USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 HIS : no HE2:sc= -2.65 K(o=-2.9,f=-3.6!) USER MOD Set 1.2: A 25 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0132 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -0:sc= 0.718 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -122:sc= -0.36 (180deg=-2.03!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -25:sc= 0.578 USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= -0.0737 (180deg=-0.454) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.333 X(o=-0.33,f=0.088) USER MOD Single : A 48 HIS : no HD1:sc= -13.3! C(o=-13!,f=-15!) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0424 K(o=-0.042,f=-1.3!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.384 -8.950 8.066 1.00 0.00 N ATOM 2 CA GLY A 1 -18.812 -7.823 7.353 1.00 0.00 C ATOM 3 C GLY A 1 -19.713 -7.322 6.242 1.00 0.00 C ATOM 4 O GLY A 1 -20.405 -8.107 5.594 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.641 -8.657 9.030 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.234 -9.281 7.567 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.688 -9.721 8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.621 -7.012 8.055 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.849 -8.114 6.933 1.00 0.00 H new ATOM 8 N SER A 2 -19.705 -6.012 6.021 1.00 0.00 N ATOM 9 CA SER A 2 -20.532 -5.406 4.984 1.00 0.00 C ATOM 10 C SER A 2 -19.955 -5.683 3.599 1.00 0.00 C ATOM 11 O SER A 2 -20.647 -6.193 2.717 1.00 0.00 O ATOM 12 CB SER A 2 -20.646 -3.897 5.209 1.00 0.00 C ATOM 13 OG SER A 2 -21.806 -3.375 4.586 1.00 0.00 O ATOM 0 H SER A 2 -19.135 -5.349 6.546 1.00 0.00 H new ATOM 0 HA SER A 2 -21.526 -5.850 5.041 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.678 -3.687 6.278 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.761 -3.399 4.812 1.00 0.00 H new ATOM 0 HG SER A 2 -21.857 -2.409 4.746 1.00 0.00 H new ATOM 19 N SER A 3 -18.683 -5.344 3.416 1.00 0.00 N ATOM 20 CA SER A 3 -18.013 -5.553 2.138 1.00 0.00 C ATOM 21 C SER A 3 -18.181 -6.994 1.665 1.00 0.00 C ATOM 22 O SER A 3 -18.742 -7.829 2.372 1.00 0.00 O ATOM 23 CB SER A 3 -16.526 -5.213 2.256 1.00 0.00 C ATOM 24 OG SER A 3 -15.914 -5.958 3.294 1.00 0.00 O ATOM 0 H SER A 3 -18.096 -4.924 4.136 1.00 0.00 H new ATOM 0 HA SER A 3 -18.472 -4.892 1.403 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.026 -5.422 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.408 -4.147 2.451 1.00 0.00 H new ATOM 0 HG SER A 3 -14.964 -5.724 3.348 1.00 0.00 H new ATOM 30 N GLY A 4 -17.689 -7.276 0.462 1.00 0.00 N ATOM 31 CA GLY A 4 -17.794 -8.616 -0.086 1.00 0.00 C ATOM 32 C GLY A 4 -17.106 -8.748 -1.430 1.00 0.00 C ATOM 33 O GLY A 4 -16.051 -8.155 -1.656 1.00 0.00 O ATOM 0 H GLY A 4 -17.220 -6.601 -0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.356 -9.327 0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.846 -8.880 -0.192 1.00 0.00 H new ATOM 37 N SER A 5 -17.703 -9.528 -2.325 1.00 0.00 N ATOM 38 CA SER A 5 -17.137 -9.741 -3.652 1.00 0.00 C ATOM 39 C SER A 5 -16.456 -8.475 -4.162 1.00 0.00 C ATOM 40 O SER A 5 -15.399 -8.535 -4.789 1.00 0.00 O ATOM 41 CB SER A 5 -18.230 -10.175 -4.632 1.00 0.00 C ATOM 42 OG SER A 5 -19.241 -9.188 -4.739 1.00 0.00 O ATOM 0 H SER A 5 -18.579 -10.023 -2.156 1.00 0.00 H new ATOM 0 HA SER A 5 -16.389 -10.531 -3.578 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.791 -10.358 -5.613 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.669 -11.115 -4.299 1.00 0.00 H new ATOM 0 HG SER A 5 -19.926 -9.489 -5.372 1.00 0.00 H new ATOM 48 N SER A 6 -17.070 -7.328 -3.887 1.00 0.00 N ATOM 49 CA SER A 6 -16.526 -6.047 -4.320 1.00 0.00 C ATOM 50 C SER A 6 -15.018 -5.993 -4.096 1.00 0.00 C ATOM 51 O SER A 6 -14.539 -6.174 -2.978 1.00 0.00 O ATOM 52 CB SER A 6 -17.206 -4.900 -3.569 1.00 0.00 C ATOM 53 OG SER A 6 -16.694 -4.778 -2.253 1.00 0.00 O ATOM 0 H SER A 6 -17.944 -7.260 -3.366 1.00 0.00 H new ATOM 0 HA SER A 6 -16.721 -5.940 -5.387 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.054 -3.966 -4.110 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.281 -5.074 -3.530 1.00 0.00 H new ATOM 0 HG SER A 6 -16.009 -5.463 -2.104 1.00 0.00 H new ATOM 59 N GLY A 7 -14.275 -5.743 -5.170 1.00 0.00 N ATOM 60 CA GLY A 7 -12.829 -5.670 -5.071 1.00 0.00 C ATOM 61 C GLY A 7 -12.346 -4.301 -4.633 1.00 0.00 C ATOM 62 O GLY A 7 -12.876 -3.723 -3.683 1.00 0.00 O ATOM 0 H GLY A 7 -14.649 -5.590 -6.107 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.478 -6.420 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.389 -5.915 -6.038 1.00 0.00 H new ATOM 66 N SER A 8 -11.337 -3.782 -5.324 1.00 0.00 N ATOM 67 CA SER A 8 -10.779 -2.475 -4.998 1.00 0.00 C ATOM 68 C SER A 8 -11.876 -1.509 -4.561 1.00 0.00 C ATOM 69 O SER A 8 -12.973 -1.505 -5.120 1.00 0.00 O ATOM 70 CB SER A 8 -10.029 -1.902 -6.202 1.00 0.00 C ATOM 71 OG SER A 8 -8.851 -2.643 -6.468 1.00 0.00 O ATOM 0 H SER A 8 -10.889 -4.247 -6.114 1.00 0.00 H new ATOM 0 HA SER A 8 -10.081 -2.602 -4.171 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.677 -1.916 -7.078 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.772 -0.860 -6.012 1.00 0.00 H new ATOM 0 HG SER A 8 -8.390 -2.258 -7.243 1.00 0.00 H new ATOM 77 N SER A 9 -11.572 -0.692 -3.558 1.00 0.00 N ATOM 78 CA SER A 9 -12.533 0.276 -3.042 1.00 0.00 C ATOM 79 C SER A 9 -11.831 1.561 -2.611 1.00 0.00 C ATOM 80 O SER A 9 -10.680 1.553 -2.174 1.00 0.00 O ATOM 81 CB SER A 9 -13.305 -0.318 -1.863 1.00 0.00 C ATOM 82 OG SER A 9 -13.973 -1.510 -2.239 1.00 0.00 O ATOM 0 H SER A 9 -10.668 -0.681 -3.086 1.00 0.00 H new ATOM 0 HA SER A 9 -13.234 0.516 -3.841 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.618 -0.526 -1.042 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.030 0.409 -1.496 1.00 0.00 H new ATOM 0 HG SER A 9 -14.458 -1.871 -1.467 1.00 0.00 H new ATOM 88 N PRO A 10 -12.541 2.692 -2.735 1.00 0.00 N ATOM 89 CA PRO A 10 -12.008 4.006 -2.364 1.00 0.00 C ATOM 90 C PRO A 10 -11.844 4.159 -0.855 1.00 0.00 C ATOM 91 O PRO A 10 -11.065 4.989 -0.387 1.00 0.00 O ATOM 92 CB PRO A 10 -13.067 4.979 -2.888 1.00 0.00 C ATOM 93 CG PRO A 10 -14.327 4.186 -2.924 1.00 0.00 C ATOM 94 CD PRO A 10 -13.919 2.775 -3.249 1.00 0.00 C ATOM 0 HA PRO A 10 -11.013 4.174 -2.777 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.164 5.847 -2.236 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.806 5.352 -3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.844 4.232 -1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -15.013 4.577 -3.676 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.572 2.047 -2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.961 2.581 -4.321 1.00 0.00 H new ATOM 102 N SER A 11 -12.584 3.354 -0.099 1.00 0.00 N ATOM 103 CA SER A 11 -12.523 3.403 1.357 1.00 0.00 C ATOM 104 C SER A 11 -11.082 3.277 1.844 1.00 0.00 C ATOM 105 O SER A 11 -10.606 4.099 2.628 1.00 0.00 O ATOM 106 CB SER A 11 -13.377 2.287 1.962 1.00 0.00 C ATOM 107 OG SER A 11 -14.751 2.634 1.950 1.00 0.00 O ATOM 0 H SER A 11 -13.233 2.660 -0.471 1.00 0.00 H new ATOM 0 HA SER A 11 -12.915 4.367 1.681 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.227 1.365 1.401 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.056 2.093 2.986 1.00 0.00 H new ATOM 0 HG SER A 11 -15.276 1.904 2.340 1.00 0.00 H new ATOM 113 N LEU A 12 -10.394 2.242 1.375 1.00 0.00 N ATOM 114 CA LEU A 12 -9.007 2.007 1.762 1.00 0.00 C ATOM 115 C LEU A 12 -8.107 3.139 1.278 1.00 0.00 C ATOM 116 O LEU A 12 -6.963 3.268 1.716 1.00 0.00 O ATOM 117 CB LEU A 12 -8.518 0.673 1.196 1.00 0.00 C ATOM 118 CG LEU A 12 -8.747 -0.555 2.078 1.00 0.00 C ATOM 119 CD1 LEU A 12 -7.855 -0.503 3.308 1.00 0.00 C ATOM 120 CD2 LEU A 12 -10.211 -0.655 2.483 1.00 0.00 C ATOM 0 H LEU A 12 -10.774 1.552 0.726 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.960 1.971 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.011 0.505 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.450 0.756 0.994 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.487 -1.444 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.032 -1.385 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.810 -0.480 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.082 0.393 3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.356 -1.535 3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.497 0.238 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.830 -0.740 1.590 1.00 0.00 H new ATOM 132 N LEU A 13 -8.631 3.959 0.373 1.00 0.00 N ATOM 133 CA LEU A 13 -7.876 5.083 -0.170 1.00 0.00 C ATOM 134 C LEU A 13 -8.227 6.377 0.557 1.00 0.00 C ATOM 135 O LEU A 13 -7.418 7.301 0.624 1.00 0.00 O ATOM 136 CB LEU A 13 -8.154 5.234 -1.666 1.00 0.00 C ATOM 137 CG LEU A 13 -7.556 4.156 -2.572 1.00 0.00 C ATOM 138 CD1 LEU A 13 -6.039 4.143 -2.456 1.00 0.00 C ATOM 139 CD2 LEU A 13 -8.130 2.790 -2.227 1.00 0.00 C ATOM 0 H LEU A 13 -9.576 3.866 -0.000 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.815 4.881 -0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.234 5.248 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.775 6.203 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.820 4.389 -3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.631 3.370 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.643 5.114 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.755 3.935 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.693 2.036 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.897 2.549 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.211 2.805 -2.362 1.00 0.00 H new ATOM 151 N GLU A 14 -9.438 6.434 1.102 1.00 0.00 N ATOM 152 CA GLU A 14 -9.895 7.614 1.826 1.00 0.00 C ATOM 153 C GLU A 14 -8.791 8.162 2.726 1.00 0.00 C ATOM 154 O GLU A 14 -8.368 9.311 2.603 1.00 0.00 O ATOM 155 CB GLU A 14 -11.132 7.280 2.662 1.00 0.00 C ATOM 156 CG GLU A 14 -12.444 7.569 1.952 1.00 0.00 C ATOM 157 CD GLU A 14 -13.616 7.668 2.908 1.00 0.00 C ATOM 158 OE1 GLU A 14 -13.911 6.664 3.590 1.00 0.00 O ATOM 159 OE2 GLU A 14 -14.238 8.748 2.975 1.00 0.00 O ATOM 0 H GLU A 14 -10.120 5.677 1.056 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.156 8.379 1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.101 6.225 2.935 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.098 7.851 3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.354 8.502 1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.640 6.782 1.224 1.00 0.00 H new ATOM 166 N PRO A 15 -8.313 7.319 3.654 1.00 0.00 N ATOM 167 CA PRO A 15 -7.252 7.696 4.593 1.00 0.00 C ATOM 168 C PRO A 15 -5.901 7.861 3.906 1.00 0.00 C ATOM 169 O PRO A 15 -5.137 8.772 4.229 1.00 0.00 O ATOM 170 CB PRO A 15 -7.213 6.521 5.573 1.00 0.00 C ATOM 171 CG PRO A 15 -7.748 5.365 4.800 1.00 0.00 C ATOM 172 CD PRO A 15 -8.770 5.935 3.857 1.00 0.00 C ATOM 0 HA PRO A 15 -7.449 8.658 5.066 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.198 6.329 5.921 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.820 6.722 6.456 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.952 4.859 4.253 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.198 4.627 5.464 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.804 5.381 2.919 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.773 5.901 4.283 1.00 0.00 H new ATOM 180 N LEU A 16 -5.613 6.977 2.957 1.00 0.00 N ATOM 181 CA LEU A 16 -4.353 7.026 2.224 1.00 0.00 C ATOM 182 C LEU A 16 -4.339 8.194 1.243 1.00 0.00 C ATOM 183 O LEU A 16 -3.289 8.561 0.713 1.00 0.00 O ATOM 184 CB LEU A 16 -4.127 5.713 1.472 1.00 0.00 C ATOM 185 CG LEU A 16 -3.982 4.461 2.338 1.00 0.00 C ATOM 186 CD1 LEU A 16 -3.739 3.236 1.470 1.00 0.00 C ATOM 187 CD2 LEU A 16 -2.853 4.636 3.344 1.00 0.00 C ATOM 0 H LEU A 16 -6.235 6.218 2.677 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.548 7.170 2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.961 5.562 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.229 5.816 0.863 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.912 4.313 2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.638 2.355 2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.580 3.099 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.824 3.374 0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.764 3.735 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.917 4.810 2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.068 5.489 3.988 1.00 0.00 H new ATOM 199 N LEU A 17 -5.509 8.777 1.008 1.00 0.00 N ATOM 200 CA LEU A 17 -5.631 9.907 0.093 1.00 0.00 C ATOM 201 C LEU A 17 -5.607 11.229 0.854 1.00 0.00 C ATOM 202 O LEU A 17 -4.898 12.161 0.476 1.00 0.00 O ATOM 203 CB LEU A 17 -6.925 9.795 -0.716 1.00 0.00 C ATOM 204 CG LEU A 17 -6.941 8.728 -1.811 1.00 0.00 C ATOM 205 CD1 LEU A 17 -8.338 8.583 -2.395 1.00 0.00 C ATOM 206 CD2 LEU A 17 -5.937 9.069 -2.903 1.00 0.00 C ATOM 0 H LEU A 17 -6.387 8.486 1.438 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.780 9.885 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.745 9.592 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.127 10.762 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.655 7.775 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.330 7.819 -3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.033 8.292 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.654 9.534 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.962 8.299 -3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.193 10.032 -3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.936 9.120 -2.474 1.00 0.00 H new ATOM 218 N ALA A 18 -6.384 11.301 1.930 1.00 0.00 N ATOM 219 CA ALA A 18 -6.448 12.507 2.746 1.00 0.00 C ATOM 220 C ALA A 18 -5.097 12.809 3.386 1.00 0.00 C ATOM 221 O ALA A 18 -4.824 13.945 3.773 1.00 0.00 O ATOM 222 CB ALA A 18 -7.521 12.364 3.815 1.00 0.00 C ATOM 0 H ALA A 18 -6.978 10.539 2.257 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.707 13.343 2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.558 13.272 4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.489 12.204 3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.286 11.513 4.455 1.00 0.00 H new ATOM 228 N MET A 19 -4.257 11.785 3.495 1.00 0.00 N ATOM 229 CA MET A 19 -2.934 11.942 4.088 1.00 0.00 C ATOM 230 C MET A 19 -1.993 12.668 3.133 1.00 0.00 C ATOM 231 O MET A 19 -1.028 13.301 3.559 1.00 0.00 O ATOM 232 CB MET A 19 -2.352 10.576 4.457 1.00 0.00 C ATOM 233 CG MET A 19 -3.042 9.922 5.644 1.00 0.00 C ATOM 234 SD MET A 19 -2.277 10.357 7.218 1.00 0.00 S ATOM 235 CE MET A 19 -1.850 8.735 7.846 1.00 0.00 C ATOM 0 H MET A 19 -4.469 10.838 3.181 1.00 0.00 H new ATOM 0 HA MET A 19 -3.037 12.541 4.993 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.426 9.914 3.594 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.292 10.691 4.681 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.090 10.220 5.659 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.020 8.839 5.521 1.00 0.00 H new ATOM 0 HE1 MET A 19 -2.330 8.581 8.813 1.00 0.00 H new ATOM 0 HE2 MET A 19 -2.192 7.972 7.146 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.769 8.663 7.962 1.00 0.00 H new ATOM 245 N GLY A 20 -2.280 12.571 1.838 1.00 0.00 N ATOM 246 CA GLY A 20 -1.449 13.224 0.843 1.00 0.00 C ATOM 247 C GLY A 20 -1.004 12.275 -0.252 1.00 0.00 C ATOM 248 O GLY A 20 -0.728 12.697 -1.375 1.00 0.00 O ATOM 0 H GLY A 20 -3.073 12.052 1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.001 14.052 0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.572 13.650 1.329 1.00 0.00 H new ATOM 252 N PHE A 21 -0.932 10.989 0.075 1.00 0.00 N ATOM 253 CA PHE A 21 -0.514 9.978 -0.889 1.00 0.00 C ATOM 254 C PHE A 21 -1.563 9.802 -1.983 1.00 0.00 C ATOM 255 O PHE A 21 -2.767 9.792 -1.728 1.00 0.00 O ATOM 256 CB PHE A 21 -0.267 8.642 -0.185 1.00 0.00 C ATOM 257 CG PHE A 21 0.443 8.781 1.132 1.00 0.00 C ATOM 258 CD1 PHE A 21 1.816 8.957 1.178 1.00 0.00 C ATOM 259 CD2 PHE A 21 -0.263 8.735 2.323 1.00 0.00 C ATOM 260 CE1 PHE A 21 2.472 9.084 2.388 1.00 0.00 C ATOM 261 CE2 PHE A 21 0.387 8.862 3.536 1.00 0.00 C ATOM 262 CZ PHE A 21 1.756 9.038 3.568 1.00 0.00 C ATOM 0 H PHE A 21 -1.158 10.622 1.000 1.00 0.00 H new ATOM 0 HA PHE A 21 0.414 10.315 -1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.223 8.144 -0.023 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.321 7.999 -0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.380 8.995 0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.334 8.598 2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.543 9.219 2.411 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.175 8.824 4.457 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.266 9.140 4.514 1.00 0.00 H new ATOM 272 N PRO A 22 -1.096 9.661 -3.233 1.00 0.00 N ATOM 273 CA PRO A 22 -1.977 9.484 -4.391 1.00 0.00 C ATOM 274 C PRO A 22 -2.668 8.125 -4.391 1.00 0.00 C ATOM 275 O PRO A 22 -2.709 7.438 -3.371 1.00 0.00 O ATOM 276 CB PRO A 22 -1.023 9.599 -5.583 1.00 0.00 C ATOM 277 CG PRO A 22 0.308 9.203 -5.042 1.00 0.00 C ATOM 278 CD PRO A 22 0.327 9.664 -3.611 1.00 0.00 C ATOM 0 HA PRO A 22 -2.786 10.214 -4.403 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.329 8.945 -6.400 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.004 10.615 -5.978 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.450 8.124 -5.106 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.114 9.665 -5.612 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.912 8.994 -2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.766 10.657 -3.514 1.00 0.00 H new ATOM 286 N VAL A 23 -3.210 7.742 -5.543 1.00 0.00 N ATOM 287 CA VAL A 23 -3.899 6.463 -5.676 1.00 0.00 C ATOM 288 C VAL A 23 -2.920 5.344 -6.014 1.00 0.00 C ATOM 289 O VAL A 23 -2.811 4.358 -5.284 1.00 0.00 O ATOM 290 CB VAL A 23 -4.988 6.523 -6.764 1.00 0.00 C ATOM 291 CG1 VAL A 23 -5.405 5.120 -7.179 1.00 0.00 C ATOM 292 CG2 VAL A 23 -6.186 7.322 -6.274 1.00 0.00 C ATOM 0 H VAL A 23 -3.185 8.299 -6.397 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.367 6.254 -4.714 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.577 7.028 -7.639 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.175 5.182 -7.948 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.541 4.585 -7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.799 4.587 -6.314 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.946 7.354 -7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.600 6.848 -5.384 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.872 8.337 -6.031 1.00 0.00 H new ATOM 302 N HIS A 24 -2.207 5.504 -7.124 1.00 0.00 N ATOM 303 CA HIS A 24 -1.235 4.507 -7.559 1.00 0.00 C ATOM 304 C HIS A 24 -0.322 4.101 -6.406 1.00 0.00 C ATOM 305 O HIS A 24 0.115 2.952 -6.321 1.00 0.00 O ATOM 306 CB HIS A 24 -0.400 5.050 -8.719 1.00 0.00 C ATOM 307 CG HIS A 24 -0.234 6.538 -8.693 1.00 0.00 C ATOM 308 ND1 HIS A 24 -0.595 7.354 -9.743 1.00 0.00 N ATOM 309 CD2 HIS A 24 0.257 7.357 -7.734 1.00 0.00 C ATOM 310 CE1 HIS A 24 -0.332 8.611 -9.432 1.00 0.00 C ATOM 311 NE2 HIS A 24 0.185 8.640 -8.218 1.00 0.00 N ATOM 0 H HIS A 24 -2.284 6.314 -7.739 1.00 0.00 H new ATOM 0 HA HIS A 24 -1.781 3.626 -7.896 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.584 4.583 -8.697 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.869 4.761 -9.660 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -1.002 7.037 -10.623 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.635 7.057 -6.768 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.510 9.469 -10.064 1.00 0.00 H new ATOM 320 N THR A 25 -0.036 5.050 -5.520 1.00 0.00 N ATOM 321 CA THR A 25 0.826 4.792 -4.374 1.00 0.00 C ATOM 322 C THR A 25 0.077 4.037 -3.282 1.00 0.00 C ATOM 323 O THR A 25 0.474 2.940 -2.889 1.00 0.00 O ATOM 324 CB THR A 25 1.387 6.100 -3.787 1.00 0.00 C ATOM 325 OG1 THR A 25 2.315 6.691 -4.704 1.00 0.00 O ATOM 326 CG2 THR A 25 2.076 5.844 -2.455 1.00 0.00 C ATOM 0 H THR A 25 -0.389 6.005 -5.575 1.00 0.00 H new ATOM 0 HA THR A 25 1.654 4.180 -4.732 1.00 0.00 H new ATOM 0 HB THR A 25 0.555 6.784 -3.622 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.666 7.523 -4.324 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.464 6.783 -2.060 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.360 5.422 -1.750 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.898 5.143 -2.600 1.00 0.00 H new ATOM 334 N ALA A 26 -1.007 4.631 -2.796 1.00 0.00 N ATOM 335 CA ALA A 26 -1.813 4.013 -1.750 1.00 0.00 C ATOM 336 C ALA A 26 -2.149 2.567 -2.098 1.00 0.00 C ATOM 337 O ALA A 26 -2.232 1.709 -1.218 1.00 0.00 O ATOM 338 CB ALA A 26 -3.087 4.814 -1.524 1.00 0.00 C ATOM 0 H ALA A 26 -1.348 5.540 -3.110 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.230 4.011 -0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.680 4.342 -0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.830 5.829 -1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.666 4.846 -2.447 1.00 0.00 H new ATOM 344 N LEU A 27 -2.342 2.303 -3.386 1.00 0.00 N ATOM 345 CA LEU A 27 -2.670 0.960 -3.851 1.00 0.00 C ATOM 346 C LEU A 27 -1.490 0.013 -3.656 1.00 0.00 C ATOM 347 O LEU A 27 -1.662 -1.135 -3.248 1.00 0.00 O ATOM 348 CB LEU A 27 -3.073 0.994 -5.326 1.00 0.00 C ATOM 349 CG LEU A 27 -4.333 1.794 -5.659 1.00 0.00 C ATOM 350 CD1 LEU A 27 -4.255 2.349 -7.073 1.00 0.00 C ATOM 351 CD2 LEU A 27 -5.574 0.929 -5.492 1.00 0.00 C ATOM 0 H LEU A 27 -2.277 3.001 -4.127 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.509 0.592 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.243 1.406 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.217 -0.031 -5.666 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.402 2.632 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.160 2.915 -7.292 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.388 3.004 -7.160 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.161 1.526 -7.782 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.461 1.515 -5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.512 0.071 -6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.639 0.581 -4.461 1.00 0.00 H new ATOM 363 N LYS A 28 -0.290 0.504 -3.949 1.00 0.00 N ATOM 364 CA LYS A 28 0.920 -0.296 -3.803 1.00 0.00 C ATOM 365 C LYS A 28 1.092 -0.766 -2.362 1.00 0.00 C ATOM 366 O LYS A 28 1.310 -1.950 -2.107 1.00 0.00 O ATOM 367 CB LYS A 28 2.145 0.511 -4.237 1.00 0.00 C ATOM 368 CG LYS A 28 2.489 0.352 -5.708 1.00 0.00 C ATOM 369 CD LYS A 28 3.668 1.226 -6.103 1.00 0.00 C ATOM 370 CE LYS A 28 3.212 2.599 -6.573 1.00 0.00 C ATOM 371 NZ LYS A 28 2.962 2.628 -8.040 1.00 0.00 N ATOM 0 H LYS A 28 -0.130 1.452 -4.289 1.00 0.00 H new ATOM 0 HA LYS A 28 0.825 -1.173 -4.443 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.968 1.566 -4.026 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.002 0.205 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.723 -0.692 -5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.622 0.612 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.341 1.336 -5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.234 0.738 -6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.301 2.880 -6.044 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.970 3.340 -6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.653 3.581 -8.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.837 2.385 -8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.221 1.939 -8.280 1.00 0.00 H new ATOM 385 N ALA A 29 0.991 0.170 -1.424 1.00 0.00 N ATOM 386 CA ALA A 29 1.132 -0.150 -0.009 1.00 0.00 C ATOM 387 C ALA A 29 -0.020 -1.024 0.474 1.00 0.00 C ATOM 388 O ALA A 29 0.176 -1.946 1.267 1.00 0.00 O ATOM 389 CB ALA A 29 1.209 1.127 0.815 1.00 0.00 C ATOM 0 H ALA A 29 0.812 1.155 -1.618 1.00 0.00 H new ATOM 0 HA ALA A 29 2.058 -0.711 0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.314 0.874 1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.070 1.715 0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.299 1.709 0.671 1.00 0.00 H new ATOM 395 N LEU A 30 -1.223 -0.730 -0.008 1.00 0.00 N ATOM 396 CA LEU A 30 -2.408 -1.490 0.375 1.00 0.00 C ATOM 397 C LEU A 30 -2.219 -2.975 0.085 1.00 0.00 C ATOM 398 O LEU A 30 -2.221 -3.801 0.997 1.00 0.00 O ATOM 399 CB LEU A 30 -3.637 -0.965 -0.370 1.00 0.00 C ATOM 400 CG LEU A 30 -4.355 0.222 0.273 1.00 0.00 C ATOM 401 CD1 LEU A 30 -5.522 0.671 -0.592 1.00 0.00 C ATOM 402 CD2 LEU A 30 -4.833 -0.139 1.672 1.00 0.00 C ATOM 0 H LEU A 30 -1.403 0.029 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.560 -1.365 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.332 -0.678 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.350 -1.782 -0.474 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.650 1.049 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.021 1.517 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.154 0.970 -1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.229 -0.151 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.342 0.717 2.115 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.523 -0.981 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.977 -0.412 2.290 1.00 0.00 H new ATOM 414 N ALA A 31 -2.055 -3.308 -1.192 1.00 0.00 N ATOM 415 CA ALA A 31 -1.861 -4.693 -1.601 1.00 0.00 C ATOM 416 C ALA A 31 -0.651 -5.307 -0.905 1.00 0.00 C ATOM 417 O ALA A 31 -0.655 -6.488 -0.561 1.00 0.00 O ATOM 418 CB ALA A 31 -1.703 -4.779 -3.112 1.00 0.00 C ATOM 0 H ALA A 31 -2.053 -2.637 -1.960 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.743 -5.260 -1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.559 -5.819 -3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.599 -4.387 -3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.838 -4.192 -3.421 1.00 0.00 H new ATOM 424 N ALA A 32 0.383 -4.497 -0.701 1.00 0.00 N ATOM 425 CA ALA A 32 1.599 -4.961 -0.045 1.00 0.00 C ATOM 426 C ALA A 32 1.297 -5.508 1.346 1.00 0.00 C ATOM 427 O ALA A 32 1.732 -6.603 1.703 1.00 0.00 O ATOM 428 CB ALA A 32 2.617 -3.833 0.038 1.00 0.00 C ATOM 0 H ALA A 32 0.403 -3.516 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 32 2.019 -5.771 -0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.520 -4.194 0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.863 -3.491 -0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.198 -3.006 0.610 1.00 0.00 H new ATOM 434 N THR A 33 0.549 -4.738 2.131 1.00 0.00 N ATOM 435 CA THR A 33 0.191 -5.144 3.484 1.00 0.00 C ATOM 436 C THR A 33 -0.916 -6.191 3.468 1.00 0.00 C ATOM 437 O THR A 33 -0.953 -7.082 4.316 1.00 0.00 O ATOM 438 CB THR A 33 -0.267 -3.940 4.329 1.00 0.00 C ATOM 439 OG1 THR A 33 -1.463 -3.380 3.775 1.00 0.00 O ATOM 440 CG2 THR A 33 0.817 -2.875 4.388 1.00 0.00 C ATOM 0 H THR A 33 0.179 -3.829 1.852 1.00 0.00 H new ATOM 0 HA THR A 33 1.086 -5.573 3.933 1.00 0.00 H new ATOM 0 HB THR A 33 -0.465 -4.290 5.342 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.513 -3.594 2.820 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.470 -2.035 4.990 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.717 -3.296 4.837 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.043 -2.529 3.379 1.00 0.00 H new ATOM 448 N GLY A 34 -1.818 -6.078 2.498 1.00 0.00 N ATOM 449 CA GLY A 34 -2.915 -7.023 2.391 1.00 0.00 C ATOM 450 C GLY A 34 -4.256 -6.393 2.712 1.00 0.00 C ATOM 451 O GLY A 34 -5.091 -7.003 3.379 1.00 0.00 O ATOM 0 H GLY A 34 -1.809 -5.349 1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.941 -7.431 1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.738 -7.859 3.068 1.00 0.00 H new ATOM 455 N ARG A 35 -4.462 -5.169 2.237 1.00 0.00 N ATOM 456 CA ARG A 35 -5.710 -4.456 2.480 1.00 0.00 C ATOM 457 C ARG A 35 -6.248 -4.760 3.875 1.00 0.00 C ATOM 458 O ARG A 35 -7.442 -5.002 4.053 1.00 0.00 O ATOM 459 CB ARG A 35 -6.752 -4.835 1.426 1.00 0.00 C ATOM 460 CG ARG A 35 -6.400 -4.364 0.025 1.00 0.00 C ATOM 461 CD ARG A 35 -5.103 -4.990 -0.464 1.00 0.00 C ATOM 462 NE ARG A 35 -5.043 -5.054 -1.922 1.00 0.00 N ATOM 463 CZ ARG A 35 -5.841 -5.820 -2.658 1.00 0.00 C ATOM 464 NH1 ARG A 35 -6.757 -6.580 -2.075 1.00 0.00 N ATOM 465 NH2 ARG A 35 -5.725 -5.824 -3.979 1.00 0.00 N ATOM 0 H ARG A 35 -3.781 -4.651 1.682 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.507 -3.387 2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.870 -5.919 1.417 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.715 -4.412 1.711 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.209 -4.619 -0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.306 -3.278 0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.258 -4.411 -0.091 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.008 -5.995 -0.053 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.350 -4.479 -2.402 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.850 -6.578 -1.059 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.369 -7.167 -2.642 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.023 -5.239 -4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.338 -6.412 -4.543 1.00 0.00 H new ATOM 479 N LYS A 36 -5.358 -4.748 4.862 1.00 0.00 N ATOM 480 CA LYS A 36 -5.742 -5.021 6.242 1.00 0.00 C ATOM 481 C LYS A 36 -6.306 -3.771 6.909 1.00 0.00 C ATOM 482 O LYS A 36 -7.460 -3.749 7.336 1.00 0.00 O ATOM 483 CB LYS A 36 -4.538 -5.536 7.035 1.00 0.00 C ATOM 484 CG LYS A 36 -3.985 -6.852 6.515 1.00 0.00 C ATOM 485 CD LYS A 36 -4.733 -8.040 7.098 1.00 0.00 C ATOM 486 CE LYS A 36 -4.357 -8.276 8.552 1.00 0.00 C ATOM 487 NZ LYS A 36 -2.920 -8.636 8.703 1.00 0.00 N ATOM 0 H LYS A 36 -4.366 -4.552 4.732 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.518 -5.786 6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.749 -4.785 7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.827 -5.660 8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.057 -6.874 5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.927 -6.928 6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.807 -7.868 7.022 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.511 -8.933 6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.569 -7.378 9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.976 -9.074 8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.778 -9.124 9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.636 -9.263 7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.341 -7.772 8.680 1.00 0.00 H new ATOM 501 N THR A 37 -5.484 -2.729 6.993 1.00 0.00 N ATOM 502 CA THR A 37 -5.901 -1.474 7.606 1.00 0.00 C ATOM 503 C THR A 37 -5.109 -0.298 7.046 1.00 0.00 C ATOM 504 O THR A 37 -3.894 -0.381 6.875 1.00 0.00 O ATOM 505 CB THR A 37 -5.728 -1.512 9.136 1.00 0.00 C ATOM 506 OG1 THR A 37 -5.744 -0.182 9.665 1.00 0.00 O ATOM 507 CG2 THR A 37 -4.424 -2.198 9.516 1.00 0.00 C ATOM 0 H THR A 37 -4.526 -2.730 6.644 1.00 0.00 H new ATOM 0 HA THR A 37 -6.957 -1.343 7.370 1.00 0.00 H new ATOM 0 HB THR A 37 -6.557 -2.080 9.559 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.635 -0.216 10.638 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.324 -2.213 10.601 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.427 -3.220 9.138 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.586 -1.653 9.082 1.00 0.00 H new ATOM 515 N ALA A 38 -5.807 0.797 6.762 1.00 0.00 N ATOM 516 CA ALA A 38 -5.168 1.991 6.223 1.00 0.00 C ATOM 517 C ALA A 38 -3.791 2.203 6.842 1.00 0.00 C ATOM 518 O ALA A 38 -2.823 2.494 6.139 1.00 0.00 O ATOM 519 CB ALA A 38 -6.047 3.211 6.456 1.00 0.00 C ATOM 0 H ALA A 38 -6.815 0.882 6.896 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.038 1.850 5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.557 4.095 6.048 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.007 3.067 5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.207 3.345 7.526 1.00 0.00 H new ATOM 525 N GLU A 39 -3.710 2.057 8.161 1.00 0.00 N ATOM 526 CA GLU A 39 -2.450 2.235 8.873 1.00 0.00 C ATOM 527 C GLU A 39 -1.349 1.382 8.251 1.00 0.00 C ATOM 528 O GLU A 39 -0.293 1.891 7.877 1.00 0.00 O ATOM 529 CB GLU A 39 -2.619 1.873 10.350 1.00 0.00 C ATOM 530 CG GLU A 39 -1.302 1.661 11.078 1.00 0.00 C ATOM 531 CD GLU A 39 -1.442 1.778 12.583 1.00 0.00 C ATOM 532 OE1 GLU A 39 -2.363 2.489 13.039 1.00 0.00 O ATOM 533 OE2 GLU A 39 -0.633 1.160 13.306 1.00 0.00 O ATOM 0 H GLU A 39 -4.501 1.816 8.758 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.161 3.283 8.794 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.177 2.666 10.848 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.218 0.965 10.427 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.908 0.676 10.829 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.575 2.393 10.726 1.00 0.00 H new ATOM 540 N GLU A 40 -1.604 0.082 8.144 1.00 0.00 N ATOM 541 CA GLU A 40 -0.634 -0.842 7.569 1.00 0.00 C ATOM 542 C GLU A 40 0.056 -0.222 6.357 1.00 0.00 C ATOM 543 O GLU A 40 1.274 -0.312 6.210 1.00 0.00 O ATOM 544 CB GLU A 40 -1.318 -2.150 7.166 1.00 0.00 C ATOM 545 CG GLU A 40 -1.332 -3.195 8.270 1.00 0.00 C ATOM 546 CD GLU A 40 -0.116 -4.100 8.231 1.00 0.00 C ATOM 547 OE1 GLU A 40 0.989 -3.626 8.570 1.00 0.00 O ATOM 548 OE2 GLU A 40 -0.270 -5.284 7.863 1.00 0.00 O ATOM 0 H GLU A 40 -2.474 -0.355 8.448 1.00 0.00 H new ATOM 0 HA GLU A 40 0.121 -1.054 8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.344 -1.936 6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.810 -2.562 6.294 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.378 -2.695 9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.234 -3.800 8.181 1.00 0.00 H new ATOM 555 N ALA A 41 -0.733 0.407 5.493 1.00 0.00 N ATOM 556 CA ALA A 41 -0.199 1.043 4.295 1.00 0.00 C ATOM 557 C ALA A 41 0.868 2.074 4.649 1.00 0.00 C ATOM 558 O ALA A 41 1.903 2.163 3.988 1.00 0.00 O ATOM 559 CB ALA A 41 -1.321 1.695 3.499 1.00 0.00 C ATOM 0 H ALA A 41 -1.744 0.490 5.600 1.00 0.00 H new ATOM 0 HA ALA A 41 0.267 0.272 3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.908 2.166 2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.047 0.937 3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.812 2.449 4.113 1.00 0.00 H new ATOM 565 N LEU A 42 0.609 2.851 5.695 1.00 0.00 N ATOM 566 CA LEU A 42 1.547 3.876 6.137 1.00 0.00 C ATOM 567 C LEU A 42 2.876 3.255 6.554 1.00 0.00 C ATOM 568 O LEU A 42 3.942 3.813 6.295 1.00 0.00 O ATOM 569 CB LEU A 42 0.954 4.669 7.304 1.00 0.00 C ATOM 570 CG LEU A 42 0.134 5.904 6.928 1.00 0.00 C ATOM 571 CD1 LEU A 42 1.047 7.031 6.470 1.00 0.00 C ATOM 572 CD2 LEU A 42 -0.878 5.562 5.845 1.00 0.00 C ATOM 0 H LEU A 42 -0.243 2.790 6.253 1.00 0.00 H new ATOM 0 HA LEU A 42 1.729 4.551 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.320 4.000 7.887 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.770 4.983 7.955 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.409 6.240 7.812 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.446 7.902 6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.733 7.294 7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.617 6.707 5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.453 6.452 5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.355 5.201 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.552 4.787 6.209 1.00 0.00 H new ATOM 584 N ALA A 43 2.805 2.094 7.198 1.00 0.00 N ATOM 585 CA ALA A 43 4.003 1.395 7.646 1.00 0.00 C ATOM 586 C ALA A 43 4.812 0.877 6.462 1.00 0.00 C ATOM 587 O ALA A 43 6.032 0.735 6.547 1.00 0.00 O ATOM 588 CB ALA A 43 3.628 0.248 8.574 1.00 0.00 C ATOM 0 H ALA A 43 1.931 1.618 7.421 1.00 0.00 H new ATOM 0 HA ALA A 43 4.624 2.104 8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.532 -0.266 8.901 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.099 0.641 9.442 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.984 -0.453 8.044 1.00 0.00 H new ATOM 594 N TRP A 44 4.125 0.597 5.360 1.00 0.00 N ATOM 595 CA TRP A 44 4.781 0.094 4.158 1.00 0.00 C ATOM 596 C TRP A 44 5.333 1.241 3.319 1.00 0.00 C ATOM 597 O TRP A 44 6.331 1.084 2.615 1.00 0.00 O ATOM 598 CB TRP A 44 3.802 -0.737 3.328 1.00 0.00 C ATOM 599 CG TRP A 44 4.385 -1.226 2.036 1.00 0.00 C ATOM 600 CD1 TRP A 44 4.852 -2.481 1.771 1.00 0.00 C ATOM 601 CD2 TRP A 44 4.563 -0.467 0.835 1.00 0.00 C ATOM 602 NE1 TRP A 44 5.311 -2.549 0.477 1.00 0.00 N ATOM 603 CE2 TRP A 44 5.143 -1.327 -0.118 1.00 0.00 C ATOM 604 CE3 TRP A 44 4.286 0.853 0.472 1.00 0.00 C ATOM 605 CZ2 TRP A 44 5.452 -0.906 -1.409 1.00 0.00 C ATOM 606 CZ3 TRP A 44 4.594 1.270 -0.810 1.00 0.00 C ATOM 607 CH2 TRP A 44 5.171 0.392 -1.738 1.00 0.00 C ATOM 0 H TRP A 44 3.115 0.710 5.274 1.00 0.00 H new ATOM 0 HA TRP A 44 5.613 -0.539 4.466 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.473 -1.593 3.917 1.00 0.00 H new ATOM 0 HB3 TRP A 44 2.917 -0.137 3.115 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.860 -3.300 2.475 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.711 -3.375 0.032 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.839 1.536 1.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.898 -1.580 -2.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.387 2.289 -1.101 1.00 0.00 H new ATOM 0 HH2 TRP A 44 5.398 0.747 -2.732 1.00 0.00 H new ATOM 618 N LEU A 45 4.678 2.394 3.397 1.00 0.00 N ATOM 619 CA LEU A 45 5.103 3.569 2.644 1.00 0.00 C ATOM 620 C LEU A 45 6.313 4.227 3.300 1.00 0.00 C ATOM 621 O LEU A 45 7.215 4.712 2.617 1.00 0.00 O ATOM 622 CB LEU A 45 3.956 4.574 2.537 1.00 0.00 C ATOM 623 CG LEU A 45 2.799 4.178 1.620 1.00 0.00 C ATOM 624 CD1 LEU A 45 1.607 5.097 1.836 1.00 0.00 C ATOM 625 CD2 LEU A 45 3.239 4.206 0.163 1.00 0.00 C ATOM 0 H LEU A 45 3.850 2.541 3.974 1.00 0.00 H new ATOM 0 HA LEU A 45 5.387 3.245 1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.558 4.748 3.537 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.363 5.523 2.186 1.00 0.00 H new ATOM 0 HG LEU A 45 2.497 3.161 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.793 4.799 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.276 5.026 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.896 6.125 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.402 3.921 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.569 5.211 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.061 3.505 0.018 1.00 0.00 H new ATOM 637 N HIS A 46 6.325 4.240 4.629 1.00 0.00 N ATOM 638 CA HIS A 46 7.425 4.837 5.378 1.00 0.00 C ATOM 639 C HIS A 46 8.714 4.046 5.173 1.00 0.00 C ATOM 640 O HIS A 46 9.809 4.609 5.196 1.00 0.00 O ATOM 641 CB HIS A 46 7.082 4.898 6.867 1.00 0.00 C ATOM 642 CG HIS A 46 6.360 6.148 7.264 1.00 0.00 C ATOM 643 ND1 HIS A 46 6.994 7.361 7.438 1.00 0.00 N ATOM 644 CD2 HIS A 46 5.050 6.371 7.520 1.00 0.00 C ATOM 645 CE1 HIS A 46 6.105 8.274 7.786 1.00 0.00 C ATOM 646 NE2 HIS A 46 4.917 7.699 7.842 1.00 0.00 N ATOM 0 H HIS A 46 5.586 3.844 5.209 1.00 0.00 H new ATOM 0 HA HIS A 46 7.578 5.850 5.006 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.468 4.036 7.126 1.00 0.00 H new ATOM 0 HB3 HIS A 46 8.002 4.820 7.447 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.256 5.640 7.479 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.314 9.314 7.990 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.043 8.166 8.085 1.00 0.00 H new ATOM 655 N ASP A 47 8.576 2.740 4.972 1.00 0.00 N ATOM 656 CA ASP A 47 9.729 1.873 4.762 1.00 0.00 C ATOM 657 C ASP A 47 10.144 1.866 3.294 1.00 0.00 C ATOM 658 O ASP A 47 11.327 1.752 2.974 1.00 0.00 O ATOM 659 CB ASP A 47 9.413 0.449 5.222 1.00 0.00 C ATOM 660 CG ASP A 47 10.643 -0.287 5.715 1.00 0.00 C ATOM 661 OD1 ASP A 47 11.554 0.376 6.254 1.00 0.00 O ATOM 662 OD2 ASP A 47 10.696 -1.526 5.562 1.00 0.00 O ATOM 0 H ASP A 47 7.677 2.259 4.950 1.00 0.00 H new ATOM 0 HA ASP A 47 10.558 2.262 5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.671 0.484 6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.968 -0.106 4.396 1.00 0.00 H new ATOM 667 N HIS A 48 9.162 1.988 2.406 1.00 0.00 N ATOM 668 CA HIS A 48 9.426 1.995 0.972 1.00 0.00 C ATOM 669 C HIS A 48 9.840 3.387 0.503 1.00 0.00 C ATOM 670 O HIS A 48 10.936 3.573 -0.028 1.00 0.00 O ATOM 671 CB HIS A 48 8.188 1.533 0.202 1.00 0.00 C ATOM 672 CG HIS A 48 8.068 0.043 0.102 1.00 0.00 C ATOM 673 ND1 HIS A 48 8.169 -0.641 -1.091 1.00 0.00 N ATOM 674 CD2 HIS A 48 7.855 -0.894 1.054 1.00 0.00 C ATOM 675 CE1 HIS A 48 8.022 -1.935 -0.868 1.00 0.00 C ATOM 676 NE2 HIS A 48 7.831 -2.115 0.426 1.00 0.00 N ATOM 0 H HIS A 48 8.177 2.083 2.654 1.00 0.00 H new ATOM 0 HA HIS A 48 10.246 1.305 0.775 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.298 1.929 0.690 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.216 1.956 -0.802 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.728 -0.715 2.111 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.053 -2.713 -1.617 1.00 0.00 H new ATOM 0 HE2 HIS A 48 7.689 -3.015 0.885 1.00 0.00 H new ATOM 685 N CYS A 49 8.958 4.360 0.702 1.00 0.00 N ATOM 686 CA CYS A 49 9.232 5.734 0.298 1.00 0.00 C ATOM 687 C CYS A 49 10.711 6.065 0.463 1.00 0.00 C ATOM 688 O CYS A 49 11.304 6.740 -0.377 1.00 0.00 O ATOM 689 CB CYS A 49 8.384 6.708 1.118 1.00 0.00 C ATOM 690 SG CYS A 49 8.516 8.431 0.587 1.00 0.00 S ATOM 0 H CYS A 49 8.047 4.223 1.141 1.00 0.00 H new ATOM 0 HA CYS A 49 8.971 5.835 -0.756 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.340 6.401 1.061 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.680 6.638 2.165 1.00 0.00 H new ATOM 0 HG CYS A 49 7.762 9.176 1.339 1.00 0.00 H new ATOM 696 N ASN A 50 11.301 5.586 1.554 1.00 0.00 N ATOM 697 CA ASN A 50 12.711 5.833 1.831 1.00 0.00 C ATOM 698 C ASN A 50 13.534 5.791 0.547 1.00 0.00 C ATOM 699 O ASN A 50 14.307 6.706 0.262 1.00 0.00 O ATOM 700 CB ASN A 50 13.245 4.801 2.826 1.00 0.00 C ATOM 701 CG ASN A 50 14.567 5.220 3.441 1.00 0.00 C ATOM 702 OD1 ASN A 50 14.875 6.409 3.526 1.00 0.00 O ATOM 703 ND2 ASN A 50 15.354 4.243 3.873 1.00 0.00 N ATOM 0 H ASN A 50 10.824 5.025 2.260 1.00 0.00 H new ATOM 0 HA ASN A 50 12.801 6.828 2.266 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.511 4.650 3.618 1.00 0.00 H new ATOM 0 HB3 ASN A 50 13.370 3.844 2.320 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.255 4.464 4.296 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.058 3.271 3.782 1.00 0.00 H new ATOM 710 N ASP A 51 13.361 4.723 -0.225 1.00 0.00 N ATOM 711 CA ASP A 51 14.086 4.562 -1.480 1.00 0.00 C ATOM 712 C ASP A 51 14.060 5.852 -2.292 1.00 0.00 C ATOM 713 O ASP A 51 13.056 6.563 -2.343 1.00 0.00 O ATOM 714 CB ASP A 51 13.484 3.418 -2.297 1.00 0.00 C ATOM 715 CG ASP A 51 14.513 2.722 -3.166 1.00 0.00 C ATOM 716 OD1 ASP A 51 15.454 2.123 -2.606 1.00 0.00 O ATOM 717 OD2 ASP A 51 14.379 2.779 -4.406 1.00 0.00 O ATOM 0 H ASP A 51 12.725 3.957 -0.004 1.00 0.00 H new ATOM 0 HA ASP A 51 15.123 4.324 -1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.032 2.692 -1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.684 3.807 -2.927 1.00 0.00 H new ATOM 722 N PRO A 52 15.191 6.165 -2.942 1.00 0.00 N ATOM 723 CA PRO A 52 15.323 7.372 -3.764 1.00 0.00 C ATOM 724 C PRO A 52 14.493 7.298 -5.041 1.00 0.00 C ATOM 725 O PRO A 52 14.328 8.296 -5.743 1.00 0.00 O ATOM 726 CB PRO A 52 16.817 7.412 -4.098 1.00 0.00 C ATOM 727 CG PRO A 52 17.263 5.993 -4.007 1.00 0.00 C ATOM 728 CD PRO A 52 16.427 5.365 -2.926 1.00 0.00 C ATOM 0 HA PRO A 52 14.965 8.260 -3.244 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.989 7.818 -5.095 1.00 0.00 H new ATOM 0 HB3 PRO A 52 17.363 8.044 -3.398 1.00 0.00 H new ATOM 0 HG2 PRO A 52 17.123 5.478 -4.957 1.00 0.00 H new ATOM 0 HG3 PRO A 52 18.324 5.932 -3.765 1.00 0.00 H new ATOM 0 HD2 PRO A 52 16.228 4.313 -3.132 1.00 0.00 H new ATOM 0 HD3 PRO A 52 16.923 5.411 -1.957 1.00 0.00 H new ATOM 736 N SER A 53 13.974 6.111 -5.336 1.00 0.00 N ATOM 737 CA SER A 53 13.163 5.907 -6.531 1.00 0.00 C ATOM 738 C SER A 53 11.677 5.933 -6.190 1.00 0.00 C ATOM 739 O SER A 53 10.827 6.062 -7.073 1.00 0.00 O ATOM 740 CB SER A 53 13.523 4.576 -7.195 1.00 0.00 C ATOM 741 OG SER A 53 14.754 4.669 -7.890 1.00 0.00 O ATOM 0 H SER A 53 14.100 5.276 -4.764 1.00 0.00 H new ATOM 0 HA SER A 53 13.372 6.720 -7.226 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.587 3.794 -6.438 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.732 4.286 -7.887 1.00 0.00 H new ATOM 0 HG SER A 53 14.962 3.805 -8.304 1.00 0.00 H new ATOM 747 N LEU A 54 11.369 5.810 -4.903 1.00 0.00 N ATOM 748 CA LEU A 54 9.984 5.819 -4.444 1.00 0.00 C ATOM 749 C LEU A 54 9.640 7.149 -3.780 1.00 0.00 C ATOM 750 O LEU A 54 8.960 7.185 -2.755 1.00 0.00 O ATOM 751 CB LEU A 54 9.744 4.670 -3.463 1.00 0.00 C ATOM 752 CG LEU A 54 9.416 3.313 -4.087 1.00 0.00 C ATOM 753 CD1 LEU A 54 9.383 2.229 -3.021 1.00 0.00 C ATOM 754 CD2 LEU A 54 8.088 3.375 -4.828 1.00 0.00 C ATOM 0 H LEU A 54 12.059 5.703 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 54 9.338 5.689 -5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.633 4.557 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.926 4.950 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 54 10.199 3.065 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.148 1.271 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.356 2.168 -2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.621 2.470 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.870 2.401 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.295 3.645 -4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.147 4.123 -5.618 1.00 0.00 H new ATOM 766 N ASP A 55 10.112 8.240 -4.374 1.00 0.00 N ATOM 767 CA ASP A 55 9.851 9.573 -3.843 1.00 0.00 C ATOM 768 C ASP A 55 8.436 10.028 -4.187 1.00 0.00 C ATOM 769 O ASP A 55 7.760 9.414 -5.013 1.00 0.00 O ATOM 770 CB ASP A 55 10.870 10.572 -4.392 1.00 0.00 C ATOM 771 CG ASP A 55 11.247 10.282 -5.832 1.00 0.00 C ATOM 772 OD1 ASP A 55 10.489 10.688 -6.738 1.00 0.00 O ATOM 773 OD2 ASP A 55 12.301 9.650 -6.053 1.00 0.00 O ATOM 0 H ASP A 55 10.677 8.227 -5.223 1.00 0.00 H new ATOM 0 HA ASP A 55 9.945 9.530 -2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.460 11.580 -4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.767 10.549 -3.773 1.00 0.00 H new ATOM 778 N ASP A 56 7.996 11.106 -3.549 1.00 0.00 N ATOM 779 CA ASP A 56 6.661 11.644 -3.788 1.00 0.00 C ATOM 780 C ASP A 56 6.721 13.143 -4.067 1.00 0.00 C ATOM 781 O ASP A 56 7.633 13.845 -3.629 1.00 0.00 O ATOM 782 CB ASP A 56 5.756 11.372 -2.586 1.00 0.00 C ATOM 783 CG ASP A 56 5.064 10.026 -2.675 1.00 0.00 C ATOM 784 OD1 ASP A 56 5.690 9.011 -2.305 1.00 0.00 O ATOM 785 OD2 ASP A 56 3.896 9.988 -3.115 1.00 0.00 O ATOM 0 H ASP A 56 8.543 11.625 -2.862 1.00 0.00 H new ATOM 0 HA ASP A 56 6.247 11.146 -4.665 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.349 11.413 -1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.005 12.159 -2.515 1.00 0.00 H new ATOM 790 N PRO A 57 5.728 13.647 -4.814 1.00 0.00 N ATOM 791 CA PRO A 57 5.645 15.067 -5.168 1.00 0.00 C ATOM 792 C PRO A 57 5.319 15.946 -3.966 1.00 0.00 C ATOM 793 O PRO A 57 5.276 17.172 -4.075 1.00 0.00 O ATOM 794 CB PRO A 57 4.505 15.112 -6.189 1.00 0.00 C ATOM 795 CG PRO A 57 3.662 13.926 -5.868 1.00 0.00 C ATOM 796 CD PRO A 57 4.608 12.868 -5.369 1.00 0.00 C ATOM 0 HA PRO A 57 6.592 15.448 -5.549 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.935 16.037 -6.105 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.885 15.063 -7.209 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.916 14.171 -5.112 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.121 13.582 -6.749 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.143 12.238 -4.611 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.936 12.210 -6.174 1.00 0.00 H new ATOM 804 N ILE A 58 5.090 15.313 -2.820 1.00 0.00 N ATOM 805 CA ILE A 58 4.769 16.039 -1.598 1.00 0.00 C ATOM 806 C ILE A 58 6.014 16.687 -1.001 1.00 0.00 C ATOM 807 O ILE A 58 7.062 16.052 -0.885 1.00 0.00 O ATOM 808 CB ILE A 58 4.130 15.114 -0.545 1.00 0.00 C ATOM 809 CG1 ILE A 58 2.860 14.469 -1.104 1.00 0.00 C ATOM 810 CG2 ILE A 58 3.821 15.892 0.726 1.00 0.00 C ATOM 811 CD1 ILE A 58 2.549 13.120 -0.495 1.00 0.00 C ATOM 0 H ILE A 58 5.121 14.299 -2.713 1.00 0.00 H new ATOM 0 HA ILE A 58 4.053 16.815 -1.870 1.00 0.00 H new ATOM 0 HB ILE A 58 4.839 14.323 -0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.017 15.139 -0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.964 14.356 -2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.370 15.225 1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.743 16.308 1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.128 16.702 0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.636 12.722 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.374 12.435 -0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.412 13.229 0.581 1.00 0.00 H new ATOM 823 N SER A 59 5.890 17.955 -0.621 1.00 0.00 N ATOM 824 CA SER A 59 7.005 18.691 -0.038 1.00 0.00 C ATOM 825 C SER A 59 6.922 18.684 1.486 1.00 0.00 C ATOM 826 O SER A 59 5.848 18.858 2.061 1.00 0.00 O ATOM 827 CB SER A 59 7.019 20.131 -0.553 1.00 0.00 C ATOM 828 OG SER A 59 7.990 20.907 0.128 1.00 0.00 O ATOM 0 H SER A 59 5.028 18.494 -0.707 1.00 0.00 H new ATOM 0 HA SER A 59 7.930 18.198 -0.337 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.230 20.136 -1.622 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.034 20.578 -0.420 1.00 0.00 H new ATOM 0 HG SER A 59 7.980 21.823 -0.221 1.00 0.00 H new ATOM 834 N GLY A 60 8.065 18.483 2.134 1.00 0.00 N ATOM 835 CA GLY A 60 8.101 18.457 3.585 1.00 0.00 C ATOM 836 C GLY A 60 7.179 17.406 4.169 1.00 0.00 C ATOM 837 O GLY A 60 6.046 17.690 4.557 1.00 0.00 O ATOM 0 H GLY A 60 8.967 18.338 1.680 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.121 18.265 3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.820 19.437 3.970 1.00 0.00 H new ATOM 841 N PRO A 61 7.665 16.157 4.235 1.00 0.00 N ATOM 842 CA PRO A 61 6.892 15.034 4.774 1.00 0.00 C ATOM 843 C PRO A 61 6.689 15.141 6.282 1.00 0.00 C ATOM 844 O PRO A 61 5.822 14.476 6.849 1.00 0.00 O ATOM 845 CB PRO A 61 7.754 13.815 4.435 1.00 0.00 C ATOM 846 CG PRO A 61 9.140 14.349 4.331 1.00 0.00 C ATOM 847 CD PRO A 61 9.007 15.746 3.791 1.00 0.00 C ATOM 0 HA PRO A 61 5.887 14.992 4.354 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.681 13.051 5.209 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.436 13.353 3.500 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.631 14.352 5.304 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.747 13.731 3.670 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.780 16.405 4.186 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.095 15.767 2.705 1.00 0.00 H new ATOM 855 N SER A 62 7.493 15.981 6.925 1.00 0.00 N ATOM 856 CA SER A 62 7.404 16.171 8.368 1.00 0.00 C ATOM 857 C SER A 62 7.577 17.642 8.733 1.00 0.00 C ATOM 858 O SER A 62 8.391 18.349 8.139 1.00 0.00 O ATOM 859 CB SER A 62 8.462 15.329 9.081 1.00 0.00 C ATOM 860 OG SER A 62 8.069 15.035 10.411 1.00 0.00 O ATOM 0 H SER A 62 8.214 16.541 6.470 1.00 0.00 H new ATOM 0 HA SER A 62 6.415 15.848 8.692 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.623 14.401 8.532 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.412 15.863 9.089 1.00 0.00 H new ATOM 0 HG SER A 62 8.762 14.494 10.845 1.00 0.00 H new ATOM 866 N SER A 63 6.805 18.096 9.716 1.00 0.00 N ATOM 867 CA SER A 63 6.870 19.484 10.159 1.00 0.00 C ATOM 868 C SER A 63 6.865 19.568 11.682 1.00 0.00 C ATOM 869 O SER A 63 6.118 18.857 12.353 1.00 0.00 O ATOM 870 CB SER A 63 5.693 20.279 9.590 1.00 0.00 C ATOM 871 OG SER A 63 5.545 21.520 10.257 1.00 0.00 O ATOM 0 H SER A 63 6.128 17.523 10.220 1.00 0.00 H new ATOM 0 HA SER A 63 7.802 19.914 9.791 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.848 20.451 8.525 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.776 19.698 9.689 1.00 0.00 H new ATOM 0 HG SER A 63 4.787 22.009 9.873 1.00 0.00 H new ATOM 877 N GLY A 64 7.706 20.445 12.223 1.00 0.00 N ATOM 878 CA GLY A 64 7.785 20.607 13.663 1.00 0.00 C ATOM 879 C GLY A 64 9.125 20.175 14.223 1.00 0.00 C ATOM 880 O GLY A 64 10.168 20.695 13.825 1.00 0.00 O ATOM 0 H GLY A 64 8.334 21.046 11.689 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.608 21.652 13.918 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.993 20.025 14.135 1.00 0.00 H new TER 884 GLY A 64