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+ 140:sc= 0.013 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl -136:sc= -0.127 (180deg=-0.632) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -151:sc= -0.159 (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= -0.128 K(o=-0.13,f=-0.83) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.470 -2.259 4.835 1.00 0.00 N ATOM 2 CA MET A 1 -2.231 -3.122 3.939 1.00 0.00 C ATOM 3 C MET A 1 -3.413 -2.370 3.334 1.00 0.00 C ATOM 4 O MET A 1 -4.084 -1.597 4.017 1.00 0.00 O ATOM 5 CB MET A 1 -2.728 -4.360 4.687 1.00 0.00 C ATOM 6 CG MET A 1 -1.806 -5.561 4.554 1.00 0.00 C ATOM 7 SD MET A 1 -2.669 -7.127 4.788 1.00 0.00 S ATOM 8 CE MET A 1 -2.085 -7.595 6.416 1.00 0.00 C ATOM 0 H1 MET A 1 -1.178 -2.800 5.674 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.626 -1.904 4.341 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.062 -1.456 5.130 1.00 0.00 H new ATOM 0 HA MET A 1 -1.571 -3.436 3.131 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.842 -4.115 5.743 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.716 -4.628 4.313 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.341 -5.550 3.568 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.002 -5.480 5.286 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.531 -8.547 6.703 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.000 -7.694 6.399 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.368 -6.829 7.138 1.00 0.00 H new ATOM 18 N ALA A 2 -3.661 -2.602 2.049 1.00 0.00 N ATOM 19 CA ALA A 2 -4.763 -1.949 1.354 1.00 0.00 C ATOM 20 C ALA A 2 -4.960 -2.538 -0.039 1.00 0.00 C ATOM 21 O ALA A 2 -6.089 -2.684 -0.508 1.00 0.00 O ATOM 22 CB ALA A 2 -4.515 -0.450 1.265 1.00 0.00 C ATOM 0 H ALA A 2 -3.113 -3.237 1.469 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.675 -2.123 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.346 0.026 0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.431 -0.035 2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.590 -0.266 0.718 1.00 0.00 H new ATOM 28 N VAL A 3 -3.854 -2.875 -0.696 1.00 0.00 N ATOM 29 CA VAL A 3 -3.906 -3.449 -2.035 1.00 0.00 C ATOM 30 C VAL A 3 -4.205 -4.943 -1.982 1.00 0.00 C ATOM 31 O VAL A 3 -4.803 -5.501 -2.902 1.00 0.00 O ATOM 32 CB VAL A 3 -2.583 -3.228 -2.792 1.00 0.00 C ATOM 33 CG1 VAL A 3 -2.665 -3.812 -4.194 1.00 0.00 C ATOM 34 CG2 VAL A 3 -2.239 -1.747 -2.842 1.00 0.00 C ATOM 0 H VAL A 3 -2.912 -2.760 -0.322 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.710 -2.940 -2.566 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.787 -3.745 -2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.721 -3.646 -4.713 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.861 -4.882 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.472 -3.327 -4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.301 -1.609 -3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.034 -1.206 -3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.134 -1.363 -1.827 1.00 0.00 H new ATOM 44 N LYS A 4 -3.784 -5.586 -0.898 1.00 0.00 N ATOM 45 CA LYS A 4 -4.008 -7.016 -0.721 1.00 0.00 C ATOM 46 C LYS A 4 -5.478 -7.366 -0.926 1.00 0.00 C ATOM 47 O LYS A 4 -5.814 -8.225 -1.743 1.00 0.00 O ATOM 48 CB LYS A 4 -3.557 -7.455 0.674 1.00 0.00 C ATOM 49 CG LYS A 4 -2.575 -8.614 0.659 1.00 0.00 C ATOM 50 CD LYS A 4 -1.136 -8.126 0.686 1.00 0.00 C ATOM 51 CE LYS A 4 -0.623 -7.828 -0.715 1.00 0.00 C ATOM 52 NZ LYS A 4 0.852 -7.620 -0.732 1.00 0.00 N ATOM 0 H LYS A 4 -3.286 -5.139 -0.128 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.419 -7.546 -1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.098 -6.607 1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.433 -7.739 1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.758 -9.258 1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.738 -9.219 -0.233 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.067 -7.227 1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.503 -8.880 1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.881 -8.652 -1.380 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.120 -6.939 -1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.163 -7.419 -1.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.096 -6.817 -0.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.328 -8.478 -0.386 1.00 0.00 H new ATOM 66 N LEU A 5 -6.350 -6.696 -0.181 1.00 0.00 N ATOM 67 CA LEU A 5 -7.786 -6.936 -0.282 1.00 0.00 C ATOM 68 C LEU A 5 -8.290 -6.639 -1.691 1.00 0.00 C ATOM 69 O LEU A 5 -7.501 -6.403 -2.605 1.00 0.00 O ATOM 70 CB LEU A 5 -8.539 -6.075 0.733 1.00 0.00 C ATOM 71 CG LEU A 5 -9.603 -6.793 1.564 1.00 0.00 C ATOM 72 CD1 LEU A 5 -9.008 -7.302 2.868 1.00 0.00 C ATOM 73 CD2 LEU A 5 -10.780 -5.868 1.838 1.00 0.00 C ATOM 0 H LEU A 5 -6.088 -5.983 0.499 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.970 -7.988 -0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.812 -5.632 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.017 -5.254 0.199 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.965 -7.649 0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.780 -7.810 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.199 -7.999 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -8.618 -6.462 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.527 -6.396 2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.434 -4.992 2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -11.223 -5.553 0.893 1.00 0.00 H new ATOM 85 N MET A 6 -9.608 -6.652 -1.857 1.00 0.00 N ATOM 86 CA MET A 6 -10.217 -6.381 -3.154 1.00 0.00 C ATOM 87 C MET A 6 -10.078 -4.907 -3.522 1.00 0.00 C ATOM 88 O MET A 6 -11.008 -4.122 -3.341 1.00 0.00 O ATOM 89 CB MET A 6 -11.694 -6.778 -3.141 1.00 0.00 C ATOM 90 CG MET A 6 -11.923 -8.272 -3.300 1.00 0.00 C ATOM 91 SD MET A 6 -13.668 -8.721 -3.219 1.00 0.00 S ATOM 92 CE MET A 6 -14.056 -8.265 -1.531 1.00 0.00 C ATOM 0 H MET A 6 -10.275 -6.847 -1.110 1.00 0.00 H new ATOM 0 HA MET A 6 -9.695 -6.976 -3.904 1.00 0.00 H new ATOM 0 HB2 MET A 6 -12.142 -6.448 -2.204 1.00 0.00 H new ATOM 0 HB3 MET A 6 -12.210 -6.252 -3.944 1.00 0.00 H new ATOM 0 HG2 MET A 6 -11.512 -8.599 -4.255 1.00 0.00 H new ATOM 0 HG3 MET A 6 -11.379 -8.804 -2.520 1.00 0.00 H new ATOM 0 HE1 MET A 6 -14.653 -9.052 -1.070 1.00 0.00 H new ATOM 0 HE2 MET A 6 -13.132 -8.134 -0.968 1.00 0.00 H new ATOM 0 HE3 MET A 6 -14.619 -7.332 -1.527 1.00 0.00 H new ATOM 102 N GLY A 7 -8.910 -4.538 -4.039 1.00 0.00 N ATOM 103 CA GLY A 7 -8.672 -3.159 -4.423 1.00 0.00 C ATOM 104 C GLY A 7 -9.713 -2.639 -5.394 1.00 0.00 C ATOM 105 O GLY A 7 -9.951 -1.434 -5.474 1.00 0.00 O ATOM 0 H GLY A 7 -8.125 -5.169 -4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.667 -2.533 -3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.684 -3.077 -4.876 1.00 0.00 H new ATOM 109 N VAL A 8 -10.336 -3.550 -6.135 1.00 0.00 N ATOM 110 CA VAL A 8 -11.357 -3.177 -7.107 1.00 0.00 C ATOM 111 C VAL A 8 -12.531 -2.479 -6.429 1.00 0.00 C ATOM 112 O VAL A 8 -13.163 -1.598 -7.012 1.00 0.00 O ATOM 113 CB VAL A 8 -11.878 -4.407 -7.873 1.00 0.00 C ATOM 114 CG1 VAL A 8 -12.817 -3.981 -8.992 1.00 0.00 C ATOM 115 CG2 VAL A 8 -10.718 -5.223 -8.422 1.00 0.00 C ATOM 0 H VAL A 8 -10.151 -4.552 -6.081 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.888 -2.491 -7.812 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.438 -5.035 -7.180 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.175 -4.863 -9.522 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.665 -3.442 -8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.284 -3.332 -9.687 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -11.105 -6.088 -8.960 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.129 -4.607 -9.101 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.088 -5.560 -7.599 1.00 0.00 H new ATOM 125 N ASP A 9 -12.817 -2.879 -5.195 1.00 0.00 N ATOM 126 CA ASP A 9 -13.914 -2.290 -4.436 1.00 0.00 C ATOM 127 C ASP A 9 -13.608 -0.841 -4.072 1.00 0.00 C ATOM 128 O ASP A 9 -14.516 -0.023 -3.916 1.00 0.00 O ATOM 129 CB ASP A 9 -14.178 -3.103 -3.167 1.00 0.00 C ATOM 130 CG ASP A 9 -15.143 -4.249 -3.403 1.00 0.00 C ATOM 131 OD1 ASP A 9 -14.698 -5.307 -3.895 1.00 0.00 O ATOM 132 OD2 ASP A 9 -16.342 -4.087 -3.096 1.00 0.00 O ATOM 0 H ASP A 9 -12.305 -3.608 -4.699 1.00 0.00 H new ATOM 0 HA ASP A 9 -14.806 -2.307 -5.062 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.235 -3.498 -2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.580 -2.446 -2.396 1.00 0.00 H new ATOM 137 N LYS A 10 -12.324 -0.529 -3.936 1.00 0.00 N ATOM 138 CA LYS A 10 -11.896 0.821 -3.591 1.00 0.00 C ATOM 139 C LYS A 10 -11.983 1.746 -4.801 1.00 0.00 C ATOM 140 O LYS A 10 -12.572 2.825 -4.728 1.00 0.00 O ATOM 141 CB LYS A 10 -10.464 0.803 -3.052 1.00 0.00 C ATOM 142 CG LYS A 10 -10.366 1.140 -1.574 1.00 0.00 C ATOM 143 CD LYS A 10 -10.198 -0.109 -0.726 1.00 0.00 C ATOM 144 CE LYS A 10 -10.608 0.137 0.717 1.00 0.00 C ATOM 145 NZ LYS A 10 -9.428 0.342 1.602 1.00 0.00 N ATOM 0 H LYS A 10 -11.561 -1.194 -4.060 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.564 1.200 -2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.034 -0.184 -3.220 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.862 1.514 -3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.522 1.809 -1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.263 1.675 -1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.799 -0.917 -1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.159 -0.435 -0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.255 1.013 0.766 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.190 -0.711 1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.750 0.507 2.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.823 -0.503 1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.886 1.166 1.273 1.00 0.00 H new ATOM 159 N ILE A 11 -11.395 1.315 -5.912 1.00 0.00 N ATOM 160 CA ILE A 11 -11.409 2.104 -7.138 1.00 0.00 C ATOM 161 C ILE A 11 -12.823 2.225 -7.698 1.00 0.00 C ATOM 162 O ILE A 11 -13.211 3.273 -8.214 1.00 0.00 O ATOM 163 CB ILE A 11 -10.494 1.489 -8.213 1.00 0.00 C ATOM 164 CG1 ILE A 11 -10.897 0.039 -8.488 1.00 0.00 C ATOM 165 CG2 ILE A 11 -9.039 1.567 -7.777 1.00 0.00 C ATOM 166 CD1 ILE A 11 -11.928 -0.104 -9.586 1.00 0.00 C ATOM 0 H ILE A 11 -10.903 0.425 -5.989 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.037 3.096 -6.880 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.607 2.059 -9.135 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.008 -0.531 -8.759 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.291 -0.400 -7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.404 1.128 -8.547 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.760 2.610 -7.627 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.909 1.019 -6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -12.166 -1.158 -9.727 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.832 0.438 -9.309 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.530 0.305 -10.515 1.00 0.00 H new ATOM 178 N LYS A 12 -13.590 1.145 -7.590 1.00 0.00 N ATOM 179 CA LYS A 12 -14.962 1.129 -8.082 1.00 0.00 C ATOM 180 C LYS A 12 -15.866 1.988 -7.202 1.00 0.00 C ATOM 181 O LYS A 12 -16.881 2.510 -7.662 1.00 0.00 O ATOM 182 CB LYS A 12 -15.492 -0.306 -8.129 1.00 0.00 C ATOM 183 CG LYS A 12 -16.980 -0.395 -8.424 1.00 0.00 C ATOM 184 CD LYS A 12 -17.800 -0.434 -7.145 1.00 0.00 C ATOM 185 CE LYS A 12 -18.146 -1.861 -6.748 1.00 0.00 C ATOM 186 NZ LYS A 12 -18.976 -2.539 -7.783 1.00 0.00 N ATOM 0 H LYS A 12 -13.284 0.269 -7.166 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.965 1.544 -9.090 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.945 -0.862 -8.891 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -15.290 -0.791 -7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -17.284 0.461 -9.027 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.182 -1.289 -9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.243 0.044 -6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -18.717 0.139 -7.282 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.228 -2.427 -6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.683 -1.854 -5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -19.583 -3.252 -7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -19.570 -1.836 -8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -18.355 -3.003 -8.476 1.00 0.00 H new ATOM 200 N SER A 13 -15.488 2.130 -5.936 1.00 0.00 N ATOM 201 CA SER A 13 -16.266 2.924 -4.991 1.00 0.00 C ATOM 202 C SER A 13 -15.786 4.372 -4.974 1.00 0.00 C ATOM 203 O SER A 13 -16.538 5.284 -4.629 1.00 0.00 O ATOM 204 CB SER A 13 -16.167 2.325 -3.587 1.00 0.00 C ATOM 205 OG SER A 13 -16.849 3.129 -2.640 1.00 0.00 O ATOM 0 H SER A 13 -14.649 1.706 -5.541 1.00 0.00 H new ATOM 0 HA SER A 13 -17.308 2.909 -5.312 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.589 1.320 -3.586 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.119 2.231 -3.301 1.00 0.00 H new ATOM 0 HG SER A 13 -16.772 2.724 -1.751 1.00 0.00 H new ATOM 211 N LYS A 14 -14.528 4.576 -5.348 1.00 0.00 N ATOM 212 CA LYS A 14 -13.945 5.912 -5.378 1.00 0.00 C ATOM 213 C LYS A 14 -14.684 6.806 -6.367 1.00 0.00 C ATOM 214 O LYS A 14 -15.366 7.753 -5.973 1.00 0.00 O ATOM 215 CB LYS A 14 -12.463 5.836 -5.752 1.00 0.00 C ATOM 216 CG LYS A 14 -11.622 6.940 -5.136 1.00 0.00 C ATOM 217 CD LYS A 14 -12.196 8.314 -5.441 1.00 0.00 C ATOM 218 CE LYS A 14 -12.216 8.589 -6.937 1.00 0.00 C ATOM 219 NZ LYS A 14 -11.313 9.714 -7.306 1.00 0.00 N ATOM 0 H LYS A 14 -13.892 3.832 -5.635 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.041 6.345 -4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.067 4.871 -5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.368 5.881 -6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.568 6.798 -4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.603 6.878 -5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.209 8.383 -5.044 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.603 9.077 -4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.915 7.690 -7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.234 8.823 -7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.355 9.870 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.615 10.578 -6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.338 9.481 -7.031 1.00 0.00 H new ATOM 233 N ILE A 15 -14.547 6.500 -7.653 1.00 0.00 N ATOM 234 CA ILE A 15 -15.205 7.275 -8.697 1.00 0.00 C ATOM 235 C ILE A 15 -16.715 7.304 -8.492 1.00 0.00 C ATOM 236 O ILE A 15 -17.360 8.335 -8.687 1.00 0.00 O ATOM 237 CB ILE A 15 -14.899 6.708 -10.096 1.00 0.00 C ATOM 238 CG1 ILE A 15 -13.395 6.478 -10.260 1.00 0.00 C ATOM 239 CG2 ILE A 15 -15.418 7.648 -11.174 1.00 0.00 C ATOM 240 CD1 ILE A 15 -13.023 5.025 -10.453 1.00 0.00 C ATOM 0 H ILE A 15 -13.986 5.721 -7.997 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.813 8.290 -8.631 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.407 5.750 -10.202 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.039 7.052 -11.115 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.879 6.863 -9.381 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.194 7.233 -12.157 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.496 7.765 -11.067 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.936 8.620 -11.072 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.942 4.938 -10.562 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.348 4.448 -9.587 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -13.511 4.640 -11.349 1.00 0.00 H new ATOM 252 N LEU A 16 -17.275 6.166 -8.095 1.00 0.00 N ATOM 253 CA LEU A 16 -18.710 6.060 -7.860 1.00 0.00 C ATOM 254 C LEU A 16 -19.150 7.002 -6.743 1.00 0.00 C ATOM 255 O LEU A 16 -19.979 7.887 -6.954 1.00 0.00 O ATOM 256 CB LEU A 16 -19.085 4.620 -7.506 1.00 0.00 C ATOM 257 CG LEU A 16 -19.440 3.710 -8.682 1.00 0.00 C ATOM 258 CD1 LEU A 16 -20.808 4.069 -9.240 1.00 0.00 C ATOM 259 CD2 LEU A 16 -18.378 3.803 -9.768 1.00 0.00 C ATOM 0 H LEU A 16 -16.756 5.304 -7.929 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.225 6.347 -8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.252 4.172 -6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.934 4.644 -6.822 1.00 0.00 H new ATOM 0 HG LEU A 16 -19.475 2.681 -8.323 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -21.044 3.411 -10.076 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -21.561 3.950 -8.461 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -20.801 5.104 -9.583 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.647 3.149 -10.597 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.311 4.831 -10.124 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -17.414 3.496 -9.362 1.00 0.00 H new ATOM 271 N ASP A 17 -18.588 6.806 -5.556 1.00 0.00 N ATOM 272 CA ASP A 17 -18.919 7.639 -4.406 1.00 0.00 C ATOM 273 C ASP A 17 -18.555 9.097 -4.668 1.00 0.00 C ATOM 274 O ASP A 17 -19.267 10.010 -4.250 1.00 0.00 O ATOM 275 CB ASP A 17 -18.193 7.135 -3.158 1.00 0.00 C ATOM 276 CG ASP A 17 -18.629 7.862 -1.901 1.00 0.00 C ATOM 277 OD1 ASP A 17 -18.373 9.081 -1.801 1.00 0.00 O ATOM 278 OD2 ASP A 17 -19.227 7.213 -1.017 1.00 0.00 O ATOM 0 H ASP A 17 -17.901 6.077 -5.365 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.995 7.576 -4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.379 6.067 -3.040 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.118 7.259 -3.292 1.00 0.00 H new ATOM 283 N ASP A 18 -17.441 9.307 -5.361 1.00 0.00 N ATOM 284 CA ASP A 18 -16.982 10.654 -5.679 1.00 0.00 C ATOM 285 C ASP A 18 -17.967 11.360 -6.606 1.00 0.00 C ATOM 286 O ASP A 18 -18.486 12.426 -6.279 1.00 0.00 O ATOM 287 CB ASP A 18 -15.598 10.604 -6.329 1.00 0.00 C ATOM 288 CG ASP A 18 -15.214 11.919 -6.978 1.00 0.00 C ATOM 289 OD1 ASP A 18 -15.369 12.971 -6.322 1.00 0.00 O ATOM 290 OD2 ASP A 18 -14.761 11.897 -8.141 1.00 0.00 O ATOM 0 H ASP A 18 -16.840 8.562 -5.713 1.00 0.00 H new ATOM 0 HA ASP A 18 -16.918 11.218 -4.749 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.855 10.344 -5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.581 9.813 -7.079 1.00 0.00 H new ATOM 295 N ALA A 19 -18.217 10.757 -7.764 1.00 0.00 N ATOM 296 CA ALA A 19 -19.140 11.327 -8.737 1.00 0.00 C ATOM 297 C ALA A 19 -20.512 11.570 -8.117 1.00 0.00 C ATOM 298 O ALA A 19 -21.097 12.642 -8.276 1.00 0.00 O ATOM 299 CB ALA A 19 -19.261 10.414 -9.948 1.00 0.00 C ATOM 0 H ALA A 19 -17.793 9.875 -8.051 1.00 0.00 H new ATOM 0 HA ALA A 19 -18.740 12.289 -9.059 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -19.954 10.852 -10.666 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.282 10.295 -10.413 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -19.634 9.439 -9.633 1.00 0.00 H new ATOM 305 N LYS A 20 -21.021 10.568 -7.409 1.00 0.00 N ATOM 306 CA LYS A 20 -22.325 10.671 -6.763 1.00 0.00 C ATOM 307 C LYS A 20 -22.319 11.762 -5.697 1.00 0.00 C ATOM 308 O LYS A 20 -23.291 12.502 -5.547 1.00 0.00 O ATOM 309 CB LYS A 20 -22.713 9.331 -6.134 1.00 0.00 C ATOM 310 CG LYS A 20 -23.578 8.465 -7.033 1.00 0.00 C ATOM 311 CD LYS A 20 -22.827 7.236 -7.515 1.00 0.00 C ATOM 312 CE LYS A 20 -22.138 7.489 -8.847 1.00 0.00 C ATOM 313 NZ LYS A 20 -22.861 6.842 -9.977 1.00 0.00 N ATOM 0 H LYS A 20 -20.550 9.674 -7.268 1.00 0.00 H new ATOM 0 HA LYS A 20 -23.060 10.934 -7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -21.806 8.783 -5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -23.246 9.518 -5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -24.472 8.157 -6.491 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -23.911 9.049 -7.891 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -22.086 6.946 -6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -23.521 6.401 -7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -22.073 8.563 -9.024 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -21.117 7.111 -8.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -22.360 7.038 -10.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -22.901 5.815 -9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -23.828 7.221 -10.033 1.00 0.00 H new ATOM 327 N ALA A 21 -21.217 11.857 -4.960 1.00 0.00 N ATOM 328 CA ALA A 21 -21.083 12.860 -3.911 1.00 0.00 C ATOM 329 C ALA A 21 -21.081 14.269 -4.495 1.00 0.00 C ATOM 330 O ALA A 21 -21.695 15.181 -3.941 1.00 0.00 O ATOM 331 CB ALA A 21 -19.814 12.618 -3.107 1.00 0.00 C ATOM 0 H ALA A 21 -20.404 11.251 -5.070 1.00 0.00 H new ATOM 0 HA ALA A 21 -21.943 12.771 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -19.727 13.375 -2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.856 11.629 -2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -18.948 12.676 -3.767 1.00 0.00 H new ATOM 337 N GLU A 22 -20.387 14.439 -5.616 1.00 0.00 N ATOM 338 CA GLU A 22 -20.305 15.738 -6.273 1.00 0.00 C ATOM 339 C GLU A 22 -21.689 16.227 -6.688 1.00 0.00 C ATOM 340 O GLU A 22 -22.003 17.410 -6.567 1.00 0.00 O ATOM 341 CB GLU A 22 -19.392 15.657 -7.499 1.00 0.00 C ATOM 342 CG GLU A 22 -18.492 16.869 -7.669 1.00 0.00 C ATOM 343 CD GLU A 22 -17.318 16.600 -8.590 1.00 0.00 C ATOM 344 OE1 GLU A 22 -17.546 16.421 -9.804 1.00 0.00 O ATOM 345 OE2 GLU A 22 -16.172 16.567 -8.096 1.00 0.00 O ATOM 0 H GLU A 22 -19.874 13.694 -6.088 1.00 0.00 H new ATOM 0 HA GLU A 22 -19.886 16.450 -5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.773 14.763 -7.422 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.006 15.543 -8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -19.077 17.699 -8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.119 17.180 -6.693 1.00 0.00 H new ATOM 352 N ALA A 23 -22.513 15.306 -7.177 1.00 0.00 N ATOM 353 CA ALA A 23 -23.865 15.642 -7.609 1.00 0.00 C ATOM 354 C ALA A 23 -24.814 15.735 -6.419 1.00 0.00 C ATOM 355 O ALA A 23 -25.857 16.383 -6.494 1.00 0.00 O ATOM 356 CB ALA A 23 -24.370 14.614 -8.610 1.00 0.00 C ATOM 0 H ALA A 23 -22.268 14.322 -7.284 1.00 0.00 H new ATOM 0 HA ALA A 23 -23.833 16.618 -8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.380 14.877 -8.924 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.712 14.599 -9.479 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.380 13.628 -8.145 1.00 0.00 H new ATOM 362 N ASN A 24 -24.445 15.082 -5.321 1.00 0.00 N ATOM 363 CA ASN A 24 -25.264 15.090 -4.115 1.00 0.00 C ATOM 364 C ASN A 24 -24.987 16.335 -3.277 1.00 0.00 C ATOM 365 O ASN A 24 -25.839 16.783 -2.510 1.00 0.00 O ATOM 366 CB ASN A 24 -24.999 13.833 -3.285 1.00 0.00 C ATOM 367 CG ASN A 24 -25.932 12.694 -3.647 1.00 0.00 C ATOM 368 OD1 ASN A 24 -27.124 12.901 -3.877 1.00 0.00 O ATOM 369 ND2 ASN A 24 -25.393 11.481 -3.699 1.00 0.00 N ATOM 0 H ASN A 24 -23.584 14.541 -5.242 1.00 0.00 H new ATOM 0 HA ASN A 24 -26.311 15.103 -4.417 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -23.967 13.515 -3.432 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -25.112 14.069 -2.227 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -25.972 10.676 -3.937 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -24.400 11.355 -3.501 1.00 0.00 H new ATOM 376 N LYS A 25 -23.789 16.889 -3.430 1.00 0.00 N ATOM 377 CA LYS A 25 -23.397 18.082 -2.689 1.00 0.00 C ATOM 378 C LYS A 25 -23.760 19.346 -3.463 1.00 0.00 C ATOM 379 O LYS A 25 -23.866 20.429 -2.887 1.00 0.00 O ATOM 380 CB LYS A 25 -21.894 18.060 -2.403 1.00 0.00 C ATOM 381 CG LYS A 25 -21.548 18.329 -0.949 1.00 0.00 C ATOM 382 CD LYS A 25 -22.044 17.215 -0.042 1.00 0.00 C ATOM 383 CE LYS A 25 -21.049 16.915 1.068 1.00 0.00 C ATOM 384 NZ LYS A 25 -21.311 17.735 2.284 1.00 0.00 N ATOM 0 H LYS A 25 -23.072 16.530 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 25 -23.940 18.087 -1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -21.492 17.088 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -21.403 18.805 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.468 18.431 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -21.989 19.276 -0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -23.002 17.499 0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.216 16.314 -0.631 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.100 15.857 1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.037 17.108 0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -20.612 17.501 3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -21.237 18.744 2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.267 17.532 2.640 1.00 0.00 H new ATOM 398 N ILE A 26 -23.950 19.199 -4.770 1.00 0.00 N ATOM 399 CA ILE A 26 -24.303 20.329 -5.622 1.00 0.00 C ATOM 400 C ILE A 26 -25.812 20.546 -5.649 1.00 0.00 C ATOM 401 O ILE A 26 -26.284 21.660 -5.877 1.00 0.00 O ATOM 402 CB ILE A 26 -23.798 20.126 -7.063 1.00 0.00 C ATOM 403 CG1 ILE A 26 -23.694 21.472 -7.783 1.00 0.00 C ATOM 404 CG2 ILE A 26 -24.722 19.184 -7.820 1.00 0.00 C ATOM 405 CD1 ILE A 26 -22.637 22.387 -7.205 1.00 0.00 C ATOM 0 H ILE A 26 -23.866 18.310 -5.262 1.00 0.00 H new ATOM 0 HA ILE A 26 -23.820 21.209 -5.197 1.00 0.00 H new ATOM 0 HB ILE A 26 -22.805 19.677 -7.026 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -23.474 21.296 -8.836 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.661 21.974 -7.739 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.352 19.050 -8.837 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -24.751 18.219 -7.315 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -25.726 19.607 -7.852 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -22.620 23.322 -7.765 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -22.867 22.594 -6.160 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -21.662 21.905 -7.273 1.00 0.00 H new ATOM 417 N ILE A 27 -26.562 19.475 -5.413 1.00 0.00 N ATOM 418 CA ILE A 27 -28.018 19.550 -5.408 1.00 0.00 C ATOM 419 C ILE A 27 -28.535 20.117 -4.090 1.00 0.00 C ATOM 420 O ILE A 27 -29.588 20.754 -4.047 1.00 0.00 O ATOM 421 CB ILE A 27 -28.653 18.166 -5.642 1.00 0.00 C ATOM 422 CG1 ILE A 27 -28.121 17.157 -4.623 1.00 0.00 C ATOM 423 CG2 ILE A 27 -28.378 17.690 -7.061 1.00 0.00 C ATOM 424 CD1 ILE A 27 -29.177 16.652 -3.665 1.00 0.00 C ATOM 0 H ILE A 27 -26.186 18.546 -5.223 1.00 0.00 H new ATOM 0 HA ILE A 27 -28.303 20.215 -6.223 1.00 0.00 H new ATOM 0 HB ILE A 27 -29.732 18.251 -5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -27.689 16.309 -5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -27.316 17.619 -4.052 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -28.833 16.711 -7.211 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -28.802 18.400 -7.771 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -27.302 17.618 -7.218 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -28.729 15.941 -2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -29.593 17.491 -3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -29.972 16.160 -4.226 1.00 0.00 H new ATOM 436 N SER A 28 -27.785 19.884 -3.017 1.00 0.00 N ATOM 437 CA SER A 28 -28.168 20.371 -1.697 1.00 0.00 C ATOM 438 C SER A 28 -27.660 21.792 -1.474 1.00 0.00 C ATOM 439 O SER A 28 -28.423 22.683 -1.102 1.00 0.00 O ATOM 440 CB SER A 28 -27.620 19.444 -0.610 1.00 0.00 C ATOM 441 OG SER A 28 -28.665 18.728 0.025 1.00 0.00 O ATOM 0 H SER A 28 -26.909 19.361 -3.036 1.00 0.00 H new ATOM 0 HA SER A 28 -29.257 20.380 -1.641 1.00 0.00 H new ATOM 0 HB2 SER A 28 -26.910 18.743 -1.049 1.00 0.00 H new ATOM 0 HB3 SER A 28 -27.074 20.029 0.130 1.00 0.00 H new ATOM 0 HG SER A 28 -28.288 18.142 0.714 1.00 0.00 H new ATOM 447 N GLU A 29 -26.367 21.994 -1.703 1.00 0.00 N ATOM 448 CA GLU A 29 -25.756 23.307 -1.526 1.00 0.00 C ATOM 449 C GLU A 29 -26.420 24.342 -2.430 1.00 0.00 C ATOM 450 O GLU A 29 -26.339 25.544 -2.179 1.00 0.00 O ATOM 451 CB GLU A 29 -24.257 23.241 -1.823 1.00 0.00 C ATOM 452 CG GLU A 29 -23.446 24.303 -1.100 1.00 0.00 C ATOM 453 CD GLU A 29 -23.072 23.892 0.311 1.00 0.00 C ATOM 454 OE1 GLU A 29 -22.484 22.802 0.475 1.00 0.00 O ATOM 455 OE2 GLU A 29 -23.367 24.659 1.251 1.00 0.00 O ATOM 0 H GLU A 29 -25.722 21.266 -2.011 1.00 0.00 H new ATOM 0 HA GLU A 29 -25.900 23.610 -0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -23.883 22.256 -1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -24.103 23.347 -2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -22.538 24.510 -1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -24.018 25.230 -1.065 1.00 0.00 H new ATOM 462 N ALA A 30 -27.076 23.865 -3.483 1.00 0.00 N ATOM 463 CA ALA A 30 -27.755 24.748 -4.424 1.00 0.00 C ATOM 464 C ALA A 30 -29.137 25.137 -3.911 1.00 0.00 C ATOM 465 O ALA A 30 -29.369 26.286 -3.536 1.00 0.00 O ATOM 466 CB ALA A 30 -27.863 24.082 -5.787 1.00 0.00 C ATOM 0 H ALA A 30 -27.152 22.873 -3.706 1.00 0.00 H new ATOM 0 HA ALA A 30 -27.164 25.658 -4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -28.372 24.752 -6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -26.865 23.860 -6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -28.430 23.156 -5.695 1.00 0.00 H new ATOM 472 N GLU A 31 -30.052 24.173 -3.899 1.00 0.00 N ATOM 473 CA GLU A 31 -31.412 24.417 -3.434 1.00 0.00 C ATOM 474 C GLU A 31 -31.406 25.096 -2.067 1.00 0.00 C ATOM 475 O GLU A 31 -32.303 25.875 -1.745 1.00 0.00 O ATOM 476 CB GLU A 31 -32.193 23.103 -3.359 1.00 0.00 C ATOM 477 CG GLU A 31 -31.804 22.230 -2.178 1.00 0.00 C ATOM 478 CD GLU A 31 -32.424 20.848 -2.244 1.00 0.00 C ATOM 479 OE1 GLU A 31 -33.070 20.537 -3.267 1.00 0.00 O ATOM 480 OE2 GLU A 31 -32.264 20.078 -1.275 1.00 0.00 O ATOM 0 H GLU A 31 -29.876 23.216 -4.206 1.00 0.00 H new ATOM 0 HA GLU A 31 -31.899 25.081 -4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -33.258 23.326 -3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -32.035 22.543 -4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -30.719 22.136 -2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -32.112 22.718 -1.253 1.00 0.00 H new ATOM 487 N ALA A 32 -30.389 24.794 -1.267 1.00 0.00 N ATOM 488 CA ALA A 32 -30.264 25.375 0.063 1.00 0.00 C ATOM 489 C ALA A 32 -30.100 26.890 -0.012 1.00 0.00 C ATOM 490 O ALA A 32 -30.989 27.640 0.388 1.00 0.00 O ATOM 491 CB ALA A 32 -29.091 24.752 0.804 1.00 0.00 C ATOM 0 H ALA A 32 -29.639 24.150 -1.518 1.00 0.00 H new ATOM 0 HA ALA A 32 -31.181 25.162 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -29.010 25.196 1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -29.250 23.678 0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -28.171 24.935 0.249 1.00 0.00 H new ATOM 497 N GLU A 33 -28.956 27.331 -0.527 1.00 0.00 N ATOM 498 CA GLU A 33 -28.676 28.757 -0.653 1.00 0.00 C ATOM 499 C GLU A 33 -29.715 29.439 -1.538 1.00 0.00 C ATOM 500 O GLU A 33 -30.119 30.573 -1.280 1.00 0.00 O ATOM 501 CB GLU A 33 -27.276 28.975 -1.231 1.00 0.00 C ATOM 502 CG GLU A 33 -27.108 28.433 -2.641 1.00 0.00 C ATOM 503 CD GLU A 33 -25.653 28.311 -3.049 1.00 0.00 C ATOM 504 OE1 GLU A 33 -24.774 28.571 -2.201 1.00 0.00 O ATOM 505 OE2 GLU A 33 -25.393 27.954 -4.217 1.00 0.00 O ATOM 0 H GLU A 33 -28.210 26.723 -0.863 1.00 0.00 H new ATOM 0 HA GLU A 33 -28.724 29.200 0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -27.055 30.042 -1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -26.544 28.499 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -27.584 27.455 -2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -27.624 29.088 -3.342 1.00 0.00 H new ATOM 512 N LYS A 34 -30.144 28.740 -2.584 1.00 0.00 N ATOM 513 CA LYS A 34 -31.136 29.276 -3.508 1.00 0.00 C ATOM 514 C LYS A 34 -32.460 29.535 -2.795 1.00 0.00 C ATOM 515 O LYS A 34 -33.016 30.630 -2.877 1.00 0.00 O ATOM 516 CB LYS A 34 -31.353 28.308 -4.673 1.00 0.00 C ATOM 517 CG LYS A 34 -32.331 28.822 -5.717 1.00 0.00 C ATOM 518 CD LYS A 34 -31.922 28.401 -7.118 1.00 0.00 C ATOM 519 CE LYS A 34 -32.363 29.420 -8.157 1.00 0.00 C ATOM 520 NZ LYS A 34 -32.915 28.767 -9.376 1.00 0.00 N ATOM 0 H LYS A 34 -29.820 27.800 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 34 -30.761 30.223 -3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -30.394 28.109 -5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -31.718 27.358 -4.282 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -33.330 28.443 -5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -32.384 29.909 -5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -30.840 28.281 -7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -32.360 27.430 -7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -33.117 30.077 -7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -31.515 30.047 -8.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -33.204 29.496 -10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -32.187 28.160 -9.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -33.740 28.189 -9.117 1.00 0.00 H new ATOM 534 N ALA A 35 -32.958 28.521 -2.096 1.00 0.00 N ATOM 535 CA ALA A 35 -34.214 28.641 -1.366 1.00 0.00 C ATOM 536 C ALA A 35 -34.085 29.625 -0.208 1.00 0.00 C ATOM 537 O ALA A 35 -35.084 30.113 0.321 1.00 0.00 O ATOM 538 CB ALA A 35 -34.660 27.279 -0.855 1.00 0.00 C ATOM 0 H ALA A 35 -32.511 27.607 -2.020 1.00 0.00 H new ATOM 0 HA ALA A 35 -34.969 29.025 -2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -35.599 27.384 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -34.802 26.603 -1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -33.899 26.873 -0.189 1.00 0.00 H new ATOM 544 N LYS A 36 -32.848 29.914 0.181 1.00 0.00 N ATOM 545 CA LYS A 36 -32.587 30.841 1.276 1.00 0.00 C ATOM 546 C LYS A 36 -32.685 32.287 0.800 1.00 0.00 C ATOM 547 O LYS A 36 -33.373 33.105 1.411 1.00 0.00 O ATOM 548 CB LYS A 36 -31.201 30.582 1.871 1.00 0.00 C ATOM 549 CG LYS A 36 -30.803 31.581 2.944 1.00 0.00 C ATOM 550 CD LYS A 36 -29.412 31.295 3.484 1.00 0.00 C ATOM 551 CE LYS A 36 -28.350 32.089 2.739 1.00 0.00 C ATOM 552 NZ LYS A 36 -27.264 32.552 3.647 1.00 0.00 N ATOM 0 H LYS A 36 -32.010 29.519 -0.246 1.00 0.00 H new ATOM 0 HA LYS A 36 -33.342 30.678 2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -31.179 29.578 2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -30.461 30.607 1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -30.834 32.590 2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -31.525 31.547 3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -29.375 31.542 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -29.199 30.230 3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -27.924 31.472 1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -28.812 32.950 2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -26.560 33.089 3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -27.667 33.162 4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -26.806 31.729 4.088 1.00 0.00 H new ATOM 566 N ILE A 37 -31.996 32.593 -0.293 1.00 0.00 N ATOM 567 CA ILE A 37 -32.009 33.940 -0.852 1.00 0.00 C ATOM 568 C ILE A 37 -33.330 34.230 -1.556 1.00 0.00 C ATOM 569 O ILE A 37 -33.771 35.378 -1.623 1.00 0.00 O ATOM 570 CB ILE A 37 -30.852 34.147 -1.848 1.00 0.00 C ATOM 571 CG1 ILE A 37 -30.866 33.050 -2.914 1.00 0.00 C ATOM 572 CG2 ILE A 37 -29.519 34.164 -1.115 1.00 0.00 C ATOM 573 CD1 ILE A 37 -30.661 33.571 -4.319 1.00 0.00 C ATOM 0 H ILE A 37 -31.421 31.927 -0.810 1.00 0.00 H new ATOM 0 HA ILE A 37 -31.886 34.630 -0.017 1.00 0.00 H new ATOM 0 HB ILE A 37 -30.985 35.109 -2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -30.086 32.324 -2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -31.818 32.521 -2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -28.711 34.311 -1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -29.513 34.978 -0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -29.376 33.215 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -30.683 32.739 -5.022 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -31.456 34.275 -4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -29.697 34.075 -4.383 1.00 0.00 H new ATOM 585 N LEU A 38 -33.958 33.183 -2.079 1.00 0.00 N ATOM 586 CA LEU A 38 -35.231 33.324 -2.777 1.00 0.00 C ATOM 587 C LEU A 38 -36.327 33.787 -1.822 1.00 0.00 C ATOM 588 O LEU A 38 -37.177 34.599 -2.185 1.00 0.00 O ATOM 589 CB LEU A 38 -35.630 31.998 -3.425 1.00 0.00 C ATOM 590 CG LEU A 38 -35.195 31.803 -4.878 1.00 0.00 C ATOM 591 CD1 LEU A 38 -33.869 32.502 -5.137 1.00 0.00 C ATOM 592 CD2 LEU A 38 -35.093 30.322 -5.211 1.00 0.00 C ATOM 0 H LEU A 38 -33.606 32.227 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 38 -35.109 34.078 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -35.213 31.186 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -36.715 31.905 -3.376 1.00 0.00 H new ATOM 0 HG LEU A 38 -35.950 32.249 -5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -33.576 32.352 -6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -33.976 33.569 -4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -33.104 32.087 -4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -34.782 30.203 -6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -34.359 29.852 -4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -36.064 29.849 -5.067 1.00 0.00 H new ATOM 604 N GLU A 39 -36.299 33.265 -0.600 1.00 0.00 N ATOM 605 CA GLU A 39 -37.291 33.626 0.407 1.00 0.00 C ATOM 606 C GLU A 39 -36.826 34.830 1.221 1.00 0.00 C ATOM 607 O GLU A 39 -37.638 35.622 1.699 1.00 0.00 O ATOM 608 CB GLU A 39 -37.560 32.441 1.337 1.00 0.00 C ATOM 609 CG GLU A 39 -38.571 31.451 0.784 1.00 0.00 C ATOM 610 CD GLU A 39 -40.001 31.826 1.124 1.00 0.00 C ATOM 611 OE1 GLU A 39 -40.376 32.996 0.906 1.00 0.00 O ATOM 612 OE2 GLU A 39 -40.745 30.947 1.608 1.00 0.00 O ATOM 0 H GLU A 39 -35.601 32.592 -0.283 1.00 0.00 H new ATOM 0 HA GLU A 39 -38.214 33.892 -0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -36.622 31.920 1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -37.918 32.816 2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -38.462 31.393 -0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -38.356 30.458 1.180 1.00 0.00 H new ATOM 619 N LYS A 40 -35.512 34.961 1.375 1.00 0.00 N ATOM 620 CA LYS A 40 -34.937 36.068 2.130 1.00 0.00 C ATOM 621 C LYS A 40 -35.006 37.365 1.331 1.00 0.00 C ATOM 622 O LYS A 40 -35.393 38.408 1.856 1.00 0.00 O ATOM 623 CB LYS A 40 -33.484 35.759 2.498 1.00 0.00 C ATOM 624 CG LYS A 40 -32.829 36.838 3.344 1.00 0.00 C ATOM 625 CD LYS A 40 -32.205 36.257 4.602 1.00 0.00 C ATOM 626 CE LYS A 40 -31.599 37.344 5.477 1.00 0.00 C ATOM 627 NZ LYS A 40 -30.665 36.783 6.491 1.00 0.00 N ATOM 0 H LYS A 40 -34.826 34.314 0.987 1.00 0.00 H new ATOM 0 HA LYS A 40 -35.518 36.194 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -33.448 34.813 3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -32.907 35.626 1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -32.063 37.346 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -33.571 37.588 3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -32.962 35.713 5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -31.434 35.537 4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -31.067 38.060 4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -32.396 37.891 5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -30.273 37.555 7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -31.178 36.119 7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -29.890 36.283 6.010 1.00 0.00 H new ATOM 641 N ALA A 41 -34.629 37.292 0.058 1.00 0.00 N ATOM 642 CA ALA A 41 -34.652 38.460 -0.813 1.00 0.00 C ATOM 643 C ALA A 41 -36.083 38.891 -1.116 1.00 0.00 C ATOM 644 O ALA A 41 -36.465 40.034 -0.863 1.00 0.00 O ATOM 645 CB ALA A 41 -33.902 38.170 -2.105 1.00 0.00 C ATOM 0 H ALA A 41 -34.304 36.436 -0.392 1.00 0.00 H new ATOM 0 HA ALA A 41 -34.156 39.279 -0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -33.927 39.051 -2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -32.867 37.918 -1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -34.374 37.333 -2.620 1.00 0.00 H new ATOM 651 N LYS A 42 -36.871 37.970 -1.660 1.00 0.00 N ATOM 652 CA LYS A 42 -38.261 38.253 -1.998 1.00 0.00 C ATOM 653 C LYS A 42 -39.005 38.832 -0.798 1.00 0.00 C ATOM 654 O LYS A 42 -39.952 39.601 -0.957 1.00 0.00 O ATOM 655 CB LYS A 42 -38.960 36.980 -2.479 1.00 0.00 C ATOM 656 CG LYS A 42 -38.516 36.527 -3.859 1.00 0.00 C ATOM 657 CD LYS A 42 -39.283 35.298 -4.316 1.00 0.00 C ATOM 658 CE LYS A 42 -40.653 35.667 -4.863 1.00 0.00 C ATOM 659 NZ LYS A 42 -40.814 35.252 -6.284 1.00 0.00 N ATOM 0 H LYS A 42 -36.570 37.020 -1.877 1.00 0.00 H new ATOM 0 HA LYS A 42 -38.271 38.991 -2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -38.770 36.179 -1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -40.037 37.149 -2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -38.665 37.336 -4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -37.449 36.306 -3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -38.712 34.776 -5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -39.398 34.608 -3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -41.425 35.194 -4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -40.799 36.744 -4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -41.761 35.522 -6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -40.093 35.723 -6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -40.701 34.221 -6.360 1.00 0.00 H new ATOM 673 N GLU A 43 -38.568 38.457 0.400 1.00 0.00 N ATOM 674 CA GLU A 43 -39.194 38.941 1.626 1.00 0.00 C ATOM 675 C GLU A 43 -38.604 40.284 2.044 1.00 0.00 C ATOM 676 O GLU A 43 -39.302 41.297 2.074 1.00 0.00 O ATOM 677 CB GLU A 43 -39.016 37.920 2.752 1.00 0.00 C ATOM 678 CG GLU A 43 -39.505 38.414 4.103 1.00 0.00 C ATOM 679 CD GLU A 43 -40.473 37.449 4.761 1.00 0.00 C ATOM 680 OE1 GLU A 43 -40.197 36.231 4.746 1.00 0.00 O ATOM 681 OE2 GLU A 43 -41.505 37.912 5.291 1.00 0.00 O ATOM 0 H GLU A 43 -37.785 37.821 0.548 1.00 0.00 H new ATOM 0 HA GLU A 43 -40.258 39.076 1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -39.553 37.008 2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -37.961 37.658 2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -38.650 38.570 4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -39.991 39.382 3.978 1.00 0.00 H new ATOM 688 N GLU A 44 -37.314 40.284 2.367 1.00 0.00 N ATOM 689 CA GLU A 44 -36.631 41.502 2.785 1.00 0.00 C ATOM 690 C GLU A 44 -36.890 42.637 1.798 1.00 0.00 C ATOM 691 O GLU A 44 -36.996 43.800 2.186 1.00 0.00 O ATOM 692 CB GLU A 44 -35.127 41.253 2.910 1.00 0.00 C ATOM 693 CG GLU A 44 -34.419 41.116 1.572 1.00 0.00 C ATOM 694 CD GLU A 44 -33.103 40.371 1.682 1.00 0.00 C ATOM 695 OE1 GLU A 44 -32.847 39.775 2.749 1.00 0.00 O ATOM 696 OE2 GLU A 44 -32.330 40.384 0.702 1.00 0.00 O ATOM 0 H GLU A 44 -36.722 39.454 2.347 1.00 0.00 H new ATOM 0 HA GLU A 44 -37.025 41.793 3.759 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -34.676 42.074 3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -34.965 40.346 3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -35.071 40.593 0.872 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -34.237 42.108 1.158 1.00 0.00 H new ATOM 703 N ALA A 45 -36.990 42.289 0.519 1.00 0.00 N ATOM 704 CA ALA A 45 -37.237 43.277 -0.524 1.00 0.00 C ATOM 705 C ALA A 45 -38.604 43.929 -0.350 1.00 0.00 C ATOM 706 O ALA A 45 -38.700 45.120 -0.058 1.00 0.00 O ATOM 707 CB ALA A 45 -37.129 42.632 -1.898 1.00 0.00 C ATOM 0 H ALA A 45 -36.904 41.331 0.181 1.00 0.00 H new ATOM 0 HA ALA A 45 -36.479 44.056 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -37.316 43.381 -2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -36.129 42.219 -2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -37.865 41.833 -1.984 1.00 0.00 H new ATOM 713 N GLU A 46 -39.659 43.140 -0.531 1.00 0.00 N ATOM 714 CA GLU A 46 -41.021 43.643 -0.395 1.00 0.00 C ATOM 715 C GLU A 46 -41.227 44.292 0.971 1.00 0.00 C ATOM 716 O GLU A 46 -41.938 45.289 1.096 1.00 0.00 O ATOM 717 CB GLU A 46 -42.029 42.508 -0.590 1.00 0.00 C ATOM 718 CG GLU A 46 -41.971 41.449 0.498 1.00 0.00 C ATOM 719 CD GLU A 46 -42.963 40.325 0.271 1.00 0.00 C ATOM 720 OE1 GLU A 46 -42.938 39.724 -0.824 1.00 0.00 O ATOM 721 OE2 GLU A 46 -43.765 40.046 1.186 1.00 0.00 O ATOM 0 H GLU A 46 -39.597 42.151 -0.772 1.00 0.00 H new ATOM 0 HA GLU A 46 -41.181 44.398 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -43.034 42.928 -0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -41.849 42.035 -1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -40.963 41.036 0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -42.169 41.914 1.464 1.00 0.00 H new ATOM 728 N LYS A 47 -40.600 43.718 1.992 1.00 0.00 N ATOM 729 CA LYS A 47 -40.713 44.239 3.349 1.00 0.00 C ATOM 730 C LYS A 47 -40.051 45.609 3.463 1.00 0.00 C ATOM 731 O LYS A 47 -40.662 46.566 3.938 1.00 0.00 O ATOM 732 CB LYS A 47 -40.075 43.268 4.345 1.00 0.00 C ATOM 733 CG LYS A 47 -40.693 43.324 5.731 1.00 0.00 C ATOM 734 CD LYS A 47 -42.155 42.908 5.707 1.00 0.00 C ATOM 735 CE LYS A 47 -43.079 44.111 5.807 1.00 0.00 C ATOM 736 NZ LYS A 47 -43.319 44.510 7.221 1.00 0.00 N ATOM 0 H LYS A 47 -40.008 42.892 1.905 1.00 0.00 H new ATOM 0 HA LYS A 47 -41.772 44.346 3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -40.164 42.253 3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -39.010 43.488 4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -40.139 42.670 6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -40.608 44.336 6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -42.364 42.363 4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -42.354 42.226 6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -42.644 44.949 5.262 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -44.031 43.879 5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -43.954 45.334 7.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -43.757 43.719 7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -42.414 44.756 7.671 1.00 0.00 H new ATOM 750 N ARG A 48 -38.800 45.695 3.023 1.00 0.00 N ATOM 751 CA ARG A 48 -38.056 46.947 3.075 1.00 0.00 C ATOM 752 C ARG A 48 -38.624 47.959 2.085 1.00 0.00 C ATOM 753 O ARG A 48 -39.296 48.915 2.473 1.00 0.00 O ATOM 754 CB ARG A 48 -36.577 46.699 2.775 1.00 0.00 C ATOM 755 CG ARG A 48 -35.760 47.975 2.645 1.00 0.00 C ATOM 756 CD ARG A 48 -34.306 47.746 3.027 1.00 0.00 C ATOM 757 NE ARG A 48 -34.061 48.025 4.440 1.00 0.00 N ATOM 758 CZ ARG A 48 -32.875 47.885 5.022 1.00 0.00 C ATOM 759 NH1 ARG A 48 -31.831 47.472 4.316 1.00 0.00 N ATOM 760 NH2 ARG A 48 -32.732 48.159 6.312 1.00 0.00 N ATOM 0 H ARG A 48 -38.280 44.912 2.626 1.00 0.00 H new ATOM 0 HA ARG A 48 -38.152 47.356 4.081 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -36.152 46.085 3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -36.493 46.128 1.850 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -35.815 48.341 1.620 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -36.187 48.749 3.283 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -34.032 46.714 2.808 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -33.666 48.382 2.416 1.00 0.00 H new ATOM 0 HE ARG A 48 -34.843 48.345 5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -31.938 47.261 3.324 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -30.921 47.365 4.765 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -33.533 48.477 6.858 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -31.821 48.051 6.758 1.00 0.00 H new ATOM 774 N LYS A 49 -38.350 47.742 0.803 1.00 0.00 N ATOM 775 CA LYS A 49 -38.834 48.633 -0.245 1.00 0.00 C ATOM 776 C LYS A 49 -40.350 48.543 -0.379 1.00 0.00 C ATOM 777 O LYS A 49 -40.996 47.743 0.297 1.00 0.00 O ATOM 778 CB LYS A 49 -38.172 48.289 -1.581 1.00 0.00 C ATOM 779 CG LYS A 49 -36.665 48.482 -1.582 1.00 0.00 C ATOM 780 CD LYS A 49 -35.935 47.166 -1.788 1.00 0.00 C ATOM 781 CE LYS A 49 -35.911 46.765 -3.255 1.00 0.00 C ATOM 782 NZ LYS A 49 -34.836 47.472 -4.005 1.00 0.00 N ATOM 0 H LYS A 49 -37.795 46.956 0.465 1.00 0.00 H new ATOM 0 HA LYS A 49 -38.572 49.654 0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -38.397 47.252 -1.832 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -38.610 48.909 -2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -36.387 49.181 -2.371 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -36.354 48.928 -0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -34.914 47.253 -1.417 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -36.421 46.384 -1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -35.762 45.688 -3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -36.877 46.988 -3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -34.852 47.172 -5.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -34.992 48.499 -3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -33.912 47.240 -3.589 1.00 0.00 H new ATOM 796 N ALA A 50 -40.913 49.368 -1.256 1.00 0.00 N ATOM 797 CA ALA A 50 -42.353 49.379 -1.480 1.00 0.00 C ATOM 798 C ALA A 50 -42.677 49.300 -2.968 1.00 0.00 C ATOM 799 O ALA A 50 -43.728 49.765 -3.409 1.00 0.00 O ATOM 800 CB ALA A 50 -42.973 50.627 -0.868 1.00 0.00 C ATOM 0 H ALA A 50 -40.393 50.038 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 50 -42.778 48.500 -0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -44.049 50.622 -1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -42.780 50.641 0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -42.535 51.513 -1.327 1.00 0.00 H new ATOM 806 N GLU A 51 -41.768 48.709 -3.737 1.00 0.00 N ATOM 807 CA GLU A 51 -41.959 48.571 -5.176 1.00 0.00 C ATOM 808 C GLU A 51 -42.783 47.328 -5.499 1.00 0.00 C ATOM 809 O GLU A 51 -43.807 47.409 -6.178 1.00 0.00 O ATOM 810 CB GLU A 51 -40.606 48.498 -5.887 1.00 0.00 C ATOM 811 CG GLU A 51 -40.161 49.821 -6.486 1.00 0.00 C ATOM 812 CD GLU A 51 -40.742 50.062 -7.866 1.00 0.00 C ATOM 813 OE1 GLU A 51 -41.082 49.071 -8.547 1.00 0.00 O ATOM 814 OE2 GLU A 51 -40.857 51.239 -8.265 1.00 0.00 O ATOM 0 H GLU A 51 -40.893 48.318 -3.388 1.00 0.00 H new ATOM 0 HA GLU A 51 -42.501 49.447 -5.531 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -39.851 48.157 -5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -40.661 47.751 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -40.459 50.634 -5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -39.073 49.841 -6.546 1.00 0.00 H new ATOM 821 N ILE A 52 -42.329 46.180 -5.008 1.00 0.00 N ATOM 822 CA ILE A 52 -43.024 44.920 -5.243 1.00 0.00 C ATOM 823 C ILE A 52 -43.345 44.215 -3.930 1.00 0.00 C ATOM 824 O ILE A 52 -43.440 44.850 -2.879 1.00 0.00 O ATOM 825 CB ILE A 52 -42.192 43.975 -6.130 1.00 0.00 C ATOM 826 CG1 ILE A 52 -40.925 43.535 -5.395 1.00 0.00 C ATOM 827 CG2 ILE A 52 -41.839 44.656 -7.444 1.00 0.00 C ATOM 828 CD1 ILE A 52 -41.068 42.205 -4.688 1.00 0.00 C ATOM 0 H ILE A 52 -41.483 46.096 -4.445 1.00 0.00 H new ATOM 0 HA ILE A 52 -43.953 45.164 -5.758 1.00 0.00 H new ATOM 0 HB ILE A 52 -42.788 43.089 -6.351 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -40.104 43.471 -6.109 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -40.654 44.298 -4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -41.251 43.976 -8.060 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -42.754 44.925 -7.972 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -41.259 45.556 -7.243 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -40.132 41.956 -4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -41.867 42.270 -3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -41.308 41.430 -5.416 1.00 0.00 H new TER 840 ILE A 52