USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 421 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 1 MET N :NH3+ 151:sc= 0.105 (180deg=-0.0536) USER MOD Set 1.2: A 4 ASN :FLIP amide:sc= 0.262 F(o=-0.88,f=0.37) USER MOD Single : A 1 MET CE :methyl -155:sc= -0.129 (180deg=-0.825) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -35:sc= 0.358 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= -0.998 (180deg=-1.2) USER MOD Single : A 42 SER OG : rot 91:sc= 0.0319 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.021 -14.039 -18.802 1.00 0.00 N ATOM 2 CA MET A 1 -8.681 -15.489 -18.852 1.00 0.00 C ATOM 3 C MET A 1 -7.404 -15.755 -18.078 1.00 0.00 C ATOM 4 O MET A 1 -7.437 -16.089 -16.893 1.00 0.00 O ATOM 5 CB MET A 1 -8.493 -15.925 -20.302 1.00 0.00 C ATOM 6 CG MET A 1 -9.845 -16.056 -20.972 1.00 0.00 C ATOM 7 SD MET A 1 -9.635 -16.614 -22.684 1.00 0.00 S ATOM 8 CE MET A 1 -8.904 -15.097 -23.351 1.00 0.00 C ATOM 0 H1 MET A 1 -9.543 -13.775 -19.662 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.611 -13.849 -17.967 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.147 -13.479 -18.742 1.00 0.00 H new ATOM 0 HA MET A 1 -9.496 -16.055 -18.402 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.881 -15.197 -20.835 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.963 -16.877 -20.340 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.465 -16.765 -20.423 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.364 -15.098 -20.954 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.097 -15.041 -24.422 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.347 -14.232 -22.857 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.828 -15.104 -23.176 1.00 0.00 H new ATOM 20 N PHE A 2 -6.280 -15.627 -18.764 1.00 0.00 N ATOM 21 CA PHE A 2 -4.997 -15.879 -18.146 1.00 0.00 C ATOM 22 C PHE A 2 -4.650 -14.762 -17.178 1.00 0.00 C ATOM 23 O PHE A 2 -3.585 -14.764 -16.563 1.00 0.00 O ATOM 24 CB PHE A 2 -3.920 -15.988 -19.223 1.00 0.00 C ATOM 25 CG PHE A 2 -4.495 -16.614 -20.477 1.00 0.00 C ATOM 26 CD1 PHE A 2 -5.494 -17.598 -20.398 1.00 0.00 C ATOM 27 CD2 PHE A 2 -4.022 -16.198 -21.727 1.00 0.00 C ATOM 28 CE1 PHE A 2 -6.013 -18.160 -21.572 1.00 0.00 C ATOM 29 CE2 PHE A 2 -4.543 -16.762 -22.897 1.00 0.00 C ATOM 30 CZ PHE A 2 -5.538 -17.742 -22.821 1.00 0.00 C ATOM 0 H PHE A 2 -6.234 -15.351 -19.745 1.00 0.00 H new ATOM 0 HA PHE A 2 -5.049 -16.817 -17.593 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -3.522 -14.999 -19.451 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -3.088 -16.589 -18.856 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -5.861 -17.921 -19.435 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -3.254 -15.441 -21.789 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -6.781 -18.917 -21.513 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -4.176 -16.440 -23.860 1.00 0.00 H new ATOM 0 HZ PHE A 2 -5.940 -18.176 -23.725 1.00 0.00 H new ATOM 40 N SER A 3 -5.562 -13.805 -17.054 1.00 0.00 N ATOM 41 CA SER A 3 -5.357 -12.671 -16.156 1.00 0.00 C ATOM 42 C SER A 3 -6.157 -12.861 -14.869 1.00 0.00 C ATOM 43 O SER A 3 -5.824 -12.291 -13.830 1.00 0.00 O ATOM 44 CB SER A 3 -5.773 -11.384 -16.866 1.00 0.00 C ATOM 45 OG SER A 3 -4.657 -10.860 -17.572 1.00 0.00 O ATOM 0 H SER A 3 -6.447 -13.790 -17.561 1.00 0.00 H new ATOM 0 HA SER A 3 -4.302 -12.606 -15.889 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.594 -11.583 -17.555 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.135 -10.655 -16.141 1.00 0.00 H new ATOM 0 HG SER A 3 -4.919 -10.035 -18.031 1.00 0.00 H new ATOM 51 N ASN A 4 -7.209 -13.666 -14.951 1.00 0.00 N ATOM 52 CA ASN A 4 -8.052 -13.929 -13.793 1.00 0.00 C ATOM 53 C ASN A 4 -7.313 -14.791 -12.780 1.00 0.00 C ATOM 54 O ASN A 4 -7.653 -14.805 -11.597 1.00 0.00 O ATOM 55 CB ASN A 4 -9.343 -14.625 -14.232 1.00 0.00 C ATOM 56 CG ASN A 4 -10.325 -13.603 -14.799 1.00 0.00 C ATOM 57 OD1 ASN A 4 -10.528 -13.552 -16.086 1.00 0.00 O flip ATOM 58 ND2 ASN A 4 -10.920 -12.829 -14.049 1.00 0.00 N flip ATOM 0 H ASN A 4 -7.497 -14.146 -15.804 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.302 -12.978 -13.322 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.119 -15.382 -14.984 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.793 -15.141 -13.384 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.760 -12.870 -13.042 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -11.573 -12.147 -14.434 1.00 0.00 H new ATOM 65 N ILE A 5 -6.313 -15.520 -13.251 1.00 0.00 N ATOM 66 CA ILE A 5 -5.554 -16.389 -12.376 1.00 0.00 C ATOM 67 C ILE A 5 -4.856 -15.594 -11.272 1.00 0.00 C ATOM 68 O ILE A 5 -5.071 -15.853 -10.084 1.00 0.00 O ATOM 69 CB ILE A 5 -4.531 -17.184 -13.208 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.648 -16.218 -14.020 1.00 0.00 C ATOM 71 CG2 ILE A 5 -5.278 -18.117 -14.167 1.00 0.00 C ATOM 72 CD1 ILE A 5 -2.912 -16.965 -15.148 1.00 0.00 C ATOM 0 H ILE A 5 -6.013 -15.525 -14.226 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.240 -17.083 -11.890 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.899 -17.768 -12.539 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.264 -15.425 -14.445 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.923 -15.740 -13.361 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.558 -18.683 -14.759 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.898 -18.806 -13.594 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.909 -17.527 -14.831 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.295 -16.262 -15.708 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.279 -17.741 -14.718 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.641 -17.421 -15.818 1.00 0.00 H new ATOM 84 N GLY A 6 -4.029 -14.627 -11.658 1.00 0.00 N ATOM 85 CA GLY A 6 -3.292 -13.810 -10.685 1.00 0.00 C ATOM 86 C GLY A 6 -1.901 -14.407 -10.432 1.00 0.00 C ATOM 87 O GLY A 6 -1.194 -14.765 -11.370 1.00 0.00 O ATOM 0 H GLY A 6 -3.849 -14.386 -12.633 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.195 -12.790 -11.056 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.848 -13.757 -9.749 1.00 0.00 H new ATOM 91 N ILE A 7 -1.532 -14.521 -9.155 1.00 0.00 N ATOM 92 CA ILE A 7 -0.239 -15.094 -8.768 1.00 0.00 C ATOM 93 C ILE A 7 -0.103 -16.520 -9.331 1.00 0.00 C ATOM 94 O ILE A 7 0.880 -16.809 -10.011 1.00 0.00 O ATOM 95 CB ILE A 7 -0.093 -15.036 -7.223 1.00 0.00 C ATOM 96 CG1 ILE A 7 0.656 -13.749 -6.812 1.00 0.00 C ATOM 97 CG2 ILE A 7 0.691 -16.237 -6.687 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.106 -12.521 -7.556 1.00 0.00 C ATOM 0 H ILE A 7 -2.110 -14.224 -8.369 1.00 0.00 H new ATOM 0 HA ILE A 7 0.578 -14.512 -9.194 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.098 -15.049 -6.801 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.561 -13.598 -5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.719 -13.860 -7.026 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.774 -16.163 -5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.170 -17.158 -6.949 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.688 -16.246 -7.127 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.654 -11.632 -7.245 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.225 -12.663 -8.630 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.951 -12.397 -7.321 1.00 0.00 H new ATOM 110 N PRO A 8 -1.058 -17.394 -9.131 1.00 0.00 N ATOM 111 CA PRO A 8 -1.008 -18.770 -9.710 1.00 0.00 C ATOM 112 C PRO A 8 -0.419 -18.741 -11.131 1.00 0.00 C ATOM 113 O PRO A 8 0.225 -19.697 -11.574 1.00 0.00 O ATOM 114 CB PRO A 8 -2.509 -19.162 -9.740 1.00 0.00 C ATOM 115 CG PRO A 8 -3.226 -17.912 -9.345 1.00 0.00 C ATOM 116 CD PRO A 8 -2.290 -17.243 -8.368 1.00 0.00 C ATOM 0 HA PRO A 8 -0.383 -19.465 -9.149 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.812 -19.498 -10.732 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.721 -19.977 -9.048 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.423 -17.276 -10.208 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.190 -18.133 -8.886 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.547 -16.201 -8.178 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.255 -17.744 -7.401 1.00 0.00 H new ATOM 124 N GLY A 9 -0.659 -17.629 -11.832 1.00 0.00 N ATOM 125 CA GLY A 9 -0.160 -17.462 -13.190 1.00 0.00 C ATOM 126 C GLY A 9 1.289 -16.992 -13.172 1.00 0.00 C ATOM 127 O GLY A 9 2.074 -17.328 -14.058 1.00 0.00 O ATOM 0 H GLY A 9 -1.195 -16.836 -11.478 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.236 -18.406 -13.730 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.776 -16.739 -13.724 1.00 0.00 H new ATOM 131 N LEU A 10 1.636 -16.202 -12.160 1.00 0.00 N ATOM 132 CA LEU A 10 2.988 -15.681 -12.046 1.00 0.00 C ATOM 133 C LEU A 10 4.006 -16.811 -11.896 1.00 0.00 C ATOM 134 O LEU A 10 5.098 -16.754 -12.467 1.00 0.00 O ATOM 135 CB LEU A 10 3.076 -14.734 -10.852 1.00 0.00 C ATOM 136 CG LEU A 10 4.502 -14.129 -10.740 1.00 0.00 C ATOM 137 CD1 LEU A 10 4.408 -12.678 -10.254 1.00 0.00 C ATOM 138 CD2 LEU A 10 5.356 -14.927 -9.741 1.00 0.00 C ATOM 0 H LEU A 10 1.003 -15.912 -11.414 1.00 0.00 H new ATOM 0 HA LEU A 10 3.223 -15.137 -12.960 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.343 -13.934 -10.960 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.830 -15.271 -9.936 1.00 0.00 H new ATOM 0 HG LEU A 10 4.969 -14.171 -11.724 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.409 -12.255 -10.176 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.822 -12.094 -10.963 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.926 -12.652 -9.277 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.351 -14.485 -9.679 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.885 -14.901 -8.758 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.438 -15.961 -10.077 1.00 0.00 H new ATOM 150 N ILE A 11 3.650 -17.828 -11.121 1.00 0.00 N ATOM 151 CA ILE A 11 4.547 -18.957 -10.893 1.00 0.00 C ATOM 152 C ILE A 11 4.864 -19.653 -12.210 1.00 0.00 C ATOM 153 O ILE A 11 6.017 -19.960 -12.478 1.00 0.00 O ATOM 154 CB ILE A 11 3.890 -19.950 -9.909 1.00 0.00 C ATOM 155 CG1 ILE A 11 4.043 -19.441 -8.473 1.00 0.00 C ATOM 156 CG2 ILE A 11 4.548 -21.331 -10.016 1.00 0.00 C ATOM 157 CD1 ILE A 11 3.554 -18.000 -8.377 1.00 0.00 C ATOM 0 H ILE A 11 2.752 -17.896 -10.642 1.00 0.00 H new ATOM 0 HA ILE A 11 5.479 -18.591 -10.463 1.00 0.00 H new ATOM 0 HB ILE A 11 2.834 -20.033 -10.165 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.474 -20.073 -7.791 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.087 -19.501 -8.166 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.071 -22.016 -9.315 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.432 -21.711 -11.031 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.608 -21.248 -9.778 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.666 -17.645 -7.352 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.142 -17.371 -9.045 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.504 -17.952 -8.665 1.00 0.00 H new ATOM 169 N LEU A 12 3.850 -19.891 -13.024 1.00 0.00 N ATOM 170 CA LEU A 12 4.066 -20.558 -14.297 1.00 0.00 C ATOM 171 C LEU A 12 5.035 -19.758 -15.152 1.00 0.00 C ATOM 172 O LEU A 12 5.955 -20.315 -15.740 1.00 0.00 O ATOM 173 CB LEU A 12 2.732 -20.701 -15.035 1.00 0.00 C ATOM 174 CG LEU A 12 2.836 -21.787 -16.125 1.00 0.00 C ATOM 175 CD1 LEU A 12 2.542 -23.169 -15.523 1.00 0.00 C ATOM 176 CD2 LEU A 12 1.822 -21.497 -17.241 1.00 0.00 C ATOM 0 H LEU A 12 2.881 -19.637 -12.831 1.00 0.00 H new ATOM 0 HA LEU A 12 4.489 -21.545 -14.110 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.944 -20.960 -14.328 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.455 -19.748 -15.487 1.00 0.00 H new ATOM 0 HG LEU A 12 3.846 -21.780 -16.534 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.618 -23.928 -16.301 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.264 -23.383 -14.735 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.535 -23.177 -15.105 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.898 -22.266 -18.010 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.814 -21.497 -16.826 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.034 -20.522 -17.681 1.00 0.00 H new ATOM 188 N ILE A 13 4.832 -18.450 -15.188 1.00 0.00 N ATOM 189 CA ILE A 13 5.702 -17.566 -15.952 1.00 0.00 C ATOM 190 C ILE A 13 7.102 -17.564 -15.367 1.00 0.00 C ATOM 191 O ILE A 13 8.092 -17.562 -16.098 1.00 0.00 O ATOM 192 CB ILE A 13 5.132 -16.135 -15.941 1.00 0.00 C ATOM 193 CG1 ILE A 13 3.991 -16.030 -16.960 1.00 0.00 C ATOM 194 CG2 ILE A 13 6.232 -15.116 -16.286 1.00 0.00 C ATOM 195 CD1 ILE A 13 3.212 -14.734 -16.730 1.00 0.00 C ATOM 0 H ILE A 13 4.073 -17.976 -14.698 1.00 0.00 H new ATOM 0 HA ILE A 13 5.752 -17.928 -16.979 1.00 0.00 H new ATOM 0 HB ILE A 13 4.752 -15.914 -14.943 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.392 -16.049 -17.973 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.325 -16.888 -16.865 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.813 -14.110 -16.274 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.034 -15.184 -15.551 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.630 -15.332 -17.278 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.402 -14.663 -17.456 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.797 -14.733 -15.722 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.881 -13.882 -16.848 1.00 0.00 H new ATOM 207 N PHE A 14 7.176 -17.513 -14.053 1.00 0.00 N ATOM 208 CA PHE A 14 8.455 -17.452 -13.396 1.00 0.00 C ATOM 209 C PHE A 14 9.306 -18.658 -13.787 1.00 0.00 C ATOM 210 O PHE A 14 10.503 -18.534 -14.046 1.00 0.00 O ATOM 211 CB PHE A 14 8.243 -17.396 -11.884 1.00 0.00 C ATOM 212 CG PHE A 14 9.402 -16.671 -11.227 1.00 0.00 C ATOM 213 CD1 PHE A 14 10.687 -17.218 -11.270 1.00 0.00 C ATOM 214 CD2 PHE A 14 9.187 -15.438 -10.598 1.00 0.00 C ATOM 215 CE1 PHE A 14 11.757 -16.530 -10.682 1.00 0.00 C ATOM 216 CE2 PHE A 14 10.255 -14.756 -10.007 1.00 0.00 C ATOM 217 CZ PHE A 14 11.540 -15.301 -10.050 1.00 0.00 C ATOM 0 H PHE A 14 6.370 -17.513 -13.428 1.00 0.00 H new ATOM 0 HA PHE A 14 8.986 -16.553 -13.709 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.307 -16.884 -11.658 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.159 -18.406 -11.482 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.855 -18.168 -11.755 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.194 -15.013 -10.569 1.00 0.00 H new ATOM 0 HE1 PHE A 14 12.752 -16.950 -10.717 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.086 -13.808 -9.518 1.00 0.00 H new ATOM 0 HZ PHE A 14 12.366 -14.774 -9.596 1.00 0.00 H new ATOM 227 N VAL A 15 8.671 -19.818 -13.826 1.00 0.00 N ATOM 228 CA VAL A 15 9.354 -21.057 -14.181 1.00 0.00 C ATOM 229 C VAL A 15 10.019 -20.908 -15.539 1.00 0.00 C ATOM 230 O VAL A 15 11.143 -21.354 -15.748 1.00 0.00 O ATOM 231 CB VAL A 15 8.343 -22.198 -14.224 1.00 0.00 C ATOM 232 CG1 VAL A 15 9.098 -23.526 -14.386 1.00 0.00 C ATOM 233 CG2 VAL A 15 7.501 -22.196 -12.920 1.00 0.00 C ATOM 0 H VAL A 15 7.679 -19.930 -13.616 1.00 0.00 H new ATOM 0 HA VAL A 15 10.117 -21.276 -13.434 1.00 0.00 H new ATOM 0 HB VAL A 15 7.666 -22.071 -15.068 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.384 -24.349 -14.418 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.672 -23.508 -15.312 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.775 -23.665 -13.543 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.779 -23.012 -12.952 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.160 -22.328 -12.061 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.972 -21.247 -12.830 1.00 0.00 H new ATOM 243 N ILE A 16 9.321 -20.274 -16.458 1.00 0.00 N ATOM 244 CA ILE A 16 9.872 -20.068 -17.793 1.00 0.00 C ATOM 245 C ILE A 16 11.234 -19.390 -17.693 1.00 0.00 C ATOM 246 O ILE A 16 12.134 -19.671 -18.468 1.00 0.00 O ATOM 247 CB ILE A 16 8.939 -19.199 -18.627 1.00 0.00 C ATOM 248 CG1 ILE A 16 7.519 -19.771 -18.580 1.00 0.00 C ATOM 249 CG2 ILE A 16 9.432 -19.152 -20.074 1.00 0.00 C ATOM 250 CD1 ILE A 16 7.516 -21.253 -18.979 1.00 0.00 C ATOM 0 H ILE A 16 8.385 -19.895 -16.315 1.00 0.00 H new ATOM 0 HA ILE A 16 9.980 -21.040 -18.275 1.00 0.00 H new ATOM 0 HB ILE A 16 8.931 -18.188 -18.220 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.110 -19.659 -17.576 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.872 -19.207 -19.252 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.762 -18.529 -20.667 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.437 -18.732 -20.102 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.449 -20.161 -20.486 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.497 -21.639 -18.939 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.904 -21.358 -19.992 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.145 -21.817 -18.290 1.00 0.00 H new ATOM 262 N ALA A 17 11.368 -18.497 -16.729 1.00 0.00 N ATOM 263 CA ALA A 17 12.629 -17.783 -16.514 1.00 0.00 C ATOM 264 C ALA A 17 13.672 -18.726 -15.917 1.00 0.00 C ATOM 265 O ALA A 17 14.859 -18.605 -16.170 1.00 0.00 O ATOM 266 CB ALA A 17 12.379 -16.579 -15.584 1.00 0.00 C ATOM 0 H ALA A 17 10.624 -18.244 -16.079 1.00 0.00 H new ATOM 0 HA ALA A 17 13.012 -17.419 -17.467 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.315 -16.045 -15.421 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.653 -15.908 -16.044 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.992 -16.932 -14.628 1.00 0.00 H new ATOM 272 N LEU A 18 13.216 -19.653 -15.110 1.00 0.00 N ATOM 273 CA LEU A 18 14.110 -20.591 -14.469 1.00 0.00 C ATOM 274 C LEU A 18 14.822 -21.468 -15.481 1.00 0.00 C ATOM 275 O LEU A 18 16.002 -21.779 -15.319 1.00 0.00 O ATOM 276 CB LEU A 18 13.305 -21.447 -13.505 1.00 0.00 C ATOM 277 CG LEU A 18 12.658 -20.584 -12.413 1.00 0.00 C ATOM 278 CD1 LEU A 18 12.182 -21.491 -11.293 1.00 0.00 C ATOM 279 CD2 LEU A 18 13.642 -19.577 -11.846 1.00 0.00 C ATOM 0 H LEU A 18 12.230 -19.779 -14.880 1.00 0.00 H new ATOM 0 HA LEU A 18 14.877 -20.034 -13.931 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.533 -21.988 -14.051 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.954 -22.194 -13.047 1.00 0.00 H new ATOM 0 HG LEU A 18 11.825 -20.037 -12.854 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.720 -20.890 -10.510 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.453 -22.200 -11.684 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.031 -22.035 -10.880 1.00 0.00 H new ATOM 0 HD21 LEU A 18 13.151 -18.983 -11.075 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.492 -20.104 -11.412 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.991 -18.921 -12.643 1.00 0.00 H new ATOM 291 N ILE A 19 14.112 -21.878 -16.512 1.00 0.00 N ATOM 292 CA ILE A 19 14.717 -22.733 -17.521 1.00 0.00 C ATOM 293 C ILE A 19 15.938 -22.039 -18.134 1.00 0.00 C ATOM 294 O ILE A 19 16.980 -22.658 -18.343 1.00 0.00 O ATOM 295 CB ILE A 19 13.680 -23.105 -18.606 1.00 0.00 C ATOM 296 CG1 ILE A 19 13.651 -22.039 -19.726 1.00 0.00 C ATOM 297 CG2 ILE A 19 12.298 -23.212 -17.956 1.00 0.00 C ATOM 298 CD1 ILE A 19 12.385 -22.182 -20.579 1.00 0.00 C ATOM 0 H ILE A 19 13.134 -21.641 -16.675 1.00 0.00 H new ATOM 0 HA ILE A 19 15.052 -23.657 -17.050 1.00 0.00 H new ATOM 0 HB ILE A 19 13.958 -24.060 -19.052 1.00 0.00 H new ATOM 0 HG12 ILE A 19 13.689 -21.042 -19.287 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.534 -22.143 -20.357 1.00 0.00 H new ATOM 0 HG21 ILE A 19 11.559 -23.474 -18.713 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.317 -23.983 -17.185 1.00 0.00 H new ATOM 0 HG23 ILE A 19 12.033 -22.255 -17.506 1.00 0.00 H new ATOM 0 HD11 ILE A 19 12.385 -21.422 -21.361 1.00 0.00 H new ATOM 0 HD12 ILE A 19 12.363 -23.172 -21.035 1.00 0.00 H new ATOM 0 HD13 ILE A 19 11.505 -22.054 -19.949 1.00 0.00 H new ATOM 310 N ILE A 20 15.789 -20.747 -18.415 1.00 0.00 N ATOM 311 CA ILE A 20 16.864 -19.958 -19.000 1.00 0.00 C ATOM 312 C ILE A 20 17.820 -19.459 -17.920 1.00 0.00 C ATOM 313 O ILE A 20 19.031 -19.409 -18.134 1.00 0.00 O ATOM 314 CB ILE A 20 16.280 -18.779 -19.794 1.00 0.00 C ATOM 315 CG1 ILE A 20 17.423 -17.846 -20.284 1.00 0.00 C ATOM 316 CG2 ILE A 20 15.273 -18.023 -18.933 1.00 0.00 C ATOM 317 CD1 ILE A 20 17.551 -16.603 -19.393 1.00 0.00 C ATOM 0 H ILE A 20 14.930 -20.225 -18.245 1.00 0.00 H new ATOM 0 HA ILE A 20 17.430 -20.593 -19.682 1.00 0.00 H new ATOM 0 HB ILE A 20 15.758 -19.156 -20.673 1.00 0.00 H new ATOM 0 HG12 ILE A 20 18.366 -18.393 -20.286 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.230 -17.540 -21.312 1.00 0.00 H new ATOM 0 HG21 ILE A 20 14.863 -17.188 -19.501 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.466 -18.695 -18.642 1.00 0.00 H new ATOM 0 HG23 ILE A 20 15.770 -17.644 -18.040 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.359 -15.972 -19.763 1.00 0.00 H new ATOM 0 HD12 ILE A 20 16.616 -16.044 -19.412 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.769 -16.910 -18.370 1.00 0.00 H new ATOM 329 N PHE A 21 17.276 -19.091 -16.755 1.00 0.00 N ATOM 330 CA PHE A 21 18.105 -18.602 -15.656 1.00 0.00 C ATOM 331 C PHE A 21 18.473 -19.739 -14.704 1.00 0.00 C ATOM 332 O PHE A 21 19.613 -20.204 -14.707 1.00 0.00 O ATOM 333 CB PHE A 21 17.384 -17.489 -14.894 1.00 0.00 C ATOM 334 CG PHE A 21 17.258 -16.276 -15.794 1.00 0.00 C ATOM 335 CD1 PHE A 21 18.409 -15.606 -16.236 1.00 0.00 C ATOM 336 CD2 PHE A 21 15.996 -15.835 -16.204 1.00 0.00 C ATOM 337 CE1 PHE A 21 18.290 -14.498 -17.082 1.00 0.00 C ATOM 338 CE2 PHE A 21 15.880 -14.730 -17.053 1.00 0.00 C ATOM 339 CZ PHE A 21 17.026 -14.062 -17.493 1.00 0.00 C ATOM 0 H PHE A 21 16.277 -19.123 -16.553 1.00 0.00 H new ATOM 0 HA PHE A 21 19.024 -18.198 -16.081 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.397 -17.827 -14.578 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.937 -17.232 -13.991 1.00 0.00 H new ATOM 0 HD1 PHE A 21 19.386 -15.945 -15.924 1.00 0.00 H new ATOM 0 HD2 PHE A 21 15.109 -16.349 -15.864 1.00 0.00 H new ATOM 0 HE1 PHE A 21 19.175 -13.979 -17.418 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.904 -14.392 -17.369 1.00 0.00 H new ATOM 0 HZ PHE A 21 16.936 -13.210 -18.150 1.00 0.00 H new ATOM 349 N GLY A 22 17.509 -20.197 -13.897 1.00 0.00 N ATOM 350 CA GLY A 22 17.758 -21.290 -12.961 1.00 0.00 C ATOM 351 C GLY A 22 17.296 -20.911 -11.551 1.00 0.00 C ATOM 352 O GLY A 22 17.453 -19.764 -11.135 1.00 0.00 O ATOM 0 H GLY A 22 16.558 -19.829 -13.876 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.233 -22.186 -13.292 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.821 -21.530 -12.949 1.00 0.00 H new ATOM 356 N PRO A 23 16.740 -21.840 -10.807 1.00 0.00 N ATOM 357 CA PRO A 23 16.263 -21.570 -9.419 1.00 0.00 C ATOM 358 C PRO A 23 17.420 -21.304 -8.463 1.00 0.00 C ATOM 359 O PRO A 23 17.235 -20.726 -7.392 1.00 0.00 O ATOM 360 CB PRO A 23 15.493 -22.843 -9.037 1.00 0.00 C ATOM 361 CG PRO A 23 16.080 -23.912 -9.894 1.00 0.00 C ATOM 362 CD PRO A 23 16.504 -23.240 -11.195 1.00 0.00 C ATOM 0 HA PRO A 23 15.644 -20.675 -9.361 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.611 -23.075 -7.978 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.425 -22.730 -9.221 1.00 0.00 H new ATOM 0 HG2 PRO A 23 16.934 -24.378 -9.402 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.352 -24.700 -10.084 1.00 0.00 H new ATOM 0 HD2 PRO A 23 17.403 -23.698 -11.607 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.729 -23.319 -11.957 1.00 0.00 H new ATOM 370 N SER A 24 18.615 -21.733 -8.860 1.00 0.00 N ATOM 371 CA SER A 24 19.804 -21.542 -8.037 1.00 0.00 C ATOM 372 C SER A 24 20.454 -20.201 -8.347 1.00 0.00 C ATOM 373 O SER A 24 21.489 -19.856 -7.777 1.00 0.00 O ATOM 374 CB SER A 24 20.801 -22.672 -8.285 1.00 0.00 C ATOM 375 OG SER A 24 21.801 -22.646 -7.275 1.00 0.00 O ATOM 0 H SER A 24 18.785 -22.214 -9.744 1.00 0.00 H new ATOM 0 HA SER A 24 19.506 -21.553 -6.989 1.00 0.00 H new ATOM 0 HB2 SER A 24 20.287 -23.633 -8.280 1.00 0.00 H new ATOM 0 HB3 SER A 24 21.258 -22.560 -9.268 1.00 0.00 H new ATOM 0 HG SER A 24 21.994 -21.717 -7.029 1.00 0.00 H new ATOM 381 N LYS A 25 19.836 -19.441 -9.252 1.00 0.00 N ATOM 382 CA LYS A 25 20.353 -18.125 -9.632 1.00 0.00 C ATOM 383 C LYS A 25 19.598 -17.007 -8.915 1.00 0.00 C ATOM 384 O LYS A 25 20.032 -15.858 -8.927 1.00 0.00 O ATOM 385 CB LYS A 25 20.247 -17.958 -11.164 1.00 0.00 C ATOM 386 CG LYS A 25 21.632 -18.034 -11.823 1.00 0.00 C ATOM 387 CD LYS A 25 22.267 -19.408 -11.559 1.00 0.00 C ATOM 388 CE LYS A 25 23.330 -19.692 -12.618 1.00 0.00 C ATOM 389 NZ LYS A 25 23.914 -21.043 -12.384 1.00 0.00 N ATOM 0 H LYS A 25 18.979 -19.713 -9.734 1.00 0.00 H new ATOM 0 HA LYS A 25 21.399 -18.058 -9.332 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.602 -18.735 -11.574 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.781 -17.001 -11.398 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.542 -17.866 -12.896 1.00 0.00 H new ATOM 0 HG3 LYS A 25 22.274 -17.246 -11.430 1.00 0.00 H new ATOM 0 HD2 LYS A 25 22.714 -19.428 -10.565 1.00 0.00 H new ATOM 0 HD3 LYS A 25 21.502 -20.184 -11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 25 22.889 -19.642 -13.614 1.00 0.00 H new ATOM 0 HE3 LYS A 25 24.112 -18.934 -12.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 24.638 -21.238 -13.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 24.348 -21.075 -11.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.164 -21.761 -12.444 1.00 0.00 H new ATOM 403 N LEU A 26 18.476 -17.339 -8.292 1.00 0.00 N ATOM 404 CA LEU A 26 17.703 -16.332 -7.586 1.00 0.00 C ATOM 405 C LEU A 26 18.384 -15.963 -6.263 1.00 0.00 C ATOM 406 O LEU A 26 18.434 -14.789 -5.897 1.00 0.00 O ATOM 407 CB LEU A 26 16.269 -16.826 -7.348 1.00 0.00 C ATOM 408 CG LEU A 26 15.820 -17.717 -8.514 1.00 0.00 C ATOM 409 CD1 LEU A 26 14.357 -18.137 -8.314 1.00 0.00 C ATOM 410 CD2 LEU A 26 15.956 -16.945 -9.834 1.00 0.00 C ATOM 0 H LEU A 26 18.087 -18.281 -8.261 1.00 0.00 H new ATOM 0 HA LEU A 26 17.654 -15.435 -8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 26 16.218 -17.384 -6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.594 -15.976 -7.249 1.00 0.00 H new ATOM 0 HG LEU A 26 16.448 -18.607 -8.547 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.043 -18.769 -9.145 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.262 -18.691 -7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.726 -17.249 -8.275 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.637 -17.579 -10.661 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.332 -16.052 -9.799 1.00 0.00 H new ATOM 0 HD23 LEU A 26 16.996 -16.655 -9.980 1.00 0.00 H new ATOM 422 N PRO A 27 18.918 -16.929 -5.550 1.00 0.00 N ATOM 423 CA PRO A 27 19.619 -16.679 -4.254 1.00 0.00 C ATOM 424 C PRO A 27 20.874 -15.824 -4.456 1.00 0.00 C ATOM 425 O PRO A 27 21.220 -14.995 -3.615 1.00 0.00 O ATOM 426 CB PRO A 27 19.978 -18.092 -3.753 1.00 0.00 C ATOM 427 CG PRO A 27 19.099 -19.015 -4.526 1.00 0.00 C ATOM 428 CD PRO A 27 18.928 -18.356 -5.883 1.00 0.00 C ATOM 0 HA PRO A 27 19.005 -16.125 -3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.031 -18.315 -3.925 1.00 0.00 H new ATOM 0 HB3 PRO A 27 19.803 -18.186 -2.681 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.551 -20.002 -4.622 1.00 0.00 H new ATOM 0 HG3 PRO A 27 18.138 -19.151 -4.030 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.744 -18.608 -6.561 1.00 0.00 H new ATOM 0 HD3 PRO A 27 18.003 -18.665 -6.369 1.00 0.00 H new ATOM 436 N GLU A 28 21.544 -16.046 -5.584 1.00 0.00 N ATOM 437 CA GLU A 28 22.760 -15.313 -5.915 1.00 0.00 C ATOM 438 C GLU A 28 22.463 -13.836 -6.142 1.00 0.00 C ATOM 439 O GLU A 28 23.213 -12.966 -5.701 1.00 0.00 O ATOM 440 CB GLU A 28 23.399 -15.930 -7.162 1.00 0.00 C ATOM 441 CG GLU A 28 24.638 -15.130 -7.541 1.00 0.00 C ATOM 442 CD GLU A 28 25.384 -15.808 -8.685 1.00 0.00 C ATOM 443 OE1 GLU A 28 25.103 -16.966 -8.947 1.00 0.00 O ATOM 444 OE2 GLU A 28 26.227 -15.158 -9.283 1.00 0.00 O ATOM 0 H GLU A 28 21.263 -16.731 -6.286 1.00 0.00 H new ATOM 0 HA GLU A 28 23.455 -15.385 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.667 -16.969 -6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 28 22.687 -15.931 -7.987 1.00 0.00 H new ATOM 0 HG2 GLU A 28 24.350 -14.121 -7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.295 -15.035 -6.677 1.00 0.00 H new ATOM 451 N ILE A 29 21.371 -13.564 -6.831 1.00 0.00 N ATOM 452 CA ILE A 29 20.979 -12.192 -7.116 1.00 0.00 C ATOM 453 C ILE A 29 20.641 -11.456 -5.822 1.00 0.00 C ATOM 454 O ILE A 29 21.032 -10.306 -5.631 1.00 0.00 O ATOM 455 CB ILE A 29 19.758 -12.188 -8.034 1.00 0.00 C ATOM 456 CG1 ILE A 29 20.148 -12.753 -9.395 1.00 0.00 C ATOM 457 CG2 ILE A 29 19.247 -10.756 -8.209 1.00 0.00 C ATOM 458 CD1 ILE A 29 18.885 -13.072 -10.197 1.00 0.00 C ATOM 0 H ILE A 29 20.739 -14.272 -7.204 1.00 0.00 H new ATOM 0 HA ILE A 29 21.810 -11.685 -7.606 1.00 0.00 H new ATOM 0 HB ILE A 29 18.972 -12.801 -7.592 1.00 0.00 H new ATOM 0 HG12 ILE A 29 20.763 -12.034 -9.936 1.00 0.00 H new ATOM 0 HG13 ILE A 29 20.748 -13.654 -9.268 1.00 0.00 H new ATOM 0 HG21 ILE A 29 18.376 -10.758 -8.865 1.00 0.00 H new ATOM 0 HG22 ILE A 29 18.969 -10.348 -7.237 1.00 0.00 H new ATOM 0 HG23 ILE A 29 20.032 -10.141 -8.650 1.00 0.00 H new ATOM 0 HD11 ILE A 29 19.164 -13.476 -11.170 1.00 0.00 H new ATOM 0 HD12 ILE A 29 18.287 -13.806 -9.657 1.00 0.00 H new ATOM 0 HD13 ILE A 29 18.302 -12.161 -10.336 1.00 0.00 H new ATOM 470 N GLY A 30 19.907 -12.128 -4.941 1.00 0.00 N ATOM 471 CA GLY A 30 19.519 -11.522 -3.673 1.00 0.00 C ATOM 472 C GLY A 30 20.746 -11.152 -2.854 1.00 0.00 C ATOM 473 O GLY A 30 20.815 -10.069 -2.273 1.00 0.00 O ATOM 0 H GLY A 30 19.572 -13.082 -5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.918 -10.632 -3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 30 18.895 -12.215 -3.109 1.00 0.00 H new ATOM 477 N ARG A 31 21.716 -12.058 -2.811 1.00 0.00 N ATOM 478 CA ARG A 31 22.940 -11.818 -2.064 1.00 0.00 C ATOM 479 C ARG A 31 23.703 -10.651 -2.651 1.00 0.00 C ATOM 480 O ARG A 31 24.193 -9.782 -1.931 1.00 0.00 O ATOM 481 CB ARG A 31 23.818 -13.049 -2.169 1.00 0.00 C ATOM 482 CG ARG A 31 23.189 -14.210 -1.402 1.00 0.00 C ATOM 483 CD ARG A 31 23.806 -15.508 -1.880 1.00 0.00 C ATOM 484 NE ARG A 31 23.578 -16.575 -0.911 1.00 0.00 N ATOM 485 CZ ARG A 31 24.280 -16.635 0.216 1.00 0.00 C ATOM 486 NH1 ARG A 31 25.203 -15.746 0.458 1.00 0.00 N ATOM 487 NH2 ARG A 31 24.049 -17.587 1.080 1.00 0.00 N ATOM 0 H ARG A 31 21.677 -12.961 -3.283 1.00 0.00 H new ATOM 0 HA ARG A 31 22.682 -11.598 -1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 31 23.949 -13.323 -3.216 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.809 -12.833 -1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 31 23.353 -14.087 -0.331 1.00 0.00 H new ATOM 0 HG3 ARG A 31 22.111 -14.225 -1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 31 23.378 -15.787 -2.843 1.00 0.00 H new ATOM 0 HD3 ARG A 31 24.877 -15.373 -2.034 1.00 0.00 H new ATOM 0 HE ARG A 31 22.870 -17.284 -1.101 1.00 0.00 H new ATOM 0 HH11 ARG A 31 25.386 -15.004 -0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 31 25.741 -15.792 1.323 1.00 0.00 H new ATOM 0 HH21 ARG A 31 23.330 -18.285 0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 31 24.588 -17.633 1.945 1.00 0.00 H new ATOM 501 N ALA A 32 23.811 -10.652 -3.970 1.00 0.00 N ATOM 502 CA ALA A 32 24.537 -9.595 -4.651 1.00 0.00 C ATOM 503 C ALA A 32 23.860 -8.256 -4.390 1.00 0.00 C ATOM 504 O ALA A 32 24.509 -7.282 -4.010 1.00 0.00 O ATOM 505 CB ALA A 32 24.579 -9.863 -6.152 1.00 0.00 C ATOM 0 H ALA A 32 23.411 -11.363 -4.582 1.00 0.00 H new ATOM 0 HA ALA A 32 25.557 -9.568 -4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 32 25.126 -9.062 -6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 32 25.078 -10.814 -6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.562 -9.905 -6.543 1.00 0.00 H new ATOM 511 N ALA A 33 22.544 -8.230 -4.568 1.00 0.00 N ATOM 512 CA ALA A 33 21.774 -7.019 -4.320 1.00 0.00 C ATOM 513 C ALA A 33 21.838 -6.682 -2.843 1.00 0.00 C ATOM 514 O ALA A 33 21.719 -5.523 -2.445 1.00 0.00 O ATOM 515 CB ALA A 33 20.310 -7.234 -4.719 1.00 0.00 C ATOM 0 H ALA A 33 21.992 -9.028 -4.881 1.00 0.00 H new ATOM 0 HA ALA A 33 22.192 -6.204 -4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 33 19.744 -6.322 -4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.254 -7.482 -5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.889 -8.051 -4.133 1.00 0.00 H new ATOM 521 N GLY A 34 21.991 -7.722 -2.036 1.00 0.00 N ATOM 522 CA GLY A 34 22.032 -7.551 -0.601 1.00 0.00 C ATOM 523 C GLY A 34 23.111 -6.551 -0.201 1.00 0.00 C ATOM 524 O GLY A 34 22.883 -5.678 0.637 1.00 0.00 O ATOM 0 H GLY A 34 22.088 -8.686 -2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 34 21.061 -7.206 -0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 34 22.225 -8.511 -0.122 1.00 0.00 H new ATOM 528 N ARG A 35 24.285 -6.684 -0.807 1.00 0.00 N ATOM 529 CA ARG A 35 25.397 -5.787 -0.510 1.00 0.00 C ATOM 530 C ARG A 35 25.084 -4.375 -0.983 1.00 0.00 C ATOM 531 O ARG A 35 25.359 -3.397 -0.290 1.00 0.00 O ATOM 532 CB ARG A 35 26.671 -6.292 -1.195 1.00 0.00 C ATOM 533 CG ARG A 35 26.730 -7.822 -1.115 1.00 0.00 C ATOM 534 CD ARG A 35 26.487 -8.283 0.327 1.00 0.00 C ATOM 535 NE ARG A 35 27.064 -9.605 0.544 1.00 0.00 N ATOM 536 CZ ARG A 35 26.659 -10.370 1.553 1.00 0.00 C ATOM 537 NH1 ARG A 35 25.726 -9.946 2.361 1.00 0.00 N ATOM 538 NH2 ARG A 35 27.194 -11.546 1.736 1.00 0.00 N ATOM 0 H ARG A 35 24.492 -7.400 -1.503 1.00 0.00 H new ATOM 0 HA ARG A 35 25.550 -5.769 0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 35 26.686 -5.972 -2.237 1.00 0.00 H new ATOM 0 HB3 ARG A 35 27.549 -5.859 -0.716 1.00 0.00 H new ATOM 0 HG2 ARG A 35 25.981 -8.258 -1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 35 27.702 -8.175 -1.459 1.00 0.00 H new ATOM 0 HD2 ARG A 35 26.927 -7.569 1.023 1.00 0.00 H new ATOM 0 HD3 ARG A 35 25.417 -8.309 0.532 1.00 0.00 H new ATOM 0 HE ARG A 35 27.788 -9.947 -0.087 1.00 0.00 H new ATOM 0 HH11 ARG A 35 25.307 -9.027 2.219 1.00 0.00 H new ATOM 0 HH12 ARG A 35 25.416 -10.534 3.135 1.00 0.00 H new ATOM 0 HH21 ARG A 35 27.923 -11.878 1.105 1.00 0.00 H new ATOM 0 HH22 ARG A 35 26.883 -12.133 2.510 1.00 0.00 H new ATOM 552 N THR A 36 24.504 -4.291 -2.168 1.00 0.00 N ATOM 553 CA THR A 36 24.140 -3.012 -2.753 1.00 0.00 C ATOM 554 C THR A 36 23.079 -2.322 -1.901 1.00 0.00 C ATOM 555 O THR A 36 23.141 -1.122 -1.665 1.00 0.00 O ATOM 556 CB THR A 36 23.619 -3.251 -4.180 1.00 0.00 C ATOM 557 OG1 THR A 36 24.719 -3.481 -5.049 1.00 0.00 O ATOM 558 CG2 THR A 36 22.815 -2.048 -4.674 1.00 0.00 C ATOM 0 H THR A 36 24.274 -5.099 -2.747 1.00 0.00 H new ATOM 0 HA THR A 36 25.014 -2.361 -2.790 1.00 0.00 H new ATOM 0 HB THR A 36 22.964 -4.122 -4.172 1.00 0.00 H new ATOM 0 HG1 THR A 36 24.390 -3.635 -5.959 1.00 0.00 H new ATOM 0 HG21 THR A 36 22.457 -2.240 -5.685 1.00 0.00 H new ATOM 0 HG22 THR A 36 21.964 -1.883 -4.013 1.00 0.00 H new ATOM 0 HG23 THR A 36 23.450 -1.162 -4.676 1.00 0.00 H new ATOM 566 N LEU A 37 22.099 -3.084 -1.460 1.00 0.00 N ATOM 567 CA LEU A 37 21.034 -2.531 -0.648 1.00 0.00 C ATOM 568 C LEU A 37 21.530 -2.159 0.741 1.00 0.00 C ATOM 569 O LEU A 37 21.074 -1.193 1.349 1.00 0.00 O ATOM 570 CB LEU A 37 19.913 -3.538 -0.533 1.00 0.00 C ATOM 571 CG LEU A 37 19.218 -3.680 -1.900 1.00 0.00 C ATOM 572 CD1 LEU A 37 18.548 -5.052 -2.006 1.00 0.00 C ATOM 573 CD2 LEU A 37 18.143 -2.595 -2.070 1.00 0.00 C ATOM 0 H LEU A 37 22.018 -4.083 -1.649 1.00 0.00 H new ATOM 0 HA LEU A 37 20.673 -1.624 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 37 20.306 -4.502 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 37 19.195 -3.217 0.222 1.00 0.00 H new ATOM 0 HG LEU A 37 19.973 -3.572 -2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.059 -5.144 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 37 19.301 -5.833 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.806 -5.157 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.661 -2.709 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.397 -2.695 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.607 -1.611 -2.009 1.00 0.00 H new ATOM 585 N LEU A 38 22.453 -2.957 1.234 1.00 0.00 N ATOM 586 CA LEU A 38 23.013 -2.751 2.557 1.00 0.00 C ATOM 587 C LEU A 38 23.644 -1.374 2.651 1.00 0.00 C ATOM 588 O LEU A 38 23.528 -0.700 3.667 1.00 0.00 O ATOM 589 CB LEU A 38 24.079 -3.823 2.817 1.00 0.00 C ATOM 590 CG LEU A 38 24.769 -3.601 4.174 1.00 0.00 C ATOM 591 CD1 LEU A 38 23.900 -4.160 5.301 1.00 0.00 C ATOM 592 CD2 LEU A 38 26.126 -4.306 4.174 1.00 0.00 C ATOM 0 H LEU A 38 22.835 -3.761 0.736 1.00 0.00 H new ATOM 0 HA LEU A 38 22.220 -2.824 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 38 23.618 -4.811 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 38 24.822 -3.802 2.020 1.00 0.00 H new ATOM 0 HG LEU A 38 24.912 -2.532 4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 38 24.397 -3.998 6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 38 22.935 -3.653 5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 38 23.748 -5.228 5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 38 26.617 -4.150 5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 38 25.981 -5.374 4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 38 26.748 -3.897 3.378 1.00 0.00 H new ATOM 604 N GLU A 39 24.332 -0.967 1.609 1.00 0.00 N ATOM 605 CA GLU A 39 24.977 0.331 1.617 1.00 0.00 C ATOM 606 C GLU A 39 23.943 1.434 1.402 1.00 0.00 C ATOM 607 O GLU A 39 24.180 2.590 1.751 1.00 0.00 O ATOM 608 CB GLU A 39 26.063 0.400 0.545 1.00 0.00 C ATOM 609 CG GLU A 39 25.479 -0.046 -0.775 1.00 0.00 C ATOM 610 CD GLU A 39 26.455 0.242 -1.911 1.00 0.00 C ATOM 611 OE1 GLU A 39 27.178 1.219 -1.811 1.00 0.00 O ATOM 612 OE2 GLU A 39 26.463 -0.520 -2.865 1.00 0.00 O ATOM 0 H GLU A 39 24.460 -1.507 0.753 1.00 0.00 H new ATOM 0 HA GLU A 39 25.448 0.478 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 39 26.447 1.417 0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 39 26.904 -0.237 0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 39 25.256 -1.112 -0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 39 24.537 0.471 -0.956 1.00 0.00 H new ATOM 619 N PHE A 40 22.798 1.078 0.808 1.00 0.00 N ATOM 620 CA PHE A 40 21.756 2.063 0.541 1.00 0.00 C ATOM 621 C PHE A 40 21.146 2.609 1.829 1.00 0.00 C ATOM 622 O PHE A 40 21.015 3.822 2.000 1.00 0.00 O ATOM 623 CB PHE A 40 20.665 1.400 -0.321 1.00 0.00 C ATOM 624 CG PHE A 40 20.640 1.982 -1.720 1.00 0.00 C ATOM 625 CD1 PHE A 40 20.485 3.360 -1.895 1.00 0.00 C ATOM 626 CD2 PHE A 40 20.776 1.144 -2.833 1.00 0.00 C ATOM 627 CE1 PHE A 40 20.466 3.904 -3.184 1.00 0.00 C ATOM 628 CE2 PHE A 40 20.758 1.687 -4.123 1.00 0.00 C ATOM 629 CZ PHE A 40 20.602 3.068 -4.298 1.00 0.00 C ATOM 0 H PHE A 40 22.576 0.129 0.509 1.00 0.00 H new ATOM 0 HA PHE A 40 22.200 2.907 0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 40 20.843 0.326 -0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 40 19.692 1.538 0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 40 20.380 4.005 -1.035 1.00 0.00 H new ATOM 0 HD2 PHE A 40 20.895 0.079 -2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 40 20.346 4.969 -3.319 1.00 0.00 H new ATOM 0 HE2 PHE A 40 20.864 1.042 -4.983 1.00 0.00 H new ATOM 0 HZ PHE A 40 20.587 3.488 -5.293 1.00 0.00 H new ATOM 639 N LYS A 41 20.756 1.710 2.718 1.00 0.00 N ATOM 640 CA LYS A 41 20.140 2.120 3.967 1.00 0.00 C ATOM 641 C LYS A 41 21.123 2.914 4.810 1.00 0.00 C ATOM 642 O LYS A 41 20.745 3.849 5.516 1.00 0.00 O ATOM 643 CB LYS A 41 19.650 0.901 4.733 1.00 0.00 C ATOM 644 CG LYS A 41 20.816 -0.073 4.987 1.00 0.00 C ATOM 645 CD LYS A 41 21.108 -0.162 6.494 1.00 0.00 C ATOM 646 CE LYS A 41 22.214 -1.184 6.747 1.00 0.00 C ATOM 647 NZ LYS A 41 21.603 -2.529 6.942 1.00 0.00 N ATOM 0 H LYS A 41 20.854 0.702 2.599 1.00 0.00 H new ATOM 0 HA LYS A 41 19.287 2.759 3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 41 19.212 1.211 5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.864 0.399 4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 41 20.567 -1.060 4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 41 21.705 0.265 4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 41 21.409 0.814 6.874 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.205 -0.449 7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.906 -1.204 5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 41 22.791 -0.902 7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.324 -3.190 7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.827 -2.461 7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.231 -2.876 6.035 1.00 0.00 H new ATOM 661 N SER A 42 22.387 2.534 4.725 1.00 0.00 N ATOM 662 CA SER A 42 23.429 3.214 5.474 1.00 0.00 C ATOM 663 C SER A 42 23.565 4.649 4.980 1.00 0.00 C ATOM 664 O SER A 42 23.729 5.575 5.773 1.00 0.00 O ATOM 665 CB SER A 42 24.752 2.481 5.297 1.00 0.00 C ATOM 666 OG SER A 42 24.707 1.247 6.002 1.00 0.00 O ATOM 0 H SER A 42 22.715 1.761 4.147 1.00 0.00 H new ATOM 0 HA SER A 42 23.163 3.223 6.531 1.00 0.00 H new ATOM 0 HB2 SER A 42 24.942 2.301 4.239 1.00 0.00 H new ATOM 0 HB3 SER A 42 25.573 3.095 5.668 1.00 0.00 H new ATOM 0 HG SER A 42 24.376 0.542 5.407 1.00 0.00 H new ATOM 672 N ALA A 43 23.477 4.827 3.664 1.00 0.00 N ATOM 673 CA ALA A 43 23.572 6.157 3.077 1.00 0.00 C ATOM 674 C ALA A 43 22.328 6.968 3.420 1.00 0.00 C ATOM 675 O ALA A 43 22.411 8.149 3.739 1.00 0.00 O ATOM 676 CB ALA A 43 23.722 6.052 1.558 1.00 0.00 C ATOM 0 H ALA A 43 23.341 4.073 2.991 1.00 0.00 H new ATOM 0 HA ALA A 43 24.449 6.660 3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 43 23.792 7.052 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.625 5.491 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 43 22.855 5.539 1.141 1.00 0.00 H new ATOM 682 N THR A 44 21.176 6.312 3.361 1.00 0.00 N ATOM 683 CA THR A 44 19.910 6.951 3.676 1.00 0.00 C ATOM 684 C THR A 44 19.865 7.393 5.136 1.00 0.00 C ATOM 685 O THR A 44 19.408 8.492 5.447 1.00 0.00 O ATOM 686 CB THR A 44 18.779 5.963 3.374 1.00 0.00 C ATOM 687 OG1 THR A 44 18.483 5.991 1.985 1.00 0.00 O ATOM 688 CG2 THR A 44 17.532 6.292 4.190 1.00 0.00 C ATOM 0 H THR A 44 21.095 5.330 3.096 1.00 0.00 H new ATOM 0 HA THR A 44 19.793 7.846 3.065 1.00 0.00 H new ATOM 0 HB THR A 44 19.106 4.961 3.654 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.761 5.358 1.792 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.745 5.575 3.956 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.768 6.238 5.253 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.191 7.298 3.945 1.00 0.00 H new ATOM 696 N LYS A 45 20.327 6.524 6.021 1.00 0.00 N ATOM 697 CA LYS A 45 20.318 6.826 7.444 1.00 0.00 C ATOM 698 C LYS A 45 21.020 8.147 7.698 1.00 0.00 C ATOM 699 O LYS A 45 20.712 8.847 8.654 1.00 0.00 O ATOM 700 CB LYS A 45 21.021 5.707 8.219 1.00 0.00 C ATOM 701 CG LYS A 45 21.210 6.112 9.708 1.00 0.00 C ATOM 702 CD LYS A 45 22.662 6.544 9.971 1.00 0.00 C ATOM 703 CE LYS A 45 23.550 5.314 10.181 1.00 0.00 C ATOM 704 NZ LYS A 45 24.941 5.759 10.478 1.00 0.00 N ATOM 0 H LYS A 45 20.711 5.610 5.782 1.00 0.00 H new ATOM 0 HA LYS A 45 19.285 6.901 7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 45 20.435 4.790 8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 45 21.990 5.497 7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 45 20.531 6.928 9.958 1.00 0.00 H new ATOM 0 HG3 LYS A 45 20.952 5.273 10.354 1.00 0.00 H new ATOM 0 HD2 LYS A 45 23.033 7.130 9.130 1.00 0.00 H new ATOM 0 HD3 LYS A 45 22.704 7.187 10.850 1.00 0.00 H new ATOM 0 HE2 LYS A 45 23.166 4.709 11.002 1.00 0.00 H new ATOM 0 HE3 LYS A 45 23.539 4.686 9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 25.548 4.927 10.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 25.304 6.319 9.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 24.943 6.342 11.340 1.00 0.00 H new ATOM 718 N SER A 46 21.969 8.480 6.843 1.00 0.00 N ATOM 719 CA SER A 46 22.706 9.724 6.995 1.00 0.00 C ATOM 720 C SER A 46 21.869 10.925 6.533 1.00 0.00 C ATOM 721 O SER A 46 22.027 12.033 7.046 1.00 0.00 O ATOM 722 CB SER A 46 24.008 9.643 6.204 1.00 0.00 C ATOM 723 OG SER A 46 24.996 8.993 6.992 1.00 0.00 O ATOM 0 H SER A 46 22.247 7.913 6.042 1.00 0.00 H new ATOM 0 HA SER A 46 22.933 9.868 8.051 1.00 0.00 H new ATOM 0 HB2 SER A 46 23.849 9.096 5.275 1.00 0.00 H new ATOM 0 HB3 SER A 46 24.344 10.643 5.931 1.00 0.00 H new ATOM 0 HG SER A 46 25.834 8.938 6.486 1.00 0.00 H new ATOM 729 N LEU A 47 20.988 10.700 5.558 1.00 0.00 N ATOM 730 CA LEU A 47 20.145 11.770 5.034 1.00 0.00 C ATOM 731 C LEU A 47 19.103 12.202 6.058 1.00 0.00 C ATOM 732 O LEU A 47 18.761 13.380 6.152 1.00 0.00 O ATOM 733 CB LEU A 47 19.442 11.298 3.770 1.00 0.00 C ATOM 734 CG LEU A 47 20.465 10.748 2.772 1.00 0.00 C ATOM 735 CD1 LEU A 47 19.731 10.227 1.533 1.00 0.00 C ATOM 736 CD2 LEU A 47 21.449 11.858 2.362 1.00 0.00 C ATOM 0 H LEU A 47 20.841 9.791 5.118 1.00 0.00 H new ATOM 0 HA LEU A 47 20.784 12.624 4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 47 18.712 10.527 4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 47 18.892 12.125 3.320 1.00 0.00 H new ATOM 0 HG LEU A 47 21.023 9.935 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 47 20.455 9.834 0.819 1.00 0.00 H new ATOM 0 HD12 LEU A 47 19.042 9.434 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.172 11.041 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 47 22.173 11.458 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 47 20.900 12.678 1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 47 21.972 12.225 3.245 1.00 0.00 H new ATOM 748 N VAL A 48 18.594 11.238 6.814 1.00 0.00 N ATOM 749 CA VAL A 48 17.580 11.516 7.824 1.00 0.00 C ATOM 750 C VAL A 48 17.906 12.808 8.575 1.00 0.00 C ATOM 751 O VAL A 48 18.993 12.957 9.133 1.00 0.00 O ATOM 752 CB VAL A 48 17.492 10.344 8.816 1.00 0.00 C ATOM 753 CG1 VAL A 48 17.414 9.022 8.046 1.00 0.00 C ATOM 754 CG2 VAL A 48 18.720 10.347 9.748 1.00 0.00 C ATOM 0 H VAL A 48 18.866 10.257 6.747 1.00 0.00 H new ATOM 0 HA VAL A 48 16.619 11.638 7.324 1.00 0.00 H new ATOM 0 HB VAL A 48 16.594 10.455 9.424 1.00 0.00 H new ATOM 0 HG11 VAL A 48 17.352 8.193 8.751 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.530 9.024 7.409 1.00 0.00 H new ATOM 0 HG13 VAL A 48 18.305 8.907 7.429 1.00 0.00 H new ATOM 0 HG21 VAL A 48 18.648 9.513 10.447 1.00 0.00 H new ATOM 0 HG22 VAL A 48 19.628 10.245 9.154 1.00 0.00 H new ATOM 0 HG23 VAL A 48 18.753 11.284 10.303 1.00 0.00 H new ATOM 764 N SER A 49 16.962 13.743 8.580 1.00 0.00 N ATOM 765 CA SER A 49 17.164 15.021 9.261 1.00 0.00 C ATOM 766 C SER A 49 18.586 15.535 9.034 1.00 0.00 C ATOM 767 O SER A 49 19.324 15.792 9.985 1.00 0.00 O ATOM 768 CB SER A 49 16.916 14.855 10.760 1.00 0.00 C ATOM 769 OG SER A 49 15.647 14.246 10.960 1.00 0.00 O ATOM 0 H SER A 49 16.055 13.643 8.124 1.00 0.00 H new ATOM 0 HA SER A 49 16.459 15.744 8.851 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.701 14.243 11.205 1.00 0.00 H new ATOM 0 HB3 SER A 49 16.949 15.825 11.256 1.00 0.00 H new ATOM 0 HG SER A 49 15.485 14.136 11.920 1.00 0.00 H new ATOM 775 N GLY A 50 18.963 15.670 7.766 1.00 0.00 N ATOM 776 CA GLY A 50 20.300 16.142 7.420 1.00 0.00 C ATOM 777 C GLY A 50 20.460 17.626 7.731 1.00 0.00 C ATOM 778 O GLY A 50 20.822 18.415 6.857 1.00 0.00 O ATOM 0 H GLY A 50 18.366 15.461 6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 50 21.045 15.570 7.973 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.487 15.968 6.360 1.00 0.00 H new ATOM 782 N ASP A 51 20.189 17.999 8.977 1.00 0.00 N ATOM 783 CA ASP A 51 20.311 19.393 9.396 1.00 0.00 C ATOM 784 C ASP A 51 19.687 20.321 8.362 1.00 0.00 C ATOM 785 O ASP A 51 20.197 21.410 8.099 1.00 0.00 O ATOM 786 CB ASP A 51 21.782 19.755 9.604 1.00 0.00 C ATOM 787 CG ASP A 51 22.508 19.828 8.263 1.00 0.00 C ATOM 788 OD1 ASP A 51 22.976 18.797 7.809 1.00 0.00 O ATOM 789 OD2 ASP A 51 22.585 20.913 7.711 1.00 0.00 O ATOM 0 H ASP A 51 19.885 17.360 9.712 1.00 0.00 H new ATOM 0 HA ASP A 51 19.778 19.516 10.339 1.00 0.00 H new ATOM 0 HB2 ASP A 51 21.858 20.713 10.118 1.00 0.00 H new ATOM 0 HB3 ASP A 51 22.259 19.012 10.243 1.00 0.00 H new ATOM 794 N GLU A 52 18.579 19.879 7.781 1.00 0.00 N ATOM 795 CA GLU A 52 17.884 20.664 6.779 1.00 0.00 C ATOM 796 C GLU A 52 18.873 21.234 5.765 1.00 0.00 C ATOM 797 O GLU A 52 19.279 20.494 4.884 1.00 0.00 O ATOM 798 CB GLU A 52 17.119 21.800 7.457 1.00 0.00 C ATOM 799 CG GLU A 52 16.275 22.531 6.417 1.00 0.00 C ATOM 800 CD GLU A 52 15.507 23.673 7.074 1.00 0.00 C ATOM 801 OE1 GLU A 52 15.427 23.684 8.291 1.00 0.00 O ATOM 802 OE2 GLU A 52 15.010 24.519 6.349 1.00 0.00 O ATOM 0 H GLU A 52 18.145 18.980 7.989 1.00 0.00 H new ATOM 0 HA GLU A 52 17.182 20.019 6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.481 21.403 8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.816 22.493 7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.916 22.921 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.578 21.836 5.949 1.00 0.00 H new TER 809 GLU A 52