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+ -117:sc= -3.59! (180deg=-0.427) USER MOD Set 1.2: A 4 ASN : amide:sc= -5.43! K(o=-9!,f=-0.57) USER MOD Single : A 1 MET CE :methyl 154:sc= -0.157 (180deg=-1.2) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -17:sc= 1.02 USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.106) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= -0.741 (180deg=-0.797) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 81:sc= 0.00231 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 -9.969 -14.868 -17.862 1.00 0.00 N ATOM 2 CA MET A 1 -9.195 -15.780 -18.749 1.00 0.00 C ATOM 3 C MET A 1 -7.860 -16.118 -18.094 1.00 0.00 C ATOM 4 O MET A 1 -7.819 -16.705 -17.012 1.00 0.00 O ATOM 5 CB MET A 1 -8.966 -15.099 -20.092 1.00 0.00 C ATOM 6 CG MET A 1 -10.280 -15.005 -20.847 1.00 0.00 C ATOM 7 SD MET A 1 -10.028 -14.102 -22.397 1.00 0.00 S ATOM 8 CE MET A 1 -8.951 -15.313 -23.206 1.00 0.00 C ATOM 0 H1 MET A 1 -10.847 -15.338 -17.562 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.399 -14.632 -17.025 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.202 -13.996 -18.379 1.00 0.00 H new ATOM 0 HA MET A 1 -9.753 -16.703 -18.907 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.551 -14.103 -19.940 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.238 -15.662 -20.677 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.664 -16.004 -21.055 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.026 -14.497 -20.236 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.039 -15.213 -24.288 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.917 -15.137 -22.908 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.248 -16.319 -22.909 1.00 0.00 H new ATOM 20 N PHE A 2 -6.771 -15.745 -18.756 1.00 0.00 N ATOM 21 CA PHE A 2 -5.443 -16.008 -18.238 1.00 0.00 C ATOM 22 C PHE A 2 -5.091 -15.013 -17.147 1.00 0.00 C ATOM 23 O PHE A 2 -4.002 -15.058 -16.575 1.00 0.00 O ATOM 24 CB PHE A 2 -4.434 -15.905 -19.364 1.00 0.00 C ATOM 25 CG PHE A 2 -4.643 -17.045 -20.330 1.00 0.00 C ATOM 26 CD1 PHE A 2 -5.535 -16.906 -21.400 1.00 0.00 C ATOM 27 CD2 PHE A 2 -3.946 -18.245 -20.150 1.00 0.00 C ATOM 28 CE1 PHE A 2 -5.728 -17.968 -22.292 1.00 0.00 C ATOM 29 CE2 PHE A 2 -4.140 -19.308 -21.042 1.00 0.00 C ATOM 30 CZ PHE A 2 -5.030 -19.169 -22.113 1.00 0.00 C ATOM 0 H PHE A 2 -6.786 -15.259 -19.653 1.00 0.00 H new ATOM 0 HA PHE A 2 -5.423 -17.012 -17.814 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -4.545 -14.951 -19.880 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -3.421 -15.935 -18.963 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -6.074 -15.980 -21.537 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -3.259 -18.352 -19.324 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -6.415 -17.861 -23.118 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -3.603 -20.235 -20.903 1.00 0.00 H new ATOM 0 HZ PHE A 2 -5.179 -19.988 -22.801 1.00 0.00 H new ATOM 40 N SER A 3 -6.022 -14.107 -16.865 1.00 0.00 N ATOM 41 CA SER A 3 -5.812 -13.090 -15.837 1.00 0.00 C ATOM 42 C SER A 3 -6.537 -13.468 -14.546 1.00 0.00 C ATOM 43 O SER A 3 -6.170 -13.014 -13.463 1.00 0.00 O ATOM 44 CB SER A 3 -6.309 -11.741 -16.352 1.00 0.00 C ATOM 45 OG SER A 3 -5.254 -11.088 -17.044 1.00 0.00 O ATOM 0 H SER A 3 -6.927 -14.055 -17.332 1.00 0.00 H new ATOM 0 HA SER A 3 -4.747 -13.022 -15.616 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.162 -11.883 -17.016 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.651 -11.125 -15.521 1.00 0.00 H new ATOM 0 HG SER A 3 -5.569 -10.222 -17.378 1.00 0.00 H new ATOM 51 N ASN A 4 -7.567 -14.298 -14.672 1.00 0.00 N ATOM 52 CA ASN A 4 -8.337 -14.725 -13.509 1.00 0.00 C ATOM 53 C ASN A 4 -7.584 -15.783 -12.726 1.00 0.00 C ATOM 54 O ASN A 4 -7.927 -16.081 -11.582 1.00 0.00 O ATOM 55 CB ASN A 4 -9.698 -15.270 -13.944 1.00 0.00 C ATOM 56 CG ASN A 4 -10.647 -14.120 -14.266 1.00 0.00 C ATOM 57 OD1 ASN A 4 -11.046 -13.376 -13.371 1.00 0.00 O ATOM 58 ND2 ASN A 4 -11.031 -13.930 -15.495 1.00 0.00 N ATOM 0 H ASN A 4 -7.886 -14.686 -15.560 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.490 -13.859 -12.866 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.579 -15.909 -14.819 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.120 -15.889 -13.152 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.665 -13.162 -15.718 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.698 -14.549 -16.235 1.00 0.00 H new ATOM 65 N ILE A 5 -6.563 -16.355 -13.341 1.00 0.00 N ATOM 66 CA ILE A 5 -5.792 -17.374 -12.672 1.00 0.00 C ATOM 67 C ILE A 5 -5.173 -16.821 -11.396 1.00 0.00 C ATOM 68 O ILE A 5 -5.437 -17.325 -10.309 1.00 0.00 O ATOM 69 CB ILE A 5 -4.712 -17.920 -13.618 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.879 -16.762 -14.200 1.00 0.00 C ATOM 71 CG2 ILE A 5 -5.390 -18.688 -14.757 1.00 0.00 C ATOM 72 CD1 ILE A 5 -3.078 -17.229 -15.428 1.00 0.00 C ATOM 0 H ILE A 5 -6.256 -16.132 -14.288 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.453 -18.195 -12.394 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.049 -18.584 -13.064 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.537 -15.940 -14.481 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.198 -16.380 -13.440 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.631 -19.080 -15.434 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.969 -19.514 -14.345 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.053 -18.017 -15.304 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.497 -16.395 -15.822 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.404 -18.035 -15.138 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.764 -17.588 -16.195 1.00 0.00 H new ATOM 84 N GLY A 6 -4.373 -15.768 -11.525 1.00 0.00 N ATOM 85 CA GLY A 6 -3.722 -15.153 -10.369 1.00 0.00 C ATOM 86 C GLY A 6 -2.292 -15.666 -10.235 1.00 0.00 C ATOM 87 O GLY A 6 -1.590 -15.843 -11.235 1.00 0.00 O ATOM 0 H GLY A 6 -4.159 -15.321 -12.417 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.718 -14.069 -10.479 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.284 -15.380 -9.463 1.00 0.00 H new ATOM 91 N ILE A 7 -1.860 -15.923 -9.002 1.00 0.00 N ATOM 92 CA ILE A 7 -0.513 -16.441 -8.772 1.00 0.00 C ATOM 93 C ILE A 7 -0.312 -17.719 -9.567 1.00 0.00 C ATOM 94 O ILE A 7 0.629 -17.777 -10.345 1.00 0.00 O ATOM 95 CB ILE A 7 -0.241 -16.616 -7.259 1.00 0.00 C ATOM 96 CG1 ILE A 7 0.436 -15.346 -6.707 1.00 0.00 C ATOM 97 CG2 ILE A 7 0.691 -17.807 -6.990 1.00 0.00 C ATOM 98 CD1 ILE A 7 -0.274 -14.077 -7.213 1.00 0.00 C ATOM 0 H ILE A 7 -2.414 -15.783 -8.157 1.00 0.00 H new ATOM 0 HA ILE A 7 0.223 -15.721 -9.128 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.199 -16.794 -6.770 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.420 -15.366 -5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.483 -15.327 -7.010 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.861 -17.901 -5.917 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.231 -18.721 -7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.643 -17.645 -7.495 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.224 -13.196 -6.809 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.235 -14.048 -8.302 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.314 -14.088 -6.887 1.00 0.00 H new ATOM 110 N PRO A 8 -1.165 -18.714 -9.452 1.00 0.00 N ATOM 111 CA PRO A 8 -1.054 -19.949 -10.287 1.00 0.00 C ATOM 112 C PRO A 8 -0.495 -19.626 -11.688 1.00 0.00 C ATOM 113 O PRO A 8 0.203 -20.433 -12.294 1.00 0.00 O ATOM 114 CB PRO A 8 -2.526 -20.424 -10.378 1.00 0.00 C ATOM 115 CG PRO A 8 -3.295 -19.616 -9.354 1.00 0.00 C ATOM 116 CD PRO A 8 -2.291 -18.837 -8.524 1.00 0.00 C ATOM 0 HA PRO A 8 -0.377 -20.694 -9.869 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.925 -20.264 -11.380 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.604 -21.491 -10.170 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.990 -18.937 -9.848 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.888 -20.272 -8.718 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.679 -17.864 -8.221 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.014 -19.368 -7.613 1.00 0.00 H new ATOM 124 N GLY A 9 -0.823 -18.430 -12.185 1.00 0.00 N ATOM 125 CA GLY A 9 -0.357 -17.992 -13.499 1.00 0.00 C ATOM 126 C GLY A 9 1.077 -17.482 -13.431 1.00 0.00 C ATOM 127 O GLY A 9 1.858 -17.662 -14.363 1.00 0.00 O ATOM 0 H GLY A 9 -1.408 -17.751 -11.697 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.418 -18.820 -14.205 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.009 -17.204 -13.875 1.00 0.00 H new ATOM 131 N LEU A 10 1.408 -16.837 -12.314 1.00 0.00 N ATOM 132 CA LEU A 10 2.735 -16.285 -12.105 1.00 0.00 C ATOM 133 C LEU A 10 3.809 -17.373 -12.124 1.00 0.00 C ATOM 134 O LEU A 10 4.898 -17.168 -12.662 1.00 0.00 O ATOM 135 CB LEU A 10 2.763 -15.548 -10.768 1.00 0.00 C ATOM 136 CG LEU A 10 4.135 -14.851 -10.553 1.00 0.00 C ATOM 137 CD1 LEU A 10 3.923 -13.510 -9.840 1.00 0.00 C ATOM 138 CD2 LEU A 10 5.048 -15.727 -9.680 1.00 0.00 C ATOM 0 H LEU A 10 0.765 -16.686 -11.536 1.00 0.00 H new ATOM 0 HA LEU A 10 2.954 -15.595 -12.920 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.965 -14.807 -10.739 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.575 -16.250 -9.956 1.00 0.00 H new ATOM 0 HG LEU A 10 4.600 -14.694 -11.526 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.886 -13.022 -9.690 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.283 -12.871 -10.449 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.449 -13.683 -8.874 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.006 -15.226 -9.538 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.577 -15.891 -8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.210 -16.686 -10.171 1.00 0.00 H new ATOM 150 N ILE A 11 3.508 -18.521 -11.523 1.00 0.00 N ATOM 151 CA ILE A 11 4.471 -19.619 -11.462 1.00 0.00 C ATOM 152 C ILE A 11 4.854 -20.069 -12.863 1.00 0.00 C ATOM 153 O ILE A 11 6.027 -20.270 -13.137 1.00 0.00 O ATOM 154 CB ILE A 11 3.870 -20.798 -10.661 1.00 0.00 C ATOM 155 CG1 ILE A 11 3.996 -20.537 -9.155 1.00 0.00 C ATOM 156 CG2 ILE A 11 4.598 -22.106 -10.991 1.00 0.00 C ATOM 157 CD1 ILE A 11 3.495 -19.138 -8.819 1.00 0.00 C ATOM 0 H ILE A 11 2.613 -18.715 -11.074 1.00 0.00 H new ATOM 0 HA ILE A 11 5.372 -19.271 -10.957 1.00 0.00 H new ATOM 0 HB ILE A 11 2.819 -20.886 -10.938 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.422 -21.279 -8.601 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.036 -20.643 -8.846 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.159 -22.922 -10.417 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.500 -22.318 -12.056 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.653 -22.009 -10.736 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.590 -18.965 -7.747 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.088 -18.400 -9.359 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.449 -19.047 -9.110 1.00 0.00 H new ATOM 169 N LEU A 12 3.883 -20.214 -13.742 1.00 0.00 N ATOM 170 CA LEU A 12 4.174 -20.647 -15.094 1.00 0.00 C ATOM 171 C LEU A 12 5.136 -19.670 -15.749 1.00 0.00 C ATOM 172 O LEU A 12 6.116 -20.081 -16.362 1.00 0.00 O ATOM 173 CB LEU A 12 2.873 -20.708 -15.886 1.00 0.00 C ATOM 174 CG LEU A 12 3.127 -21.249 -17.297 1.00 0.00 C ATOM 175 CD1 LEU A 12 3.611 -22.708 -17.228 1.00 0.00 C ATOM 176 CD2 LEU A 12 1.819 -21.169 -18.091 1.00 0.00 C ATOM 0 H LEU A 12 2.897 -20.041 -13.548 1.00 0.00 H new ATOM 0 HA LEU A 12 4.635 -21.634 -15.075 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.156 -21.346 -15.369 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.430 -19.714 -15.946 1.00 0.00 H new ATOM 0 HG LEU A 12 3.898 -20.655 -17.787 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.788 -23.081 -18.237 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.537 -22.757 -16.655 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.851 -23.321 -16.743 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.981 -21.550 -19.099 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.055 -21.768 -17.595 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.489 -20.132 -18.144 1.00 0.00 H new ATOM 188 N ILE A 13 4.872 -18.381 -15.579 1.00 0.00 N ATOM 189 CA ILE A 13 5.740 -17.342 -16.126 1.00 0.00 C ATOM 190 C ILE A 13 7.094 -17.372 -15.441 1.00 0.00 C ATOM 191 O ILE A 13 8.132 -17.194 -16.076 1.00 0.00 O ATOM 192 CB ILE A 13 5.094 -15.958 -15.930 1.00 0.00 C ATOM 193 CG1 ILE A 13 4.026 -15.737 -17.010 1.00 0.00 C ATOM 194 CG2 ILE A 13 6.162 -14.851 -16.017 1.00 0.00 C ATOM 195 CD1 ILE A 13 3.201 -14.495 -16.673 1.00 0.00 C ATOM 0 H ILE A 13 4.064 -18.028 -15.067 1.00 0.00 H new ATOM 0 HA ILE A 13 5.876 -17.529 -17.191 1.00 0.00 H new ATOM 0 HB ILE A 13 4.631 -15.918 -14.944 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.500 -15.617 -17.984 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.376 -16.610 -17.077 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.690 -13.878 -15.877 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.911 -15.006 -15.241 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.641 -14.884 -16.995 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.444 -14.341 -17.442 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.715 -14.632 -15.707 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.855 -13.624 -16.629 1.00 0.00 H new ATOM 207 N PHE A 14 7.066 -17.545 -14.136 1.00 0.00 N ATOM 208 CA PHE A 14 8.283 -17.537 -13.365 1.00 0.00 C ATOM 209 C PHE A 14 9.239 -18.599 -13.888 1.00 0.00 C ATOM 210 O PHE A 14 10.441 -18.368 -14.003 1.00 0.00 O ATOM 211 CB PHE A 14 7.947 -17.780 -11.895 1.00 0.00 C ATOM 212 CG PHE A 14 9.013 -17.188 -10.999 1.00 0.00 C ATOM 213 CD1 PHE A 14 9.228 -15.805 -10.997 1.00 0.00 C ATOM 214 CD2 PHE A 14 9.784 -18.017 -10.175 1.00 0.00 C ATOM 215 CE1 PHE A 14 10.214 -15.249 -10.174 1.00 0.00 C ATOM 216 CE2 PHE A 14 10.771 -17.461 -9.352 1.00 0.00 C ATOM 217 CZ PHE A 14 10.986 -16.078 -9.351 1.00 0.00 C ATOM 0 H PHE A 14 6.216 -17.692 -13.592 1.00 0.00 H new ATOM 0 HA PHE A 14 8.773 -16.568 -13.459 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.979 -17.337 -11.660 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.861 -18.850 -11.708 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.632 -15.166 -11.632 1.00 0.00 H new ATOM 0 HD2 PHE A 14 9.618 -19.084 -10.174 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.379 -14.182 -10.174 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.367 -18.100 -8.717 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.747 -15.650 -8.715 1.00 0.00 H new ATOM 227 N VAL A 15 8.687 -19.761 -14.195 1.00 0.00 N ATOM 228 CA VAL A 15 9.481 -20.872 -14.702 1.00 0.00 C ATOM 229 C VAL A 15 10.221 -20.451 -15.964 1.00 0.00 C ATOM 230 O VAL A 15 11.395 -20.773 -16.147 1.00 0.00 O ATOM 231 CB VAL A 15 8.565 -22.054 -15.019 1.00 0.00 C ATOM 232 CG1 VAL A 15 9.429 -23.283 -15.339 1.00 0.00 C ATOM 233 CG2 VAL A 15 7.629 -22.336 -13.814 1.00 0.00 C ATOM 0 H VAL A 15 7.691 -19.961 -14.102 1.00 0.00 H new ATOM 0 HA VAL A 15 10.207 -21.165 -13.943 1.00 0.00 H new ATOM 0 HB VAL A 15 7.943 -21.822 -15.883 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.784 -24.132 -15.567 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.063 -23.068 -16.199 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.054 -23.522 -14.479 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.979 -23.180 -14.048 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.229 -22.572 -12.935 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.021 -21.455 -13.612 1.00 0.00 H new ATOM 243 N ILE A 16 9.525 -19.726 -16.829 1.00 0.00 N ATOM 244 CA ILE A 16 10.130 -19.257 -18.080 1.00 0.00 C ATOM 245 C ILE A 16 11.427 -18.524 -17.775 1.00 0.00 C ATOM 246 O ILE A 16 12.389 -18.580 -18.541 1.00 0.00 O ATOM 247 CB ILE A 16 9.181 -18.316 -18.817 1.00 0.00 C ATOM 248 CG1 ILE A 16 7.806 -18.973 -18.924 1.00 0.00 C ATOM 249 CG2 ILE A 16 9.727 -18.016 -20.215 1.00 0.00 C ATOM 250 CD1 ILE A 16 7.910 -20.357 -19.579 1.00 0.00 C ATOM 0 H ILE A 16 8.552 -19.449 -16.696 1.00 0.00 H new ATOM 0 HA ILE A 16 10.331 -20.121 -18.713 1.00 0.00 H new ATOM 0 HB ILE A 16 9.095 -17.380 -18.266 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.366 -19.068 -17.931 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.140 -18.339 -19.509 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.045 -17.344 -20.736 1.00 0.00 H new ATOM 0 HG22 ILE A 16 10.706 -17.545 -20.130 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.819 -18.946 -20.777 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.918 -20.804 -19.644 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.328 -20.255 -20.580 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.558 -20.996 -18.979 1.00 0.00 H new ATOM 262 N ALA A 17 11.441 -17.840 -16.647 1.00 0.00 N ATOM 263 CA ALA A 17 12.623 -17.104 -16.222 1.00 0.00 C ATOM 264 C ALA A 17 13.670 -18.072 -15.650 1.00 0.00 C ATOM 265 O ALA A 17 14.871 -17.841 -15.755 1.00 0.00 O ATOM 266 CB ALA A 17 12.220 -16.050 -15.171 1.00 0.00 C ATOM 0 H ALA A 17 10.649 -17.777 -16.007 1.00 0.00 H new ATOM 0 HA ALA A 17 13.064 -16.595 -17.079 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.104 -15.498 -14.852 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.498 -15.359 -15.607 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.772 -16.547 -14.310 1.00 0.00 H new ATOM 272 N LEU A 18 13.199 -19.146 -15.035 1.00 0.00 N ATOM 273 CA LEU A 18 14.086 -20.133 -14.438 1.00 0.00 C ATOM 274 C LEU A 18 14.845 -20.926 -15.489 1.00 0.00 C ATOM 275 O LEU A 18 16.039 -21.183 -15.336 1.00 0.00 O ATOM 276 CB LEU A 18 13.263 -21.084 -13.570 1.00 0.00 C ATOM 277 CG LEU A 18 12.570 -20.352 -12.397 1.00 0.00 C ATOM 278 CD1 LEU A 18 12.254 -21.361 -11.306 1.00 0.00 C ATOM 279 CD2 LEU A 18 13.454 -19.264 -11.803 1.00 0.00 C ATOM 0 H LEU A 18 12.206 -19.357 -14.936 1.00 0.00 H new ATOM 0 HA LEU A 18 14.822 -19.604 -13.832 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.509 -21.575 -14.186 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.911 -21.866 -13.176 1.00 0.00 H new ATOM 0 HG LEU A 18 11.664 -19.885 -12.783 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.765 -20.855 -10.473 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.592 -22.131 -11.703 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.178 -21.822 -10.958 1.00 0.00 H new ATOM 0 HD21 LEU A 18 12.928 -18.776 -10.982 1.00 0.00 H new ATOM 0 HD22 LEU A 18 14.377 -19.708 -11.430 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.691 -18.528 -12.571 1.00 0.00 H new ATOM 291 N ILE A 19 14.166 -21.313 -16.546 1.00 0.00 N ATOM 292 CA ILE A 19 14.823 -22.078 -17.591 1.00 0.00 C ATOM 293 C ILE A 19 16.000 -21.283 -18.145 1.00 0.00 C ATOM 294 O ILE A 19 17.083 -21.823 -18.370 1.00 0.00 O ATOM 295 CB ILE A 19 13.817 -22.428 -18.689 1.00 0.00 C ATOM 296 CG1 ILE A 19 14.535 -22.998 -19.909 1.00 0.00 C ATOM 297 CG2 ILE A 19 13.030 -21.188 -19.088 1.00 0.00 C ATOM 298 CD1 ILE A 19 13.497 -23.602 -20.853 1.00 0.00 C ATOM 0 H ILE A 19 13.178 -21.117 -16.707 1.00 0.00 H new ATOM 0 HA ILE A 19 15.208 -23.011 -17.179 1.00 0.00 H new ATOM 0 HB ILE A 19 13.130 -23.181 -18.303 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.096 -22.214 -20.417 1.00 0.00 H new ATOM 0 HG13 ILE A 19 15.254 -23.758 -19.603 1.00 0.00 H new ATOM 0 HG21 ILE A 19 12.316 -21.446 -19.870 1.00 0.00 H new ATOM 0 HG22 ILE A 19 12.494 -20.802 -18.221 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.715 -20.426 -19.459 1.00 0.00 H new ATOM 0 HD11 ILE A 19 13.998 -24.013 -21.730 1.00 0.00 H new ATOM 0 HD12 ILE A 19 12.956 -24.396 -20.339 1.00 0.00 H new ATOM 0 HD13 ILE A 19 12.796 -22.828 -21.165 1.00 0.00 H new ATOM 310 N ILE A 20 15.783 -19.989 -18.325 1.00 0.00 N ATOM 311 CA ILE A 20 16.825 -19.098 -18.810 1.00 0.00 C ATOM 312 C ILE A 20 17.768 -18.721 -17.661 1.00 0.00 C ATOM 313 O ILE A 20 18.978 -18.932 -17.756 1.00 0.00 O ATOM 314 CB ILE A 20 16.193 -17.859 -19.453 1.00 0.00 C ATOM 315 CG1 ILE A 20 17.291 -16.873 -19.883 1.00 0.00 C ATOM 316 CG2 ILE A 20 15.214 -17.192 -18.491 1.00 0.00 C ATOM 317 CD1 ILE A 20 16.676 -15.514 -20.154 1.00 0.00 C ATOM 0 H ILE A 20 14.890 -19.531 -18.141 1.00 0.00 H new ATOM 0 HA ILE A 20 17.416 -19.606 -19.572 1.00 0.00 H new ATOM 0 HB ILE A 20 15.636 -18.169 -20.337 1.00 0.00 H new ATOM 0 HG12 ILE A 20 18.047 -16.792 -19.102 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.794 -17.241 -20.777 1.00 0.00 H new ATOM 0 HG21 ILE A 20 14.777 -16.315 -18.967 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.423 -17.896 -18.231 1.00 0.00 H new ATOM 0 HG23 ILE A 20 15.742 -16.889 -17.587 1.00 0.00 H new ATOM 0 HD11 ILE A 20 17.456 -14.816 -20.459 1.00 0.00 H new ATOM 0 HD12 ILE A 20 15.936 -15.602 -20.950 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.193 -15.146 -19.249 1.00 0.00 H new ATOM 329 N PHE A 21 17.220 -18.156 -16.584 1.00 0.00 N ATOM 330 CA PHE A 21 18.042 -17.750 -15.447 1.00 0.00 C ATOM 331 C PHE A 21 18.414 -18.942 -14.564 1.00 0.00 C ATOM 332 O PHE A 21 19.572 -19.362 -14.550 1.00 0.00 O ATOM 333 CB PHE A 21 17.325 -16.683 -14.614 1.00 0.00 C ATOM 334 CG PHE A 21 16.957 -15.501 -15.494 1.00 0.00 C ATOM 335 CD1 PHE A 21 17.952 -14.798 -16.198 1.00 0.00 C ATOM 336 CD2 PHE A 21 15.617 -15.105 -15.611 1.00 0.00 C ATOM 337 CE1 PHE A 21 17.603 -13.715 -17.012 1.00 0.00 C ATOM 338 CE2 PHE A 21 15.273 -14.020 -16.424 1.00 0.00 C ATOM 339 CZ PHE A 21 16.264 -13.326 -17.126 1.00 0.00 C ATOM 0 H PHE A 21 16.223 -17.971 -16.477 1.00 0.00 H new ATOM 0 HA PHE A 21 18.963 -17.328 -15.848 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.427 -17.105 -14.162 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.968 -16.354 -13.798 1.00 0.00 H new ATOM 0 HD1 PHE A 21 18.987 -15.095 -16.110 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.849 -15.639 -15.072 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.368 -13.179 -17.553 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.240 -13.717 -16.510 1.00 0.00 H new ATOM 0 HZ PHE A 21 15.996 -12.490 -17.756 1.00 0.00 H new ATOM 349 N GLY A 22 17.441 -19.492 -13.824 1.00 0.00 N ATOM 350 CA GLY A 22 17.705 -20.633 -12.945 1.00 0.00 C ATOM 351 C GLY A 22 17.355 -20.287 -11.493 1.00 0.00 C ATOM 352 O GLY A 22 17.550 -19.151 -11.062 1.00 0.00 O ATOM 0 H GLY A 22 16.474 -19.167 -13.818 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.120 -21.493 -13.271 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.755 -20.917 -13.014 1.00 0.00 H new ATOM 356 N PRO A 23 16.851 -21.231 -10.734 1.00 0.00 N ATOM 357 CA PRO A 23 16.478 -21.001 -9.306 1.00 0.00 C ATOM 358 C PRO A 23 17.707 -20.781 -8.424 1.00 0.00 C ATOM 359 O PRO A 23 17.599 -20.275 -7.309 1.00 0.00 O ATOM 360 CB PRO A 23 15.720 -22.277 -8.917 1.00 0.00 C ATOM 361 CG PRO A 23 16.259 -23.325 -9.830 1.00 0.00 C ATOM 362 CD PRO A 23 16.580 -22.620 -11.142 1.00 0.00 C ATOM 0 HA PRO A 23 15.879 -20.100 -9.172 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.889 -22.536 -7.872 1.00 0.00 H new ATOM 0 HB3 PRO A 23 14.645 -22.154 -9.045 1.00 0.00 H new ATOM 0 HG2 PRO A 23 17.151 -23.788 -9.408 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.530 -24.120 -9.984 1.00 0.00 H new ATOM 0 HD2 PRO A 23 17.442 -23.068 -11.637 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.746 -22.677 -11.842 1.00 0.00 H new ATOM 370 N SER A 24 18.875 -21.171 -8.933 1.00 0.00 N ATOM 371 CA SER A 24 20.125 -21.013 -8.189 1.00 0.00 C ATOM 372 C SER A 24 20.813 -19.707 -8.565 1.00 0.00 C ATOM 373 O SER A 24 21.912 -19.416 -8.091 1.00 0.00 O ATOM 374 CB SER A 24 21.059 -22.188 -8.477 1.00 0.00 C ATOM 375 OG SER A 24 22.276 -22.004 -7.764 1.00 0.00 O ATOM 0 H SER A 24 18.982 -21.597 -9.854 1.00 0.00 H new ATOM 0 HA SER A 24 19.890 -20.991 -7.125 1.00 0.00 H new ATOM 0 HB2 SER A 24 20.587 -23.124 -8.179 1.00 0.00 H new ATOM 0 HB3 SER A 24 21.257 -22.257 -9.547 1.00 0.00 H new ATOM 0 HG SER A 24 22.352 -21.068 -7.483 1.00 0.00 H new ATOM 381 N LYS A 25 20.160 -18.918 -9.420 1.00 0.00 N ATOM 382 CA LYS A 25 20.704 -17.644 -9.860 1.00 0.00 C ATOM 383 C LYS A 25 20.031 -16.474 -9.152 1.00 0.00 C ATOM 384 O LYS A 25 20.671 -15.461 -8.874 1.00 0.00 O ATOM 385 CB LYS A 25 20.503 -17.512 -11.365 1.00 0.00 C ATOM 386 CG LYS A 25 21.392 -16.389 -11.900 1.00 0.00 C ATOM 387 CD LYS A 25 22.838 -16.904 -12.129 1.00 0.00 C ATOM 388 CE LYS A 25 23.846 -15.854 -11.659 1.00 0.00 C ATOM 389 NZ LYS A 25 23.704 -14.623 -12.488 1.00 0.00 N ATOM 0 H LYS A 25 19.250 -19.146 -9.820 1.00 0.00 H new ATOM 0 HA LYS A 25 21.765 -17.619 -9.613 1.00 0.00 H new ATOM 0 HB2 LYS A 25 20.748 -18.452 -11.860 1.00 0.00 H new ATOM 0 HB3 LYS A 25 19.457 -17.299 -11.586 1.00 0.00 H new ATOM 0 HG2 LYS A 25 20.983 -16.008 -12.836 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.403 -15.558 -11.195 1.00 0.00 H new ATOM 0 HD2 LYS A 25 22.991 -17.836 -11.586 1.00 0.00 H new ATOM 0 HD3 LYS A 25 22.993 -17.122 -13.186 1.00 0.00 H new ATOM 0 HE2 LYS A 25 23.679 -15.619 -10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 25 24.860 -16.245 -11.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 24.493 -13.976 -12.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 23.715 -14.880 -13.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.804 -14.153 -12.261 1.00 0.00 H new ATOM 403 N LEU A 26 18.744 -16.608 -8.865 1.00 0.00 N ATOM 404 CA LEU A 26 18.021 -15.539 -8.198 1.00 0.00 C ATOM 405 C LEU A 26 18.523 -15.359 -6.761 1.00 0.00 C ATOM 406 O LEU A 26 18.674 -14.232 -6.291 1.00 0.00 O ATOM 407 CB LEU A 26 16.511 -15.818 -8.211 1.00 0.00 C ATOM 408 CG LEU A 26 16.107 -16.495 -9.524 1.00 0.00 C ATOM 409 CD1 LEU A 26 14.586 -16.663 -9.565 1.00 0.00 C ATOM 410 CD2 LEU A 26 16.555 -15.629 -10.705 1.00 0.00 C ATOM 0 H LEU A 26 18.187 -17.435 -9.081 1.00 0.00 H new ATOM 0 HA LEU A 26 18.204 -14.612 -8.742 1.00 0.00 H new ATOM 0 HB2 LEU A 26 16.245 -16.456 -7.368 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.961 -14.885 -8.091 1.00 0.00 H new ATOM 0 HG LEU A 26 16.583 -17.473 -9.589 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.298 -17.145 -10.499 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.265 -17.279 -8.725 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.110 -15.685 -9.500 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.267 -16.111 -11.639 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.079 -14.651 -10.640 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.638 -15.508 -10.677 1.00 0.00 H new ATOM 422 N PRO A 27 18.788 -16.436 -6.061 1.00 0.00 N ATOM 423 CA PRO A 27 19.289 -16.384 -4.652 1.00 0.00 C ATOM 424 C PRO A 27 20.624 -15.642 -4.558 1.00 0.00 C ATOM 425 O PRO A 27 20.862 -14.869 -3.630 1.00 0.00 O ATOM 426 CB PRO A 27 19.434 -17.864 -4.259 1.00 0.00 C ATOM 427 CG PRO A 27 18.577 -18.608 -5.225 1.00 0.00 C ATOM 428 CD PRO A 27 18.662 -17.822 -6.521 1.00 0.00 C ATOM 0 HA PRO A 27 18.617 -15.840 -3.988 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.473 -18.189 -4.322 1.00 0.00 H new ATOM 0 HB3 PRO A 27 19.109 -18.033 -3.232 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.932 -19.630 -5.360 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.548 -18.672 -4.870 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.519 -18.127 -7.122 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.774 -17.963 -7.137 1.00 0.00 H new ATOM 436 N GLU A 28 21.486 -15.897 -5.538 1.00 0.00 N ATOM 437 CA GLU A 28 22.802 -15.271 -5.592 1.00 0.00 C ATOM 438 C GLU A 28 22.687 -13.770 -5.824 1.00 0.00 C ATOM 439 O GLU A 28 23.400 -12.978 -5.208 1.00 0.00 O ATOM 440 CB GLU A 28 23.623 -15.922 -6.708 1.00 0.00 C ATOM 441 CG GLU A 28 24.980 -15.238 -6.808 1.00 0.00 C ATOM 442 CD GLU A 28 25.866 -15.956 -7.820 1.00 0.00 C ATOM 443 OE1 GLU A 28 25.348 -16.786 -8.548 1.00 0.00 O ATOM 444 OE2 GLU A 28 27.051 -15.666 -7.849 1.00 0.00 O ATOM 0 H GLU A 28 21.295 -16.537 -6.309 1.00 0.00 H new ATOM 0 HA GLU A 28 23.302 -15.419 -4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.754 -16.985 -6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.093 -15.842 -7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 28 24.848 -14.197 -7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.464 -15.232 -5.831 1.00 0.00 H new ATOM 451 N ILE A 29 21.792 -13.388 -6.717 1.00 0.00 N ATOM 452 CA ILE A 29 21.592 -11.981 -7.032 1.00 0.00 C ATOM 453 C ILE A 29 21.058 -11.233 -5.815 1.00 0.00 C ATOM 454 O ILE A 29 21.502 -10.126 -5.513 1.00 0.00 O ATOM 455 CB ILE A 29 20.602 -11.851 -8.189 1.00 0.00 C ATOM 456 CG1 ILE A 29 21.230 -12.420 -9.456 1.00 0.00 C ATOM 457 CG2 ILE A 29 20.260 -10.376 -8.414 1.00 0.00 C ATOM 458 CD1 ILE A 29 20.152 -12.593 -10.528 1.00 0.00 C ATOM 0 H ILE A 29 21.192 -14.029 -7.237 1.00 0.00 H new ATOM 0 HA ILE A 29 22.549 -11.546 -7.318 1.00 0.00 H new ATOM 0 HB ILE A 29 19.692 -12.401 -7.948 1.00 0.00 H new ATOM 0 HG12 ILE A 29 22.013 -11.753 -9.817 1.00 0.00 H new ATOM 0 HG13 ILE A 29 21.702 -13.379 -9.242 1.00 0.00 H new ATOM 0 HG21 ILE A 29 19.554 -10.288 -9.240 1.00 0.00 H new ATOM 0 HG22 ILE A 29 19.813 -9.964 -7.509 1.00 0.00 H new ATOM 0 HG23 ILE A 29 21.169 -9.824 -8.654 1.00 0.00 H new ATOM 0 HD11 ILE A 29 20.602 -13.000 -11.434 1.00 0.00 H new ATOM 0 HD12 ILE A 29 19.384 -13.277 -10.165 1.00 0.00 H new ATOM 0 HD13 ILE A 29 19.701 -11.626 -10.750 1.00 0.00 H new ATOM 470 N GLY A 30 20.104 -11.843 -5.120 1.00 0.00 N ATOM 471 CA GLY A 30 19.519 -11.216 -3.942 1.00 0.00 C ATOM 472 C GLY A 30 20.583 -10.963 -2.880 1.00 0.00 C ATOM 473 O GLY A 30 20.619 -9.898 -2.264 1.00 0.00 O ATOM 0 H GLY A 30 19.723 -12.761 -5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 30 19.047 -10.274 -4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 30 18.737 -11.856 -3.534 1.00 0.00 H new ATOM 477 N ARG A 31 21.447 -11.949 -2.670 1.00 0.00 N ATOM 478 CA ARG A 31 22.508 -11.826 -1.683 1.00 0.00 C ATOM 479 C ARG A 31 23.463 -10.715 -2.062 1.00 0.00 C ATOM 480 O ARG A 31 23.812 -9.864 -1.245 1.00 0.00 O ATOM 481 CB ARG A 31 23.294 -13.122 -1.663 1.00 0.00 C ATOM 482 CG ARG A 31 22.449 -14.236 -1.051 1.00 0.00 C ATOM 483 CD ARG A 31 23.043 -15.575 -1.437 1.00 0.00 C ATOM 484 NE ARG A 31 22.605 -16.617 -0.512 1.00 0.00 N ATOM 485 CZ ARG A 31 21.434 -17.230 -0.664 1.00 0.00 C ATOM 486 NH1 ARG A 31 20.649 -16.903 -1.651 1.00 0.00 N ATOM 487 NH2 ARG A 31 21.069 -18.158 0.178 1.00 0.00 N ATOM 0 H ARG A 31 21.433 -12.839 -3.169 1.00 0.00 H new ATOM 0 HA ARG A 31 22.063 -11.608 -0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 31 23.589 -13.393 -2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.211 -12.992 -1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 31 22.422 -14.135 0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 31 21.420 -14.165 -1.404 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.743 -15.833 -2.453 1.00 0.00 H new ATOM 0 HD3 ARG A 31 24.131 -15.511 -1.433 1.00 0.00 H new ATOM 0 HE ARG A 31 23.209 -16.880 0.266 1.00 0.00 H new ATOM 0 HH11 ARG A 31 20.932 -16.176 -2.308 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.752 -17.374 -1.766 1.00 0.00 H new ATOM 0 HH21 ARG A 31 21.682 -18.413 0.953 1.00 0.00 H new ATOM 0 HH22 ARG A 31 20.171 -18.628 0.061 1.00 0.00 H new ATOM 501 N ALA A 32 23.894 -10.744 -3.313 1.00 0.00 N ATOM 502 CA ALA A 32 24.830 -9.745 -3.798 1.00 0.00 C ATOM 503 C ALA A 32 24.203 -8.361 -3.696 1.00 0.00 C ATOM 504 O ALA A 32 24.798 -7.434 -3.148 1.00 0.00 O ATOM 505 CB ALA A 32 25.201 -10.035 -5.251 1.00 0.00 C ATOM 0 H ALA A 32 23.614 -11.440 -4.004 1.00 0.00 H new ATOM 0 HA ALA A 32 25.732 -9.780 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 32 25.903 -9.280 -5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 32 25.663 -11.020 -5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 32 24.302 -10.012 -5.868 1.00 0.00 H new ATOM 511 N ALA A 33 22.979 -8.243 -4.196 1.00 0.00 N ATOM 512 CA ALA A 33 22.252 -6.983 -4.127 1.00 0.00 C ATOM 513 C ALA A 33 21.955 -6.658 -2.674 1.00 0.00 C ATOM 514 O ALA A 33 21.803 -5.497 -2.295 1.00 0.00 O ATOM 515 CB ALA A 33 20.930 -7.094 -4.892 1.00 0.00 C ATOM 0 H ALA A 33 22.471 -9.001 -4.652 1.00 0.00 H new ATOM 0 HA ALA A 33 22.861 -6.196 -4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.395 -6.146 -4.833 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.133 -7.332 -5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.320 -7.883 -4.452 1.00 0.00 H new ATOM 521 N GLY A 34 21.835 -7.712 -1.877 1.00 0.00 N ATOM 522 CA GLY A 34 21.511 -7.555 -0.475 1.00 0.00 C ATOM 523 C GLY A 34 22.498 -6.620 0.217 1.00 0.00 C ATOM 524 O GLY A 34 22.102 -5.738 0.980 1.00 0.00 O ATOM 0 H GLY A 34 21.957 -8.678 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 34 20.500 -7.160 -0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.523 -8.528 0.015 1.00 0.00 H new ATOM 528 N ARG A 35 23.782 -6.815 -0.059 1.00 0.00 N ATOM 529 CA ARG A 35 24.819 -5.977 0.539 1.00 0.00 C ATOM 530 C ARG A 35 24.719 -4.554 0.020 1.00 0.00 C ATOM 531 O ARG A 35 24.866 -3.597 0.776 1.00 0.00 O ATOM 532 CB ARG A 35 26.202 -6.550 0.220 1.00 0.00 C ATOM 533 CG ARG A 35 26.163 -8.074 0.337 1.00 0.00 C ATOM 534 CD ARG A 35 25.601 -8.468 1.704 1.00 0.00 C ATOM 535 NE ARG A 35 26.251 -7.691 2.756 1.00 0.00 N ATOM 536 CZ ARG A 35 25.911 -7.836 4.031 1.00 0.00 C ATOM 537 NH1 ARG A 35 24.976 -8.682 4.368 1.00 0.00 N ATOM 538 NH2 ARG A 35 26.511 -7.130 4.950 1.00 0.00 N ATOM 0 H ARG A 35 24.130 -7.539 -0.687 1.00 0.00 H new ATOM 0 HA ARG A 35 24.675 -5.965 1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 35 26.504 -6.260 -0.786 1.00 0.00 H new ATOM 0 HB3 ARG A 35 26.944 -6.141 0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 35 25.545 -8.494 -0.457 1.00 0.00 H new ATOM 0 HG3 ARG A 35 27.165 -8.484 0.212 1.00 0.00 H new ATOM 0 HD2 ARG A 35 24.525 -8.297 1.727 1.00 0.00 H new ATOM 0 HD3 ARG A 35 25.758 -9.533 1.877 1.00 0.00 H new ATOM 0 HE ARG A 35 26.981 -7.024 2.506 1.00 0.00 H new ATOM 0 HH11 ARG A 35 24.505 -9.234 3.651 1.00 0.00 H new ATOM 0 HH12 ARG A 35 24.717 -8.792 5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 35 27.241 -6.467 4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 35 26.250 -7.241 5.930 1.00 0.00 H new ATOM 552 N THR A 36 24.461 -4.431 -1.273 1.00 0.00 N ATOM 553 CA THR A 36 24.330 -3.130 -1.906 1.00 0.00 C ATOM 554 C THR A 36 23.133 -2.382 -1.330 1.00 0.00 C ATOM 555 O THR A 36 23.202 -1.187 -1.064 1.00 0.00 O ATOM 556 CB THR A 36 24.157 -3.328 -3.420 1.00 0.00 C ATOM 557 OG1 THR A 36 25.416 -3.631 -4.003 1.00 0.00 O ATOM 558 CG2 THR A 36 23.578 -2.068 -4.067 1.00 0.00 C ATOM 0 H THR A 36 24.338 -5.221 -1.906 1.00 0.00 H new ATOM 0 HA THR A 36 25.225 -2.538 -1.716 1.00 0.00 H new ATOM 0 HB THR A 36 23.464 -4.152 -3.589 1.00 0.00 H new ATOM 0 HG1 THR A 36 25.307 -3.759 -4.968 1.00 0.00 H new ATOM 0 HG21 THR A 36 23.463 -2.229 -5.139 1.00 0.00 H new ATOM 0 HG22 THR A 36 22.605 -1.847 -3.627 1.00 0.00 H new ATOM 0 HG23 THR A 36 24.252 -1.229 -3.896 1.00 0.00 H new ATOM 566 N LEU A 37 22.033 -3.088 -1.162 1.00 0.00 N ATOM 567 CA LEU A 37 20.832 -2.474 -0.634 1.00 0.00 C ATOM 568 C LEU A 37 20.982 -2.149 0.842 1.00 0.00 C ATOM 569 O LEU A 37 20.453 -1.153 1.338 1.00 0.00 O ATOM 570 CB LEU A 37 19.658 -3.402 -0.834 1.00 0.00 C ATOM 571 CG LEU A 37 19.330 -3.492 -2.337 1.00 0.00 C ATOM 572 CD1 LEU A 37 18.625 -4.816 -2.641 1.00 0.00 C ATOM 573 CD2 LEU A 37 18.404 -2.338 -2.755 1.00 0.00 C ATOM 0 H LEU A 37 21.946 -4.080 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 37 20.662 -1.541 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 37 19.891 -4.392 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 37 18.792 -3.036 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 37 20.266 -3.430 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.397 -4.871 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 37 19.276 -5.646 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.699 -4.875 -2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.182 -2.417 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.476 -2.392 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.896 -1.386 -2.556 1.00 0.00 H new ATOM 585 N LEU A 38 21.693 -3.016 1.530 1.00 0.00 N ATOM 586 CA LEU A 38 21.921 -2.869 2.958 1.00 0.00 C ATOM 587 C LEU A 38 22.593 -1.542 3.249 1.00 0.00 C ATOM 588 O LEU A 38 22.261 -0.872 4.218 1.00 0.00 O ATOM 589 CB LEU A 38 22.821 -4.024 3.422 1.00 0.00 C ATOM 590 CG LEU A 38 23.230 -3.866 4.893 1.00 0.00 C ATOM 591 CD1 LEU A 38 22.061 -4.236 5.806 1.00 0.00 C ATOM 592 CD2 LEU A 38 24.419 -4.781 5.176 1.00 0.00 C ATOM 0 H LEU A 38 22.130 -3.842 1.120 1.00 0.00 H new ATOM 0 HA LEU A 38 20.970 -2.893 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 38 22.297 -4.970 3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 38 23.714 -4.064 2.798 1.00 0.00 H new ATOM 0 HG LEU A 38 23.507 -2.830 5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 38 22.362 -4.120 6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 38 21.215 -3.581 5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 38 21.771 -5.271 5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 38 24.718 -4.677 6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 38 24.136 -5.816 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 38 25.252 -4.505 4.530 1.00 0.00 H new ATOM 604 N GLU A 39 23.548 -1.170 2.429 1.00 0.00 N ATOM 605 CA GLU A 39 24.246 0.084 2.635 1.00 0.00 C ATOM 606 C GLU A 39 23.365 1.254 2.195 1.00 0.00 C ATOM 607 O GLU A 39 23.578 2.391 2.615 1.00 0.00 O ATOM 608 CB GLU A 39 25.568 0.097 1.873 1.00 0.00 C ATOM 609 CG GLU A 39 25.307 -0.284 0.434 1.00 0.00 C ATOM 610 CD GLU A 39 26.562 -0.076 -0.405 1.00 0.00 C ATOM 611 OE1 GLU A 39 27.640 -0.342 0.099 1.00 0.00 O ATOM 612 OE2 GLU A 39 26.426 0.348 -1.541 1.00 0.00 O ATOM 0 H GLU A 39 23.859 -1.709 1.621 1.00 0.00 H new ATOM 0 HA GLU A 39 24.465 0.188 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 39 26.023 1.086 1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 39 26.271 -0.602 2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 39 24.993 -1.326 0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 39 24.490 0.317 0.034 1.00 0.00 H new ATOM 619 N PHE A 40 22.387 0.972 1.327 1.00 0.00 N ATOM 620 CA PHE A 40 21.504 2.021 0.823 1.00 0.00 C ATOM 621 C PHE A 40 20.665 2.639 1.940 1.00 0.00 C ATOM 622 O PHE A 40 20.573 3.860 2.059 1.00 0.00 O ATOM 623 CB PHE A 40 20.584 1.413 -0.256 1.00 0.00 C ATOM 624 CG PHE A 40 20.647 2.206 -1.543 1.00 0.00 C ATOM 625 CD1 PHE A 40 20.509 3.597 -1.510 1.00 0.00 C ATOM 626 CD2 PHE A 40 20.844 1.545 -2.763 1.00 0.00 C ATOM 627 CE1 PHE A 40 20.570 4.334 -2.697 1.00 0.00 C ATOM 628 CE2 PHE A 40 20.906 2.283 -3.952 1.00 0.00 C ATOM 629 CZ PHE A 40 20.768 3.677 -3.920 1.00 0.00 C ATOM 0 H PHE A 40 22.191 0.039 0.965 1.00 0.00 H new ATOM 0 HA PHE A 40 22.114 2.818 0.398 1.00 0.00 H new ATOM 0 HB2 PHE A 40 20.878 0.381 -0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 40 19.557 1.390 0.109 1.00 0.00 H new ATOM 0 HD1 PHE A 40 20.355 4.102 -0.568 1.00 0.00 H new ATOM 0 HD2 PHE A 40 20.948 0.470 -2.786 1.00 0.00 H new ATOM 0 HE1 PHE A 40 20.465 5.409 -2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 40 21.060 1.777 -4.894 1.00 0.00 H new ATOM 0 HZ PHE A 40 20.814 4.245 -4.837 1.00 0.00 H new ATOM 639 N LYS A 41 20.044 1.787 2.740 1.00 0.00 N ATOM 640 CA LYS A 41 19.203 2.261 3.823 1.00 0.00 C ATOM 641 C LYS A 41 20.032 2.990 4.871 1.00 0.00 C ATOM 642 O LYS A 41 19.579 3.956 5.483 1.00 0.00 O ATOM 643 CB LYS A 41 18.464 1.091 4.460 1.00 0.00 C ATOM 644 CG LYS A 41 19.468 0.043 4.977 1.00 0.00 C ATOM 645 CD LYS A 41 19.400 -0.044 6.510 1.00 0.00 C ATOM 646 CE LYS A 41 20.354 -1.130 7.007 1.00 0.00 C ATOM 647 NZ LYS A 41 19.633 -2.433 7.051 1.00 0.00 N ATOM 0 H LYS A 41 20.106 0.772 2.660 1.00 0.00 H new ATOM 0 HA LYS A 41 18.476 2.962 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.844 1.448 5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.794 0.635 3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.246 -0.931 4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.478 0.310 4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.666 0.917 6.951 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.381 -0.269 6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.218 -1.201 6.347 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.730 -0.875 7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.239 -3.150 7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.757 -2.327 7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.399 -2.733 6.083 1.00 0.00 H new ATOM 661 N SER A 42 21.252 2.514 5.066 1.00 0.00 N ATOM 662 CA SER A 42 22.152 3.114 6.037 1.00 0.00 C ATOM 663 C SER A 42 22.508 4.530 5.605 1.00 0.00 C ATOM 664 O SER A 42 22.574 5.443 6.428 1.00 0.00 O ATOM 665 CB SER A 42 23.418 2.276 6.149 1.00 0.00 C ATOM 666 OG SER A 42 23.122 1.064 6.830 1.00 0.00 O ATOM 0 H SER A 42 21.641 1.715 4.565 1.00 0.00 H new ATOM 0 HA SER A 42 21.658 3.151 7.008 1.00 0.00 H new ATOM 0 HB2 SER A 42 23.814 2.061 5.157 1.00 0.00 H new ATOM 0 HB3 SER A 42 24.188 2.830 6.687 1.00 0.00 H new ATOM 0 HG SER A 42 23.935 0.522 6.902 1.00 0.00 H new ATOM 672 N ALA A 43 22.714 4.708 4.306 1.00 0.00 N ATOM 673 CA ALA A 43 23.036 6.023 3.769 1.00 0.00 C ATOM 674 C ALA A 43 21.822 6.934 3.890 1.00 0.00 C ATOM 675 O ALA A 43 21.945 8.121 4.188 1.00 0.00 O ATOM 676 CB ALA A 43 23.461 5.903 2.302 1.00 0.00 C ATOM 0 H ALA A 43 22.664 3.964 3.610 1.00 0.00 H new ATOM 0 HA ALA A 43 23.862 6.450 4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 43 23.699 6.892 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.340 5.262 2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 43 22.647 5.470 1.722 1.00 0.00 H new ATOM 682 N THR A 44 20.648 6.359 3.662 1.00 0.00 N ATOM 683 CA THR A 44 19.402 7.094 3.753 1.00 0.00 C ATOM 684 C THR A 44 19.170 7.604 5.170 1.00 0.00 C ATOM 685 O THR A 44 18.766 8.747 5.369 1.00 0.00 O ATOM 686 CB THR A 44 18.259 6.171 3.323 1.00 0.00 C ATOM 687 OG1 THR A 44 18.208 6.101 1.905 1.00 0.00 O ATOM 688 CG2 THR A 44 16.928 6.675 3.871 1.00 0.00 C ATOM 0 H THR A 44 20.537 5.377 3.411 1.00 0.00 H new ATOM 0 HA THR A 44 19.446 7.963 3.096 1.00 0.00 H new ATOM 0 HB THR A 44 18.441 5.175 3.726 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.877 5.461 1.585 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.128 6.006 3.555 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.970 6.702 4.960 1.00 0.00 H new ATOM 0 HG23 THR A 44 16.734 7.678 3.490 1.00 0.00 H new ATOM 696 N LYS A 45 19.418 6.741 6.143 1.00 0.00 N ATOM 697 CA LYS A 45 19.222 7.101 7.538 1.00 0.00 C ATOM 698 C LYS A 45 20.041 8.333 7.877 1.00 0.00 C ATOM 699 O LYS A 45 19.672 9.116 8.743 1.00 0.00 O ATOM 700 CB LYS A 45 19.639 5.935 8.439 1.00 0.00 C ATOM 701 CG LYS A 45 19.657 6.375 9.931 1.00 0.00 C ATOM 702 CD LYS A 45 21.099 6.632 10.400 1.00 0.00 C ATOM 703 CE LYS A 45 21.775 5.310 10.777 1.00 0.00 C ATOM 704 NZ LYS A 45 23.167 5.581 11.236 1.00 0.00 N ATOM 0 H LYS A 45 19.754 5.790 5.993 1.00 0.00 H new ATOM 0 HA LYS A 45 18.167 7.321 7.703 1.00 0.00 H new ATOM 0 HB2 LYS A 45 18.948 5.102 8.308 1.00 0.00 H new ATOM 0 HB3 LYS A 45 20.627 5.578 8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.061 7.279 10.057 1.00 0.00 H new ATOM 0 HG3 LYS A 45 19.199 5.603 10.549 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.664 7.125 9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 45 21.096 7.305 11.257 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.211 4.812 11.565 1.00 0.00 H new ATOM 0 HE3 LYS A 45 21.787 4.637 9.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 23.629 4.685 11.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 23.702 6.039 10.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 23.143 6.208 12.065 1.00 0.00 H new ATOM 718 N SER A 46 21.163 8.491 7.200 1.00 0.00 N ATOM 719 CA SER A 46 22.032 9.630 7.449 1.00 0.00 C ATOM 720 C SER A 46 21.460 10.909 6.824 1.00 0.00 C ATOM 721 O SER A 46 21.727 12.012 7.301 1.00 0.00 O ATOM 722 CB SER A 46 23.418 9.336 6.889 1.00 0.00 C ATOM 723 OG SER A 46 24.143 8.548 7.824 1.00 0.00 O ATOM 0 H SER A 46 21.494 7.851 6.478 1.00 0.00 H new ATOM 0 HA SER A 46 22.101 9.792 8.525 1.00 0.00 H new ATOM 0 HB2 SER A 46 23.335 8.809 5.938 1.00 0.00 H new ATOM 0 HB3 SER A 46 23.949 10.267 6.692 1.00 0.00 H new ATOM 0 HG SER A 46 25.035 8.355 7.467 1.00 0.00 H new ATOM 729 N LEU A 47 20.681 10.754 5.757 1.00 0.00 N ATOM 730 CA LEU A 47 20.086 11.898 5.075 1.00 0.00 C ATOM 731 C LEU A 47 18.961 12.506 5.907 1.00 0.00 C ATOM 732 O LEU A 47 18.590 13.665 5.719 1.00 0.00 O ATOM 733 CB LEU A 47 19.529 11.461 3.729 1.00 0.00 C ATOM 734 CG LEU A 47 20.659 10.953 2.820 1.00 0.00 C ATOM 735 CD1 LEU A 47 20.054 10.390 1.524 1.00 0.00 C ATOM 736 CD2 LEU A 47 21.631 12.101 2.484 1.00 0.00 C ATOM 0 H LEU A 47 20.448 9.850 5.347 1.00 0.00 H new ATOM 0 HA LEU A 47 20.863 12.649 4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 47 18.788 10.674 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 47 19.018 12.297 3.251 1.00 0.00 H new ATOM 0 HG LEU A 47 21.210 10.169 3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 47 20.853 10.029 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 47 19.381 9.567 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.498 11.175 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 47 22.427 11.727 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 47 21.091 12.896 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 47 22.064 12.493 3.405 1.00 0.00 H new ATOM 748 N VAL A 48 18.408 11.707 6.809 1.00 0.00 N ATOM 749 CA VAL A 48 17.309 12.160 7.653 1.00 0.00 C ATOM 750 C VAL A 48 17.749 13.327 8.527 1.00 0.00 C ATOM 751 O VAL A 48 16.939 14.170 8.916 1.00 0.00 O ATOM 752 CB VAL A 48 16.803 10.998 8.526 1.00 0.00 C ATOM 753 CG1 VAL A 48 16.691 9.729 7.673 1.00 0.00 C ATOM 754 CG2 VAL A 48 17.760 10.764 9.721 1.00 0.00 C ATOM 0 H VAL A 48 18.701 10.744 6.976 1.00 0.00 H new ATOM 0 HA VAL A 48 16.496 12.501 7.013 1.00 0.00 H new ATOM 0 HB VAL A 48 15.819 11.250 8.922 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.333 8.906 8.291 1.00 0.00 H new ATOM 0 HG12 VAL A 48 15.991 9.901 6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 48 17.670 9.477 7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.388 9.939 10.329 1.00 0.00 H new ATOM 0 HG22 VAL A 48 18.755 10.520 9.348 1.00 0.00 H new ATOM 0 HG23 VAL A 48 17.811 11.668 10.328 1.00 0.00 H new ATOM 764 N SER A 49 19.037 13.367 8.827 1.00 0.00 N ATOM 765 CA SER A 49 19.589 14.428 9.651 1.00 0.00 C ATOM 766 C SER A 49 19.319 15.785 9.012 1.00 0.00 C ATOM 767 O SER A 49 18.990 16.754 9.696 1.00 0.00 O ATOM 768 CB SER A 49 21.091 14.218 9.795 1.00 0.00 C ATOM 769 OG SER A 49 21.330 13.108 10.650 1.00 0.00 O ATOM 0 H SER A 49 19.719 12.677 8.512 1.00 0.00 H new ATOM 0 HA SER A 49 19.117 14.404 10.633 1.00 0.00 H new ATOM 0 HB2 SER A 49 21.541 14.042 8.818 1.00 0.00 H new ATOM 0 HB3 SER A 49 21.558 15.114 10.204 1.00 0.00 H new ATOM 0 HG SER A 49 22.296 12.969 10.743 1.00 0.00 H new ATOM 775 N GLY A 50 19.460 15.839 7.695 1.00 0.00 N ATOM 776 CA GLY A 50 19.229 17.074 6.961 1.00 0.00 C ATOM 777 C GLY A 50 20.340 18.082 7.222 1.00 0.00 C ATOM 778 O GLY A 50 20.100 19.287 7.285 1.00 0.00 O ATOM 0 H GLY A 50 19.732 15.045 7.115 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.170 16.861 5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.270 17.501 7.254 1.00 0.00 H new ATOM 782 N ASP A 51 21.558 17.574 7.374 1.00 0.00 N ATOM 783 CA ASP A 51 22.713 18.430 7.633 1.00 0.00 C ATOM 784 C ASP A 51 23.289 18.970 6.328 1.00 0.00 C ATOM 785 O ASP A 51 23.788 18.210 5.497 1.00 0.00 O ATOM 786 CB ASP A 51 23.784 17.644 8.374 1.00 0.00 C ATOM 787 CG ASP A 51 24.973 18.545 8.688 1.00 0.00 C ATOM 788 OD1 ASP A 51 24.757 19.599 9.263 1.00 0.00 O ATOM 789 OD2 ASP A 51 26.083 18.168 8.351 1.00 0.00 O ATOM 0 H ASP A 51 21.772 16.578 7.323 1.00 0.00 H new ATOM 0 HA ASP A 51 22.386 19.270 8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 51 23.373 17.236 9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.109 16.798 7.769 1.00 0.00 H new ATOM 794 N GLU A 52 23.216 20.287 6.153 1.00 0.00 N ATOM 795 CA GLU A 52 23.734 20.920 4.947 1.00 0.00 C ATOM 796 C GLU A 52 25.102 20.353 4.580 1.00 0.00 C ATOM 797 O GLU A 52 25.400 20.291 3.399 1.00 0.00 O ATOM 798 CB GLU A 52 23.845 22.425 5.161 1.00 0.00 C ATOM 799 CG GLU A 52 22.446 23.034 5.278 1.00 0.00 C ATOM 800 CD GLU A 52 22.549 24.526 5.575 1.00 0.00 C ATOM 801 OE1 GLU A 52 23.663 25.018 5.653 1.00 0.00 O ATOM 802 OE2 GLU A 52 21.513 25.155 5.720 1.00 0.00 O ATOM 0 H GLU A 52 22.805 20.932 6.828 1.00 0.00 H new ATOM 0 HA GLU A 52 23.043 20.716 4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 52 24.419 22.632 6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.383 22.882 4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 52 21.893 22.877 4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 52 21.888 22.535 6.070 1.00 0.00 H new TER 809 GLU A 52