1.705 -2.350 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.438 -0.835 -4.311 1.00 10.00 H new ATOM 0 HG3 LYS A 58 8.118 -1.187 -4.667 1.00 10.00 H new ATOM 0 HD2 LYS A 58 7.538 -3.554 -3.596 1.00 10.00 H new ATOM 0 HD3 LYS A 58 5.886 -3.097 -3.963 1.00 10.00 H new ATOM 0 HE2 LYS A 58 6.141 -3.522 -6.180 1.00 10.00 H new ATOM 0 HE3 LYS A 58 7.661 -2.653 -6.264 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 8.102 -4.896 -6.757 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 8.708 -4.633 -5.193 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 7.239 -5.457 -5.407 1.00 10.00 H new ATOM 884 N GLU A 59 7.913 -3.492 -0.442 1.00 10.00 N ATOM 885 CA GLU A 59 8.287 -4.853 -0.103 1.00 10.00 C ATOM 886 C GLU A 59 7.199 -5.534 0.728 1.00 10.00 C ATOM 887 O GLU A 59 6.956 -6.723 0.561 1.00 10.00 O ATOM 888 CB GLU A 59 9.636 -4.881 0.626 1.00 10.00 C ATOM 889 CG GLU A 59 10.313 -6.240 0.393 1.00 10.00 C ATOM 890 CD GLU A 59 11.599 -6.401 1.190 1.00 10.00 C ATOM 891 OE1 GLU A 59 12.522 -5.598 0.946 1.00 10.00 O ATOM 892 OE2 GLU A 59 11.639 -7.347 2.007 1.00 10.00 O ATOM 0 H GLU A 59 8.540 -2.784 -0.059 1.00 10.00 H new ATOM 0 HA GLU A 59 8.393 -5.414 -1.032 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.275 -4.077 0.262 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.489 -4.714 1.693 1.00 10.00 H new ATOM 0 HG2 GLU A 59 9.621 -7.037 0.664 1.00 10.00 H new ATOM 0 HG3 GLU A 59 10.532 -6.355 -0.669 1.00 10.00 H new ATOM 899 N ALA A 60 6.532 -4.797 1.618 1.00 10.00 N ATOM 900 CA ALA A 60 5.448 -5.318 2.434 1.00 10.00 C ATOM 901 C ALA A 60 4.313 -5.808 1.536 1.00 10.00 C ATOM 902 O ALA A 60 3.773 -6.893 1.754 1.00 10.00 O ATOM 903 CB ALA A 60 4.965 -4.253 3.426 1.00 10.00 C ATOM 0 H ALA A 60 6.736 -3.812 1.790 1.00 10.00 H new ATOM 0 HA ALA A 60 5.809 -6.166 3.016 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.153 -4.659 4.029 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.789 -3.961 4.076 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.609 -3.381 2.878 1.00 10.00 H new ATOM 909 N VAL A 61 3.963 -5.022 0.515 1.00 10.00 N ATOM 910 CA VAL A 61 2.970 -5.433 -0.468 1.00 10.00 C ATOM 911 C VAL A 61 3.501 -6.602 -1.301 1.00 10.00 C ATOM 912 O VAL A 61 2.814 -7.610 -1.449 1.00 10.00 O ATOM 913 CB VAL A 61 2.516 -4.226 -1.306 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.522 -4.653 -2.391 1.00 10.00 C ATOM 915 CG2 VAL A 61 1.840 -3.207 -0.377 1.00 10.00 C ATOM 0 H VAL A 61 4.357 -4.095 0.351 1.00 10.00 H new ATOM 0 HA VAL A 61 2.077 -5.802 0.036 1.00 10.00 H new ATOM 0 HB VAL A 61 3.388 -3.787 -1.791 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.217 -3.781 -2.969 1.00 10.00 H new ATOM 0 HG12 VAL A 61 1.995 -5.379 -3.052 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.646 -5.104 -1.925 1.00 10.00 H new ATOM 0 HG21 VAL A 61 1.513 -2.345 -0.959 1.00 10.00 H new ATOM 0 HG22 VAL A 61 0.978 -3.669 0.104 1.00 10.00 H new ATOM 0 HG23 VAL A 61 2.549 -2.883 0.385 1.00 10.00 H new ATOM 925 N ASP A 62 4.734 -6.507 -1.801 1.00 10.00 N ATOM 926 CA ASP A 62 5.358 -7.572 -2.579 1.00 10.00 C ATOM 927 C ASP A 62 5.310 -8.896 -1.808 1.00 10.00 C ATOM 928 O ASP A 62 4.966 -9.935 -2.365 1.00 10.00 O ATOM 929 CB ASP A 62 6.791 -7.177 -2.961 1.00 10.00 C ATOM 930 CG ASP A 62 7.204 -7.823 -4.273 1.00 10.00 C ATOM 931 OD1 ASP A 62 7.633 -8.992 -4.244 1.00 10.00 O ATOM 932 OD2 ASP A 62 7.114 -7.101 -5.295 1.00 10.00 O ATOM 0 H ASP A 62 5.327 -5.687 -1.676 1.00 10.00 H new ATOM 0 HA ASP A 62 4.800 -7.717 -3.504 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.862 -6.093 -3.047 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.478 -7.479 -2.171 1.00 10.00 H new ATOM 937 N LYS A 63 5.551 -8.832 -0.491 1.00 10.00 N ATOM 938 CA LYS A 63 5.465 -9.958 0.435 1.00 10.00 C ATOM 939 C LYS A 63 4.143 -10.738 0.334 1.00 10.00 C ATOM 940 O LYS A 63 4.091 -11.886 0.770 1.00 10.00 O ATOM 941 CB LYS A 63 5.672 -9.472 1.885 1.00 10.00 C ATOM 942 CG LYS A 63 6.904 -10.067 2.579 1.00 10.00 C ATOM 943 CD LYS A 63 8.181 -9.356 2.107 1.00 10.00 C ATOM 944 CE LYS A 63 9.425 -9.779 2.902 1.00 10.00 C ATOM 945 NZ LYS A 63 9.890 -11.137 2.568 1.00 10.00 N ATOM 0 H LYS A 63 5.820 -7.963 -0.030 1.00 10.00 H new ATOM 0 HA LYS A 63 6.259 -10.648 0.149 1.00 10.00 H new ATOM 0 HB2 LYS A 63 5.760 -8.386 1.883 1.00 10.00 H new ATOM 0 HB3 LYS A 63 4.785 -9.719 2.469 1.00 10.00 H new ATOM 0 HG2 LYS A 63 6.804 -9.968 3.660 1.00 10.00 H new ATOM 0 HG3 LYS A 63 6.972 -11.133 2.362 1.00 10.00 H new ATOM 0 HD2 LYS A 63 8.341 -9.569 1.050 1.00 10.00 H new ATOM 0 HD3 LYS A 63 8.046 -8.278 2.198 1.00 10.00 H new ATOM 0 HE2 LYS A 63 10.230 -9.069 2.711 1.00 10.00 H new ATOM 0 HE3 LYS A 63 9.202 -9.730 3.968 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 10.731 -11.365 3.136 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 9.136 -11.823 2.775 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 10.132 -11.182 1.557 1.00 10.00 H new ATOM 959 N LEU A 64 3.066 -10.115 -0.155 1.00 10.00 N ATOM 960 CA LEU A 64 1.767 -10.754 -0.338 1.00 10.00 C ATOM 961 C LEU A 64 1.660 -11.441 -1.704 1.00 10.00 C ATOM 962 O LEU A 64 0.896 -12.395 -1.831 1.00 10.00 O ATOM 963 CB LEU A 64 0.662 -9.705 -0.177 1.00 10.00 C ATOM 964 CG LEU A 64 0.542 -9.213 1.270 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.100 -7.831 1.275 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.320 -10.164 2.110 1.00 10.00 C ATOM 0 H LEU A 64 3.077 -9.135 -0.439 1.00 10.00 H new ATOM 0 HA LEU A 64 1.653 -11.528 0.421 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.868 -8.858 -0.832 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.290 -10.130 -0.495 1.00 10.00 H new ATOM 0 HG LEU A 64 1.541 -9.175 1.704 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -0.189 -7.475 2.301 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.519 -7.140 0.703 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.091 -7.888 0.824 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.387 -9.789 3.131 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.320 -10.225 1.680 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.133 -11.155 2.117 1.00 10.00 H new ATOM 978 N GLY A 65 2.397 -10.972 -2.717 1.00 10.00 N ATOM 979 CA GLY A 65 2.465 -11.596 -4.033 1.00 10.00 C ATOM 980 C GLY A 65 2.243 -10.576 -5.147 1.00 10.00 C ATOM 981 O GLY A 65 3.061 -10.453 -6.059 1.00 10.00 O ATOM 0 H GLY A 65 2.971 -10.133 -2.639 1.00 10.00 H new ATOM 0 HA2 GLY A 65 3.437 -12.071 -4.162 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.714 -12.383 -4.103 1.00 10.00 H new ATOM 985 N TYR A 66 1.119 -9.857 -5.088 1.00 10.00 N ATOM 986 CA TYR A 66 0.823 -8.783 -6.031 1.00 10.00 C ATOM 987 C TYR A 66 1.854 -7.660 -5.908 1.00 10.00 C ATOM 988 O TYR A 66 2.542 -7.553 -4.894 1.00 10.00 O ATOM 989 CB TYR A 66 -0.616 -8.278 -5.861 1.00 10.00 C ATOM 990 CG TYR A 66 -1.187 -8.307 -4.459 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.547 -7.598 -3.429 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.355 -9.041 -4.178 1.00 10.00 C ATOM 993 CE1 TYR A 66 -1.102 -7.583 -2.143 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.913 -9.007 -2.889 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.333 -8.204 -1.897 1.00 10.00 C ATOM 996 OH TYR A 66 -2.945 -8.029 -0.694 1.00 10.00 O ATOM 0 H TYR A 66 0.393 -10.005 -4.387 1.00 10.00 H new ATOM 0 HA TYR A 66 0.897 -9.179 -7.044 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.661 -7.252 -6.225 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.264 -8.874 -6.504 1.00 10.00 H new ATOM 0 HD1 TYR A 66 0.371 -7.065 -3.628 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.822 -9.630 -4.953 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.578 -7.090 -1.337 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.788 -9.599 -2.663 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.866 -7.725 -0.837 1.00 10.00 H new ATOM 1006 N LYS A 67 1.982 -6.844 -6.960 1.00 10.00 N ATOM 1007 CA LYS A 67 3.001 -5.798 -7.027 1.00 10.00 C ATOM 1008 C LYS A 67 2.376 -4.417 -6.836 1.00 10.00 C ATOM 1009 O LYS A 67 1.156 -4.287 -6.739 1.00 10.00 O ATOM 1010 CB LYS A 67 3.840 -5.915 -8.315 1.00 10.00 C ATOM 1011 CG LYS A 67 5.139 -6.700 -8.093 1.00 10.00 C ATOM 1012 CD LYS A 67 4.939 -8.220 -7.996 1.00 10.00 C ATOM 1013 CE LYS A 67 5.044 -8.905 -9.364 1.00 10.00 C ATOM 1014 NZ LYS A 67 6.438 -8.952 -9.850 1.00 10.00 N ATOM 0 H LYS A 67 1.383 -6.892 -7.784 1.00 10.00 H new ATOM 0 HA LYS A 67 3.699 -5.938 -6.201 1.00 10.00 H new ATOM 0 HB2 LYS A 67 3.249 -6.406 -9.088 1.00 10.00 H new ATOM 0 HB3 LYS A 67 4.079 -4.917 -8.682 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.826 -6.485 -8.912 1.00 10.00 H new ATOM 0 HG3 LYS A 67 5.614 -6.347 -7.178 1.00 10.00 H new ATOM 0 HD2 LYS A 67 5.685 -8.641 -7.322 1.00 10.00 H new ATOM 0 HD3 LYS A 67 3.962 -8.429 -7.560 1.00 10.00 H new ATOM 0 HE2 LYS A 67 4.649 -9.919 -9.294 1.00 10.00 H new ATOM 0 HE3 LYS A 67 4.426 -8.371 -10.086 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 6.509 -9.631 -10.635 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 6.722 -8.008 -10.182 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 7.066 -9.250 -9.076 1.00 10.00 H new ATOM 1028 N LEU A 68 3.240 -3.408 -6.704 1.00 10.00 N ATOM 1029 CA LEU A 68 2.894 -2.031 -6.432 1.00 10.00 C ATOM 1030 C LEU A 68 3.942 -1.157 -7.110 1.00 10.00 C ATOM 1031 O LEU A 68 5.080 -1.596 -7.298 1.00 10.00 O ATOM 1032 CB LEU A 68 2.879 -1.819 -4.915 1.00 10.00 C ATOM 1033 CG LEU A 68 2.480 -0.416 -4.431 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.626 -0.539 -3.167 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.723 0.419 -4.080 1.00 10.00 C ATOM 0 H LEU A 68 4.247 -3.547 -6.790 1.00 10.00 H new ATOM 0 HA LEU A 68 1.907 -1.772 -6.816 1.00 10.00 H new ATOM 0 HB2 LEU A 68 2.192 -2.542 -4.475 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.872 -2.046 -4.527 1.00 10.00 H new ATOM 0 HG LEU A 68 1.927 0.073 -5.233 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.342 0.455 -2.822 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.729 -1.116 -3.389 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.199 -1.043 -2.389 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.413 1.407 -3.740 1.00 10.00 H new ATOM 0 HD22 LEU A 68 4.283 -0.078 -3.288 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.355 0.520 -4.963 1.00 10.00 H new ATOM 1047 N LYS A 69 3.577 0.082 -7.427 1.00 10.00 N ATOM 1048 CA LYS A 69 4.456 1.096 -7.987 1.00 10.00 C ATOM 1049 C LYS A 69 3.983 2.462 -7.511 1.00 10.00 C ATOM 1050 O LYS A 69 2.852 2.594 -7.058 1.00 10.00 O ATOM 1051 CB LYS A 69 4.424 1.056 -9.519 1.00 10.00 C ATOM 1052 CG LYS A 69 5.071 -0.211 -10.084 1.00 10.00 C ATOM 1053 CD LYS A 69 5.348 0.003 -11.576 1.00 10.00 C ATOM 1054 CE LYS A 69 6.078 -1.208 -12.165 1.00 10.00 C ATOM 1055 NZ LYS A 69 6.394 -1.005 -13.593 1.00 10.00 N ATOM 0 H LYS A 69 2.623 0.417 -7.294 1.00 10.00 H new ATOM 0 HA LYS A 69 5.478 0.906 -7.658 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.390 1.116 -9.860 1.00 10.00 H new ATOM 0 HB3 LYS A 69 4.940 1.931 -9.913 1.00 10.00 H new ATOM 0 HG2 LYS A 69 5.999 -0.430 -9.555 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.413 -1.068 -9.941 1.00 10.00 H new ATOM 0 HD2 LYS A 69 4.410 0.163 -12.107 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.950 0.901 -11.715 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.998 -1.386 -11.609 1.00 10.00 H new ATOM 0 HE3 LYS A 69 5.460 -2.098 -12.051 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 6.888 -1.843 -13.962 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 5.513 -0.860 -14.126 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.004 -0.169 -13.698 1.00 10.00 H new ATOM 1069 N LEU A 70 4.840 3.475 -7.635 1.00 10.00 N ATOM 1070 CA LEU A 70 4.474 4.855 -7.345 1.00 10.00 C ATOM 1071 C LEU A 70 3.423 5.338 -8.328 1.00 10.00 C ATOM 1072 O LEU A 70 3.397 4.906 -9.480 1.00 10.00 O ATOM 1073 CB LEU A 70 5.722 5.749 -7.318 1.00 10.00 C ATOM 1074 CG LEU A 70 5.518 7.278 -7.351 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.750 7.941 -6.723 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.375 7.846 -8.774 1.00 10.00 C ATOM 0 H LEU A 70 5.807 3.359 -7.939 1.00 10.00 H new ATOM 0 HA LEU A 70 4.029 4.911 -6.352 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.287 5.507 -6.418 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.346 5.477 -8.169 1.00 10.00 H new ATOM 0 HG LEU A 70 4.595 7.486 -6.810 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.627 9.024 -6.736 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.861 7.601 -5.693 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.639 7.670 -7.293 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.234 8.926 -8.722 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.276 7.624 -9.346 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.513 7.391 -9.263 1.00 10.00 H new ATOM 1088 N LYS A 71 2.576 6.251 -7.852 1.00 10.00 N ATOM 1089 CA LYS A 71 1.564 6.914 -8.656 1.00 10.00 C ATOM 1090 C LYS A 71 1.620 8.434 -8.570 1.00 10.00 C ATOM 1091 O LYS A 71 1.467 9.089 -9.599 1.00 10.00 O ATOM 1092 CB LYS A 71 0.179 6.315 -8.398 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.783 6.527 -9.568 1.00 10.00 C ATOM 1094 CD LYS A 71 -0.379 5.680 -10.785 1.00 10.00 C ATOM 1095 CE LYS A 71 -1.369 5.784 -11.946 1.00 10.00 C ATOM 1096 NZ LYS A 71 -2.657 5.136 -11.630 1.00 10.00 N ATOM 0 H LYS A 71 2.579 6.552 -6.877 1.00 10.00 H new ATOM 0 HA LYS A 71 1.794 6.712 -9.702 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.280 5.247 -8.205 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.244 6.763 -7.499 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -1.796 6.266 -9.261 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -0.796 7.581 -9.844 1.00 10.00 H new ATOM 0 HD2 LYS A 71 0.607 5.994 -11.127 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -0.293 4.637 -10.481 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -1.540 6.834 -12.185 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -0.938 5.321 -12.834 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -3.180 4.955 -12.511 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.482 4.236 -11.140 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -3.219 5.760 -11.017 1.00 10.00 H new ATOM 1110 N GLY A 72 1.886 8.991 -7.389 1.00 10.00 N ATOM 1111 CA GLY A 72 2.097 10.426 -7.269 1.00 10.00 C ATOM 1112 C GLY A 72 1.649 10.946 -5.909 1.00 10.00 C ATOM 1113 O GLY A 72 0.468 10.947 -5.575 1.00 10.00 O ATOM 0 H GLY A 72 1.959 8.474 -6.513 1.00 10.00 H new ATOM 0 HA2 GLY A 72 3.153 10.653 -7.416 1.00 10.00 H new ATOM 0 HA3 GLY A 72 1.547 10.942 -8.056 1.00 10.00 H new ATOM 1117 N GLU A 73 2.601 11.411 -5.111 1.00 10.00 N ATOM 1118 CA GLU A 73 2.354 12.025 -3.819 1.00 10.00 C ATOM 1119 C GLU A 73 1.834 13.456 -4.024 1.00 10.00 C ATOM 1120 O GLU A 73 2.510 14.431 -3.704 1.00 10.00 O ATOM 1121 CB GLU A 73 3.601 11.893 -2.917 1.00 10.00 C ATOM 1122 CG GLU A 73 4.970 12.067 -3.606 1.00 10.00 C ATOM 1123 CD GLU A 73 5.422 10.826 -4.373 1.00 10.00 C ATOM 1124 OE1 GLU A 73 5.952 9.895 -3.730 1.00 10.00 O ATOM 1125 OE2 GLU A 73 5.171 10.818 -5.599 1.00 10.00 O ATOM 0 H GLU A 73 3.591 11.369 -5.353 1.00 10.00 H new ATOM 0 HA GLU A 73 1.566 11.503 -3.277 1.00 10.00 H new ATOM 0 HB2 GLU A 73 3.524 12.631 -2.119 1.00 10.00 H new ATOM 0 HB3 GLU A 73 3.579 10.910 -2.446 1.00 10.00 H new ATOM 0 HG2 GLU A 73 4.918 12.912 -4.293 1.00 10.00 H new ATOM 0 HG3 GLU A 73 5.719 12.313 -2.853 1.00 10.00 H new ATOM 1132 N GLN A 74 0.618 13.576 -4.576 1.00 10.00 N ATOM 1133 CA GLN A 74 -0.033 14.862 -4.829 1.00 10.00 C ATOM 1134 C GLN A 74 -0.135 15.711 -3.557 1.00 10.00 C ATOM 1135 O GLN A 74 0.090 16.918 -3.613 1.00 10.00 O ATOM 1136 CB GLN A 74 -1.450 14.667 -5.402 1.00 10.00 C ATOM 1137 CG GLN A 74 -1.500 14.393 -6.913 1.00 10.00 C ATOM 1138 CD GLN A 74 -1.238 12.941 -7.288 1.00 10.00 C ATOM 1139 OE1 GLN A 74 -0.266 12.653 -7.977 1.00 10.00 O ATOM 1140 NE2 GLN A 74 -2.126 12.043 -6.871 1.00 10.00 N ATOM 0 H GLN A 74 0.057 12.773 -4.861 1.00 10.00 H new ATOM 0 HA GLN A 74 0.591 15.382 -5.556 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -1.927 13.837 -4.880 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -2.039 15.559 -5.189 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -2.479 14.684 -7.292 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -0.764 15.025 -7.411 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -2.918 12.336 -6.299 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -2.015 11.061 -7.123 1.00 10.00 H new ATOM 1149 N ASP A 75 -0.561 15.073 -2.459 1.00 10.00 N ATOM 1150 CA ASP A 75 -0.870 15.641 -1.149 1.00 10.00 C ATOM 1151 C ASP A 75 -1.177 17.142 -1.156 1.00 10.00 C ATOM 1152 O ASP A 75 -0.337 17.978 -0.822 1.00 10.00 O ATOM 1153 CB ASP A 75 0.227 15.296 -0.140 1.00 10.00 C ATOM 1154 CG ASP A 75 -0.258 15.488 1.288 1.00 10.00 C ATOM 1155 OD1 ASP A 75 -1.343 16.084 1.478 1.00 10.00 O ATOM 1156 OD2 ASP A 75 0.422 14.932 2.175 1.00 10.00 O ATOM 0 H ASP A 75 -0.709 14.064 -2.470 1.00 10.00 H new ATOM 0 HA ASP A 75 -1.804 15.172 -0.839 1.00 10.00 H new ATOM 0 HB2 ASP A 75 0.544 14.263 -0.283 1.00 10.00 H new ATOM 0 HB3 ASP A 75 1.099 15.925 -0.318 1.00 10.00 H new ATOM 1161 N SER A 76 -2.405 17.484 -1.547 1.00 10.00 N ATOM 1162 CA SER A 76 -2.861 18.864 -1.586 1.00 10.00 C ATOM 1163 C SER A 76 -4.387 18.896 -1.515 1.00 10.00 C ATOM 1164 O SER A 76 -5.033 19.357 -2.453 1.00 10.00 O ATOM 1165 CB SER A 76 -2.306 19.548 -2.845 1.00 10.00 C ATOM 1166 OG SER A 76 -2.827 20.857 -2.973 1.00 10.00 O ATOM 0 H SER A 76 -3.108 16.808 -1.845 1.00 10.00 H new ATOM 0 HA SER A 76 -2.488 19.421 -0.726 1.00 10.00 H new ATOM 0 HB2 SER A 76 -1.218 19.588 -2.794 1.00 10.00 H new ATOM 0 HB3 SER A 76 -2.563 18.961 -3.727 1.00 10.00 H new ATOM 0 HG SER A 76 -3.806 20.821 -2.970 1.00 10.00 H new ATOM 1172 N ILE A 77 -4.943 18.419 -0.393 1.00 10.00 N ATOM 1173 CA ILE A 77 -6.377 18.394 -0.095 1.00 10.00 C ATOM 1174 C ILE A 77 -7.220 17.928 -1.292 1.00 10.00 C ATOM 1175 O ILE A 77 -8.256 18.513 -1.597 1.00 10.00 O ATOM 1176 CB ILE A 77 -6.855 19.737 0.507 1.00 10.00 C ATOM 1177 CG1 ILE A 77 -6.660 20.944 -0.436 1.00 10.00 C ATOM 1178 CG2 ILE A 77 -6.155 19.988 1.851 1.00 10.00 C ATOM 1179 CD1 ILE A 77 -7.472 22.169 -0.005 1.00 10.00 C ATOM 0 H ILE A 77 -4.381 18.024 0.361 1.00 10.00 H new ATOM 0 HA ILE A 77 -6.535 17.639 0.675 1.00 10.00 H new ATOM 0 HB ILE A 77 -7.931 19.644 0.658 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -5.603 21.207 -0.468 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -6.949 20.660 -1.448 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -6.497 20.935 2.268 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -6.394 19.180 2.542 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -5.077 20.027 1.698 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -7.296 22.987 -0.704 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -8.533 21.919 0.001 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -7.166 22.475 0.995 1.00 10.00 H new ATOM 1191 N GLU A 78 -6.777 16.852 -1.948 1.00 10.00 N ATOM 1192 CA GLU A 78 -7.380 16.319 -3.159 1.00 10.00 C ATOM 1193 C GLU A 78 -7.287 14.794 -3.101 1.00 10.00 C ATOM 1194 O GLU A 78 -6.461 14.255 -2.362 1.00 10.00 O ATOM 1195 CB GLU A 78 -6.649 16.925 -4.372 1.00 10.00 C ATOM 1196 CG GLU A 78 -7.185 16.492 -5.746 1.00 10.00 C ATOM 1197 CD GLU A 78 -8.679 16.735 -5.898 1.00 10.00 C ATOM 1198 OE1 GLU A 78 -9.430 15.813 -5.513 1.00 10.00 O ATOM 1199 OE2 GLU A 78 -9.040 17.824 -6.386 1.00 10.00 O ATOM 0 H GLU A 78 -5.966 16.317 -1.637 1.00 10.00 H new ATOM 0 HA GLU A 78 -8.434 16.582 -3.251 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -6.706 18.011 -4.304 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -5.594 16.657 -4.311 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.652 17.035 -6.527 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -6.977 15.433 -5.895 1.00 10.00 H new ATOM 1206 N GLY A 79 -8.154 14.114 -3.848 1.00 10.00 N ATOM 1207 CA GLY A 79 -8.279 12.669 -3.889 1.00 10.00 C ATOM 1208 C GLY A 79 -9.430 12.337 -4.833 1.00 10.00 C ATOM 1209 O GLY A 79 -10.587 12.588 -4.501 1.00 10.00 O ATOM 0 H GLY A 79 -8.816 14.582 -4.467 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -7.352 12.213 -4.238 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -8.473 12.272 -2.893 1.00 10.00 H new ATOM 1213 N ARG A 80 -9.120 11.816 -6.022 1.00 10.00 N ATOM 1214 CA ARG A 80 -10.056 11.687 -7.120 1.00 10.00 C ATOM 1215 C ARG A 80 -9.634 10.472 -7.935 1.00 10.00 C ATOM 1216 O ARG A 80 -8.419 10.176 -7.898 1.00 10.00 O ATOM 1217 CB ARG A 80 -9.984 12.973 -7.958 1.00 10.00 C ATOM 1218 CG ARG A 80 -11.089 13.069 -9.015 1.00 10.00 C ATOM 1219 CD ARG A 80 -12.358 13.680 -8.411 1.00 10.00 C ATOM 1220 NE ARG A 80 -13.461 13.685 -9.383 1.00 10.00 N ATOM 1221 CZ ARG A 80 -14.236 12.625 -9.666 1.00 10.00 C ATOM 1222 NH1 ARG A 80 -13.998 11.449 -9.075 1.00 10.00 N ATOM 1223 NH2 ARG A 80 -15.240 12.751 -10.543 1.00 10.00 N ATOM 1224 OXT ARG A 80 -10.530 9.873 -8.571 1.00 10.00 O ATOM 0 H ARG A 80 -8.188 11.467 -6.244 1.00 10.00 H new ATOM 0 HA ARG A 80 -11.082 11.552 -6.779 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -10.049 13.835 -7.294 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -9.013 13.023 -8.451 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -10.748 13.678 -9.852 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -11.309 12.078 -9.411 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -12.652 13.114 -7.527 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -12.154 14.699 -8.084 1.00 10.00 H new ATOM 0 HE ARG A 80 -13.651 14.556 -9.878 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -13.229 11.358 -8.411 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -14.585 10.643 -9.288 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -15.414 13.649 -10.993 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -15.831 11.948 -10.761 1.00 10.00 H new TER 1238 ARG A 80 HETATM 1239 CU CU1 A 81 -8.052 -11.729 -3.718 1.00 10.00 CU