USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 429 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -149:sc= -0.103 (180deg=-0.695) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0247 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0113 USER MOD Single : A 9 THR OG1 : rot 105:sc= 1.26 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 87:sc= 0.845 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 98:sc= 1.22 USER MOD Single : A 32 THR OG1 : rot 68:sc= 0.901 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.5) USER MOD Single : A 42 THR OG1 : rot 73:sc= 0.437 USER MOD Single : A 44 GLN : amide:sc= -0.212 K(o=-0.21,f=-2.4!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= -0.243 (180deg=-1.12!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.340 23.640 -18.482 1.00 0.00 N ATOM 2 CA MET A 1 -18.458 23.822 -17.007 1.00 0.00 C ATOM 3 C MET A 1 -19.598 24.789 -16.709 1.00 0.00 C ATOM 4 O MET A 1 -19.379 25.987 -16.530 1.00 0.00 O ATOM 5 CB MET A 1 -17.143 24.379 -16.458 1.00 0.00 C ATOM 6 CG MET A 1 -16.056 23.307 -16.556 1.00 0.00 C ATOM 7 SD MET A 1 -16.089 22.276 -15.070 1.00 0.00 S ATOM 8 CE MET A 1 -14.566 21.355 -15.397 1.00 0.00 C ATOM 0 H1 MET A 1 -17.993 22.681 -18.687 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.272 23.773 -18.924 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.672 24.339 -18.866 1.00 0.00 H new ATOM 0 HA MET A 1 -18.667 22.864 -16.531 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.847 25.265 -17.021 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.271 24.688 -15.421 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.216 22.692 -17.442 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.078 23.775 -16.665 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.389 20.646 -14.588 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.663 20.815 -16.339 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.728 22.049 -15.461 1.00 0.00 H new ATOM 20 N SER A 2 -20.817 24.261 -16.661 1.00 0.00 N ATOM 21 CA SER A 2 -21.986 25.088 -16.387 1.00 0.00 C ATOM 22 C SER A 2 -22.207 25.225 -14.887 1.00 0.00 C ATOM 23 O SER A 2 -23.260 25.689 -14.446 1.00 0.00 O ATOM 24 CB SER A 2 -23.223 24.468 -17.028 1.00 0.00 C ATOM 25 OG SER A 2 -23.956 23.757 -16.038 1.00 0.00 O ATOM 0 H SER A 2 -21.020 23.272 -16.807 1.00 0.00 H new ATOM 0 HA SER A 2 -21.813 26.078 -16.809 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.846 25.245 -17.471 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.931 23.795 -17.835 1.00 0.00 H new ATOM 0 HG SER A 2 -24.753 23.358 -16.445 1.00 0.00 H new ATOM 31 N GLU A 3 -21.209 24.815 -14.108 1.00 0.00 N ATOM 32 CA GLU A 3 -21.300 24.894 -12.653 1.00 0.00 C ATOM 33 C GLU A 3 -20.217 25.814 -12.094 1.00 0.00 C ATOM 34 O GLU A 3 -19.214 26.081 -12.757 1.00 0.00 O ATOM 35 CB GLU A 3 -21.151 23.500 -12.041 1.00 0.00 C ATOM 36 CG GLU A 3 -20.711 22.509 -13.120 1.00 0.00 C ATOM 37 CD GLU A 3 -20.402 21.155 -12.489 1.00 0.00 C ATOM 38 OE1 GLU A 3 -19.273 20.965 -12.065 1.00 0.00 O ATOM 39 OE2 GLU A 3 -21.297 20.328 -12.439 1.00 0.00 O ATOM 0 H GLU A 3 -20.333 24.427 -14.458 1.00 0.00 H new ATOM 0 HA GLU A 3 -22.277 25.302 -12.394 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -20.419 23.523 -11.234 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -22.097 23.181 -11.604 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -21.496 22.400 -13.868 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -19.829 22.889 -13.637 1.00 0.00 H new ATOM 46 N PRO A 4 -20.399 26.298 -10.889 1.00 0.00 N ATOM 47 CA PRO A 4 -19.416 27.208 -10.225 1.00 0.00 C ATOM 48 C PRO A 4 -18.115 26.489 -9.870 1.00 0.00 C ATOM 49 O PRO A 4 -18.134 25.362 -9.374 1.00 0.00 O ATOM 50 CB PRO A 4 -20.142 27.673 -8.960 1.00 0.00 C ATOM 51 CG PRO A 4 -21.157 26.617 -8.677 1.00 0.00 C ATOM 52 CD PRO A 4 -21.562 26.032 -10.029 1.00 0.00 C ATOM 0 HA PRO A 4 -19.119 28.030 -10.876 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -19.448 27.785 -8.127 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -20.616 28.643 -9.112 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -20.743 25.845 -8.028 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -22.021 27.037 -8.162 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -21.770 24.965 -9.957 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -22.463 26.507 -10.417 1.00 0.00 H new ATOM 60 N ALA A 5 -16.990 27.149 -10.128 1.00 0.00 N ATOM 61 CA ALA A 5 -15.687 26.563 -9.834 1.00 0.00 C ATOM 62 C ALA A 5 -15.491 26.411 -8.333 1.00 0.00 C ATOM 63 O ALA A 5 -14.524 25.799 -7.879 1.00 0.00 O ATOM 64 CB ALA A 5 -14.576 27.442 -10.410 1.00 0.00 C ATOM 0 H ALA A 5 -16.954 28.083 -10.537 1.00 0.00 H new ATOM 0 HA ALA A 5 -15.644 25.576 -10.294 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -13.607 26.997 -10.186 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -14.698 27.521 -11.490 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -14.631 28.436 -9.965 1.00 0.00 H new ATOM 70 N SER A 6 -16.419 26.969 -7.570 1.00 0.00 N ATOM 71 CA SER A 6 -16.346 26.893 -6.116 1.00 0.00 C ATOM 72 C SER A 6 -16.655 25.479 -5.639 1.00 0.00 C ATOM 73 O SER A 6 -16.071 25.001 -4.666 1.00 0.00 O ATOM 74 CB SER A 6 -17.339 27.872 -5.488 1.00 0.00 C ATOM 75 OG SER A 6 -18.440 27.147 -4.957 1.00 0.00 O ATOM 0 H SER A 6 -17.227 27.477 -7.929 1.00 0.00 H new ATOM 0 HA SER A 6 -15.334 27.157 -5.809 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.852 28.446 -4.700 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.685 28.586 -6.235 1.00 0.00 H new ATOM 0 HG SER A 6 -19.078 27.771 -4.552 1.00 0.00 H new ATOM 81 N LEU A 7 -17.574 24.813 -6.328 1.00 0.00 N ATOM 82 CA LEU A 7 -17.952 23.452 -5.961 1.00 0.00 C ATOM 83 C LEU A 7 -16.721 22.558 -5.854 1.00 0.00 C ATOM 84 O LEU A 7 -16.502 21.901 -4.838 1.00 0.00 O ATOM 85 CB LEU A 7 -18.911 22.879 -7.004 1.00 0.00 C ATOM 86 CG LEU A 7 -20.092 22.203 -6.305 1.00 0.00 C ATOM 87 CD1 LEU A 7 -21.042 21.621 -7.352 1.00 0.00 C ATOM 88 CD2 LEU A 7 -19.579 21.076 -5.403 1.00 0.00 C ATOM 0 H LEU A 7 -18.068 25.188 -7.137 1.00 0.00 H new ATOM 0 HA LEU A 7 -18.445 23.484 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -19.270 23.674 -7.657 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -18.389 22.159 -7.635 1.00 0.00 H new ATOM 0 HG LEU A 7 -20.622 22.940 -5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -21.883 21.140 -6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -21.411 22.421 -7.994 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -20.511 20.886 -7.957 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -20.422 20.596 -4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.047 20.341 -6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.903 21.489 -4.654 1.00 0.00 H new ATOM 100 N LEU A 8 -15.918 22.540 -6.909 1.00 0.00 N ATOM 101 CA LEU A 8 -14.714 21.719 -6.920 1.00 0.00 C ATOM 102 C LEU A 8 -13.710 22.224 -5.891 1.00 0.00 C ATOM 103 O LEU A 8 -13.137 21.444 -5.131 1.00 0.00 O ATOM 104 CB LEU A 8 -14.079 21.738 -8.311 1.00 0.00 C ATOM 105 CG LEU A 8 -15.051 21.129 -9.330 1.00 0.00 C ATOM 106 CD1 LEU A 8 -15.533 22.216 -10.290 1.00 0.00 C ATOM 107 CD2 LEU A 8 -14.337 20.030 -10.122 1.00 0.00 C ATOM 0 H LEU A 8 -16.075 23.079 -7.761 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.993 20.697 -6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.833 22.761 -8.595 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -13.145 21.176 -8.303 1.00 0.00 H new ATOM 0 HG LEU A 8 -15.906 20.703 -8.805 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -16.223 21.782 -11.014 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -16.041 22.999 -9.727 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.678 22.643 -10.815 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.027 19.597 -10.846 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.481 20.456 -10.646 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -13.994 19.253 -9.438 1.00 0.00 H new ATOM 119 N THR A 9 -13.505 23.533 -5.877 1.00 0.00 N ATOM 120 CA THR A 9 -12.566 24.139 -4.941 1.00 0.00 C ATOM 121 C THR A 9 -13.084 24.024 -3.512 1.00 0.00 C ATOM 122 O THR A 9 -12.365 24.317 -2.556 1.00 0.00 O ATOM 123 CB THR A 9 -12.352 25.615 -5.295 1.00 0.00 C ATOM 124 OG1 THR A 9 -12.236 25.749 -6.705 1.00 0.00 O ATOM 125 CG2 THR A 9 -11.072 26.128 -4.630 1.00 0.00 C ATOM 0 H THR A 9 -13.972 24.193 -6.498 1.00 0.00 H new ATOM 0 HA THR A 9 -11.617 23.609 -5.013 1.00 0.00 H new ATOM 0 HB THR A 9 -13.201 26.197 -4.938 1.00 0.00 H new ATOM 0 HG1 THR A 9 -13.066 26.122 -7.068 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.925 27.177 -4.885 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.158 26.026 -3.548 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.220 25.546 -4.983 1.00 0.00 H new ATOM 133 N ALA A 10 -14.332 23.591 -3.375 1.00 0.00 N ATOM 134 CA ALA A 10 -14.938 23.442 -2.055 1.00 0.00 C ATOM 135 C ALA A 10 -15.068 21.973 -1.682 1.00 0.00 C ATOM 136 O ALA A 10 -15.196 21.625 -0.507 1.00 0.00 O ATOM 137 CB ALA A 10 -16.320 24.100 -2.033 1.00 0.00 C ATOM 0 H ALA A 10 -14.940 23.339 -4.154 1.00 0.00 H new ATOM 0 HA ALA A 10 -14.291 23.932 -1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -16.763 23.983 -1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -16.222 25.161 -2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.961 23.625 -2.776 1.00 0.00 H new ATOM 143 N SER A 11 -15.036 21.122 -2.690 1.00 0.00 N ATOM 144 CA SER A 11 -15.154 19.685 -2.471 1.00 0.00 C ATOM 145 C SER A 11 -13.785 19.041 -2.306 1.00 0.00 C ATOM 146 O SER A 11 -13.670 17.919 -1.812 1.00 0.00 O ATOM 147 CB SER A 11 -15.891 19.029 -3.637 1.00 0.00 C ATOM 148 OG SER A 11 -16.063 17.645 -3.362 1.00 0.00 O ATOM 0 H SER A 11 -14.930 21.395 -3.667 1.00 0.00 H new ATOM 0 HA SER A 11 -15.722 19.534 -1.553 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.860 19.506 -3.785 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.327 19.161 -4.560 1.00 0.00 H new ATOM 0 HG SER A 11 -16.537 17.220 -4.107 1.00 0.00 H new ATOM 154 N ASP A 12 -12.754 19.760 -2.726 1.00 0.00 N ATOM 155 CA ASP A 12 -11.385 19.263 -2.631 1.00 0.00 C ATOM 156 C ASP A 12 -10.521 20.218 -1.814 1.00 0.00 C ATOM 157 O ASP A 12 -9.362 20.462 -2.149 1.00 0.00 O ATOM 158 CB ASP A 12 -10.793 19.106 -4.032 1.00 0.00 C ATOM 159 CG ASP A 12 -11.510 17.986 -4.778 1.00 0.00 C ATOM 160 OD1 ASP A 12 -11.583 16.893 -4.240 1.00 0.00 O ATOM 161 OD2 ASP A 12 -11.979 18.238 -5.876 1.00 0.00 O ATOM 0 H ASP A 12 -12.837 20.690 -3.136 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.403 18.294 -2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.889 20.041 -4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.728 18.885 -3.963 1.00 0.00 H new ATOM 166 N LEU A 13 -11.094 20.757 -0.743 1.00 0.00 N ATOM 167 CA LEU A 13 -10.366 21.686 0.114 1.00 0.00 C ATOM 168 C LEU A 13 -8.956 21.173 0.386 1.00 0.00 C ATOM 169 O LEU A 13 -8.060 21.949 0.717 1.00 0.00 O ATOM 170 CB LEU A 13 -11.107 21.865 1.438 1.00 0.00 C ATOM 171 CG LEU A 13 -11.164 20.527 2.174 1.00 0.00 C ATOM 172 CD1 LEU A 13 -10.155 20.531 3.325 1.00 0.00 C ATOM 173 CD2 LEU A 13 -12.571 20.312 2.733 1.00 0.00 C ATOM 0 H LEU A 13 -12.052 20.569 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.299 22.646 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.601 22.609 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.116 22.235 1.255 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.920 19.722 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.197 19.576 3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.151 20.684 2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.397 21.336 4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.612 19.358 3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.814 21.118 3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.291 20.307 1.915 1.00 0.00 H new ATOM 185 N ASP A 14 -8.767 19.863 0.239 1.00 0.00 N ATOM 186 CA ASP A 14 -7.459 19.257 0.470 1.00 0.00 C ATOM 187 C ASP A 14 -7.025 18.454 -0.761 1.00 0.00 C ATOM 188 O ASP A 14 -7.191 17.232 -0.808 1.00 0.00 O ATOM 189 CB ASP A 14 -7.537 18.337 1.695 1.00 0.00 C ATOM 190 CG ASP A 14 -6.978 19.057 2.918 1.00 0.00 C ATOM 191 OD1 ASP A 14 -5.885 19.591 2.815 1.00 0.00 O ATOM 192 OD2 ASP A 14 -7.652 19.074 3.933 1.00 0.00 O ATOM 0 H ASP A 14 -9.497 19.206 -0.037 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.724 20.042 0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.571 18.043 1.876 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.973 17.422 1.511 1.00 0.00 H new ATOM 197 N PRO A 15 -6.472 19.113 -1.755 1.00 0.00 N ATOM 198 CA PRO A 15 -6.019 18.443 -3.005 1.00 0.00 C ATOM 199 C PRO A 15 -4.667 17.755 -2.840 1.00 0.00 C ATOM 200 O PRO A 15 -4.466 16.634 -3.310 1.00 0.00 O ATOM 201 CB PRO A 15 -5.934 19.586 -4.017 1.00 0.00 C ATOM 202 CG PRO A 15 -5.703 20.827 -3.214 1.00 0.00 C ATOM 203 CD PRO A 15 -6.219 20.564 -1.796 1.00 0.00 C ATOM 0 HA PRO A 15 -6.698 17.647 -3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.121 19.422 -4.725 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.853 19.662 -4.599 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.643 21.079 -3.195 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.224 21.674 -3.660 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.485 20.860 -1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.128 21.131 -1.594 1.00 0.00 H new ATOM 211 N LEU A 16 -3.745 18.434 -2.170 1.00 0.00 N ATOM 212 CA LEU A 16 -2.415 17.883 -1.948 1.00 0.00 C ATOM 213 C LEU A 16 -2.497 16.556 -1.203 1.00 0.00 C ATOM 214 O LEU A 16 -1.885 15.564 -1.605 1.00 0.00 O ATOM 215 CB LEU A 16 -1.571 18.871 -1.143 1.00 0.00 C ATOM 216 CG LEU A 16 -1.403 20.168 -1.938 1.00 0.00 C ATOM 217 CD1 LEU A 16 -1.658 21.363 -1.019 1.00 0.00 C ATOM 218 CD2 LEU A 16 0.020 20.252 -2.499 1.00 0.00 C ATOM 0 H LEU A 16 -3.892 19.362 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.949 17.710 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.050 19.078 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.595 18.438 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.116 20.180 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.539 22.288 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.672 21.308 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.945 21.347 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.134 21.177 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.736 20.238 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.203 19.401 -3.155 1.00 0.00 H new ATOM 230 N ILE A 17 -3.258 16.544 -0.116 1.00 0.00 N ATOM 231 CA ILE A 17 -3.409 15.333 0.675 1.00 0.00 C ATOM 232 C ILE A 17 -4.188 14.279 -0.102 1.00 0.00 C ATOM 233 O ILE A 17 -3.902 13.090 0.003 1.00 0.00 O ATOM 234 CB ILE A 17 -4.136 15.643 1.980 1.00 0.00 C ATOM 235 CG1 ILE A 17 -3.177 16.344 2.943 1.00 0.00 C ATOM 236 CG2 ILE A 17 -4.635 14.342 2.614 1.00 0.00 C ATOM 237 CD1 ILE A 17 -3.975 16.960 4.095 1.00 0.00 C ATOM 0 H ILE A 17 -3.775 17.351 0.234 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.415 14.946 0.898 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.986 16.293 1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.448 15.632 3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.618 17.119 2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.154 14.567 3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.320 13.843 1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.787 13.689 2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.294 17.460 4.783 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.687 17.684 3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.514 16.175 4.625 1.00 0.00 H new ATOM 249 N LEU A 18 -5.170 14.714 -0.887 1.00 0.00 N ATOM 250 CA LEU A 18 -5.961 13.777 -1.665 1.00 0.00 C ATOM 251 C LEU A 18 -5.067 13.020 -2.634 1.00 0.00 C ATOM 252 O LEU A 18 -5.223 11.815 -2.830 1.00 0.00 O ATOM 253 CB LEU A 18 -7.060 14.552 -2.418 1.00 0.00 C ATOM 254 CG LEU A 18 -7.219 14.047 -3.863 1.00 0.00 C ATOM 255 CD1 LEU A 18 -7.677 12.588 -3.851 1.00 0.00 C ATOM 256 CD2 LEU A 18 -8.270 14.890 -4.596 1.00 0.00 C ATOM 0 H LEU A 18 -5.431 15.694 -0.998 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.431 13.049 -1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.007 14.448 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.816 15.614 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.260 14.130 -4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.789 12.233 -4.876 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.936 11.978 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.634 12.511 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.378 14.528 -5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.226 14.809 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.953 15.933 -4.612 1.00 0.00 H new ATOM 268 N THR A 19 -4.147 13.750 -3.257 1.00 0.00 N ATOM 269 CA THR A 19 -3.244 13.154 -4.233 1.00 0.00 C ATOM 270 C THR A 19 -2.385 12.080 -3.582 1.00 0.00 C ATOM 271 O THR A 19 -2.268 10.972 -4.101 1.00 0.00 O ATOM 272 CB THR A 19 -2.350 14.233 -4.852 1.00 0.00 C ATOM 273 OG1 THR A 19 -3.088 15.439 -4.986 1.00 0.00 O ATOM 274 CG2 THR A 19 -1.872 13.772 -6.232 1.00 0.00 C ATOM 0 H THR A 19 -4.008 14.749 -3.104 1.00 0.00 H new ATOM 0 HA THR A 19 -3.842 12.692 -5.018 1.00 0.00 H new ATOM 0 HB THR A 19 -1.488 14.403 -4.207 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.029 15.953 -4.153 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.236 14.540 -6.672 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.306 12.846 -6.130 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.734 13.601 -6.877 1.00 0.00 H new ATOM 282 N LEU A 20 -1.792 12.417 -2.448 1.00 0.00 N ATOM 283 CA LEU A 20 -0.944 11.473 -1.733 1.00 0.00 C ATOM 284 C LEU A 20 -1.774 10.309 -1.197 1.00 0.00 C ATOM 285 O LEU A 20 -1.308 9.170 -1.162 1.00 0.00 O ATOM 286 CB LEU A 20 -0.240 12.182 -0.575 1.00 0.00 C ATOM 287 CG LEU A 20 1.183 12.557 -0.992 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.133 13.474 -2.215 1.00 0.00 C ATOM 289 CD2 LEU A 20 1.874 13.286 0.161 1.00 0.00 C ATOM 0 H LEU A 20 -1.880 13.331 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.198 11.082 -2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.795 13.077 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.214 11.533 0.300 1.00 0.00 H new ATOM 0 HG LEU A 20 1.739 11.653 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.147 13.741 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.639 12.957 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.577 14.379 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.888 13.554 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.316 14.190 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.910 12.634 1.034 1.00 0.00 H new ATOM 301 N SER A 21 -3.002 10.606 -0.781 1.00 0.00 N ATOM 302 CA SER A 21 -3.889 9.580 -0.249 1.00 0.00 C ATOM 303 C SER A 21 -4.276 8.590 -1.341 1.00 0.00 C ATOM 304 O SER A 21 -4.169 7.380 -1.158 1.00 0.00 O ATOM 305 CB SER A 21 -5.150 10.225 0.325 1.00 0.00 C ATOM 306 OG SER A 21 -5.842 9.274 1.122 1.00 0.00 O ATOM 0 H SER A 21 -3.402 11.544 -0.802 1.00 0.00 H new ATOM 0 HA SER A 21 -3.362 9.046 0.542 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.886 11.096 0.925 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.792 10.576 -0.482 1.00 0.00 H new ATOM 0 HG SER A 21 -6.651 9.685 1.493 1.00 0.00 H new ATOM 312 N LEU A 22 -4.731 9.108 -2.475 1.00 0.00 N ATOM 313 CA LEU A 22 -5.131 8.248 -3.583 1.00 0.00 C ATOM 314 C LEU A 22 -4.019 7.269 -3.935 1.00 0.00 C ATOM 315 O LEU A 22 -4.268 6.075 -4.110 1.00 0.00 O ATOM 316 CB LEU A 22 -5.468 9.096 -4.810 1.00 0.00 C ATOM 317 CG LEU A 22 -6.950 8.935 -5.153 1.00 0.00 C ATOM 318 CD1 LEU A 22 -7.805 9.432 -3.984 1.00 0.00 C ATOM 319 CD2 LEU A 22 -7.272 9.756 -6.403 1.00 0.00 C ATOM 0 H LEU A 22 -4.832 10.108 -2.652 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.012 7.685 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.241 10.144 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.853 8.790 -5.656 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.168 7.883 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.861 9.316 -4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.575 8.850 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.589 10.484 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.328 9.643 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.054 10.807 -6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.665 9.403 -7.236 1.00 0.00 H new ATOM 331 N ILE A 23 -2.798 7.777 -4.041 1.00 0.00 N ATOM 332 CA ILE A 23 -1.660 6.929 -4.376 1.00 0.00 C ATOM 333 C ILE A 23 -1.513 5.808 -3.353 1.00 0.00 C ATOM 334 O ILE A 23 -1.467 4.631 -3.709 1.00 0.00 O ATOM 335 CB ILE A 23 -0.377 7.775 -4.429 1.00 0.00 C ATOM 336 CG1 ILE A 23 -0.092 8.181 -5.877 1.00 0.00 C ATOM 337 CG2 ILE A 23 0.825 6.984 -3.888 1.00 0.00 C ATOM 338 CD1 ILE A 23 -1.322 8.863 -6.480 1.00 0.00 C ATOM 0 H ILE A 23 -2.571 8.762 -3.902 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.830 6.481 -5.355 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.525 8.660 -3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.763 8.856 -5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.172 7.302 -6.465 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.720 7.604 -3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.637 6.698 -2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.972 6.088 -4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.111 9.149 -7.510 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.166 8.174 -6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.566 9.753 -5.899 1.00 0.00 H new ATOM 350 N LEU A 24 -1.423 6.183 -2.082 1.00 0.00 N ATOM 351 CA LEU A 24 -1.262 5.205 -1.014 1.00 0.00 C ATOM 352 C LEU A 24 -2.418 4.218 -1.012 1.00 0.00 C ATOM 353 O LEU A 24 -2.232 3.030 -0.764 1.00 0.00 O ATOM 354 CB LEU A 24 -1.192 5.928 0.336 1.00 0.00 C ATOM 355 CG LEU A 24 0.271 6.071 0.770 1.00 0.00 C ATOM 356 CD1 LEU A 24 0.359 6.983 1.996 1.00 0.00 C ATOM 357 CD2 LEU A 24 0.850 4.696 1.123 1.00 0.00 C ATOM 0 H LEU A 24 -1.459 7.153 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.338 4.652 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.656 6.911 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.752 5.371 1.087 1.00 0.00 H new ATOM 0 HG LEU A 24 0.841 6.504 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.401 7.082 2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.042 7.966 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.219 6.551 2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.890 4.807 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.275 4.258 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.797 4.044 0.251 1.00 0.00 H new ATOM 369 N VAL A 25 -3.605 4.723 -1.295 1.00 0.00 N ATOM 370 CA VAL A 25 -4.792 3.881 -1.327 1.00 0.00 C ATOM 371 C VAL A 25 -4.689 2.865 -2.456 1.00 0.00 C ATOM 372 O VAL A 25 -4.853 1.664 -2.239 1.00 0.00 O ATOM 373 CB VAL A 25 -6.045 4.739 -1.518 1.00 0.00 C ATOM 374 CG1 VAL A 25 -7.260 3.830 -1.714 1.00 0.00 C ATOM 375 CG2 VAL A 25 -6.260 5.611 -0.278 1.00 0.00 C ATOM 0 H VAL A 25 -3.775 5.707 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.864 3.351 -0.377 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.919 5.375 -2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.153 4.440 -1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.109 3.206 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.385 3.195 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.152 6.222 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.386 4.974 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.395 6.258 -0.134 1.00 0.00 H new ATOM 385 N LEU A 26 -4.414 3.353 -3.659 1.00 0.00 N ATOM 386 CA LEU A 26 -4.288 2.479 -4.817 1.00 0.00 C ATOM 387 C LEU A 26 -3.158 1.475 -4.608 1.00 0.00 C ATOM 388 O LEU A 26 -3.324 0.280 -4.854 1.00 0.00 O ATOM 389 CB LEU A 26 -4.008 3.308 -6.070 1.00 0.00 C ATOM 390 CG LEU A 26 -5.328 3.775 -6.683 1.00 0.00 C ATOM 391 CD1 LEU A 26 -5.114 5.100 -7.416 1.00 0.00 C ATOM 392 CD2 LEU A 26 -5.829 2.720 -7.672 1.00 0.00 C ATOM 0 H LEU A 26 -4.275 4.344 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.225 1.937 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.388 4.168 -5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.450 2.714 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.066 3.915 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.057 5.431 -7.852 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.756 5.852 -6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.376 4.963 -8.207 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.770 3.051 -8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.090 2.581 -8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.984 1.776 -7.150 1.00 0.00 H new ATOM 404 N ILE A 27 -2.011 1.967 -4.155 1.00 0.00 N ATOM 405 CA ILE A 27 -0.862 1.100 -3.921 1.00 0.00 C ATOM 406 C ILE A 27 -1.195 0.051 -2.866 1.00 0.00 C ATOM 407 O ILE A 27 -0.995 -1.144 -3.081 1.00 0.00 O ATOM 408 CB ILE A 27 0.341 1.929 -3.457 1.00 0.00 C ATOM 409 CG1 ILE A 27 1.064 2.511 -4.678 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.305 1.053 -2.651 1.00 0.00 C ATOM 411 CD1 ILE A 27 2.097 1.513 -5.212 1.00 0.00 C ATOM 0 H ILE A 27 -1.852 2.952 -3.944 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.614 0.599 -4.856 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.010 2.742 -2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.341 2.748 -5.458 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.557 3.444 -4.406 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.156 1.652 -2.326 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.789 0.652 -1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.657 0.231 -3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.602 1.940 -6.078 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.830 1.297 -4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.595 0.590 -5.503 1.00 0.00 H new ATOM 423 N SER A 28 -1.693 0.507 -1.723 1.00 0.00 N ATOM 424 CA SER A 28 -2.038 -0.407 -0.642 1.00 0.00 C ATOM 425 C SER A 28 -2.959 -1.512 -1.147 1.00 0.00 C ATOM 426 O SER A 28 -2.785 -2.684 -0.809 1.00 0.00 O ATOM 427 CB SER A 28 -2.724 0.357 0.489 1.00 0.00 C ATOM 428 OG SER A 28 -1.806 1.289 1.047 1.00 0.00 O ATOM 0 H SER A 28 -1.865 1.492 -1.522 1.00 0.00 H new ATOM 0 HA SER A 28 -1.120 -0.860 -0.268 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.604 0.877 0.111 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.068 -0.337 1.256 1.00 0.00 H new ATOM 0 HG SER A 28 -1.965 2.176 0.661 1.00 0.00 H new ATOM 434 N LEU A 29 -3.938 -1.129 -1.959 1.00 0.00 N ATOM 435 CA LEU A 29 -4.884 -2.092 -2.508 1.00 0.00 C ATOM 436 C LEU A 29 -4.162 -3.132 -3.358 1.00 0.00 C ATOM 437 O LEU A 29 -4.416 -4.331 -3.241 1.00 0.00 O ATOM 438 CB LEU A 29 -5.928 -1.367 -3.363 1.00 0.00 C ATOM 439 CG LEU A 29 -7.133 -0.995 -2.497 1.00 0.00 C ATOM 440 CD1 LEU A 29 -7.840 0.220 -3.103 1.00 0.00 C ATOM 441 CD2 LEU A 29 -8.105 -2.176 -2.445 1.00 0.00 C ATOM 0 H LEU A 29 -4.097 -0.164 -2.250 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.379 -2.599 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.493 -0.470 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.244 -2.005 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.797 -0.755 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.699 0.486 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.148 1.061 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.177 -0.021 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.964 -1.913 -1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.442 -2.415 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.602 -3.043 -2.016 1.00 0.00 H new ATOM 453 N LEU A 30 -3.258 -2.667 -4.212 1.00 0.00 N ATOM 454 CA LEU A 30 -2.505 -3.569 -5.074 1.00 0.00 C ATOM 455 C LEU A 30 -1.645 -4.515 -4.243 1.00 0.00 C ATOM 456 O LEU A 30 -1.595 -5.716 -4.509 1.00 0.00 O ATOM 457 CB LEU A 30 -1.614 -2.762 -6.022 1.00 0.00 C ATOM 458 CG LEU A 30 -1.115 -3.668 -7.150 1.00 0.00 C ATOM 459 CD1 LEU A 30 -2.009 -3.493 -8.378 1.00 0.00 C ATOM 460 CD2 LEU A 30 0.325 -3.289 -7.515 1.00 0.00 C ATOM 0 H LEU A 30 -3.030 -1.679 -4.326 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.212 -4.160 -5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.172 -1.922 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.768 -2.344 -5.476 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.146 -4.706 -6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.654 -4.138 -9.182 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.034 -3.762 -8.123 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.977 -2.454 -8.706 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.679 -3.935 -8.318 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.356 -2.250 -7.845 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.966 -3.412 -6.642 1.00 0.00 H new ATOM 472 N LEU A 31 -0.972 -3.966 -3.235 1.00 0.00 N ATOM 473 CA LEU A 31 -0.116 -4.767 -2.371 1.00 0.00 C ATOM 474 C LEU A 31 -0.911 -5.899 -1.730 1.00 0.00 C ATOM 475 O LEU A 31 -0.446 -7.037 -1.660 1.00 0.00 O ATOM 476 CB LEU A 31 0.497 -3.883 -1.284 1.00 0.00 C ATOM 477 CG LEU A 31 1.322 -4.748 -0.332 1.00 0.00 C ATOM 478 CD1 LEU A 31 2.650 -4.053 -0.022 1.00 0.00 C ATOM 479 CD2 LEU A 31 0.543 -4.956 0.968 1.00 0.00 C ATOM 0 H LEU A 31 -1.004 -2.974 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 31 0.680 -5.200 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.127 -3.117 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.289 -3.366 -0.734 1.00 0.00 H new ATOM 0 HG LEU A 31 1.520 -5.712 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.235 -4.673 0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.207 -3.903 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.455 -3.088 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.129 -5.573 1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.346 -3.990 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.402 -5.454 0.750 1.00 0.00 H new ATOM 491 N THR A 32 -2.113 -5.574 -1.263 1.00 0.00 N ATOM 492 CA THR A 32 -2.968 -6.569 -0.629 1.00 0.00 C ATOM 493 C THR A 32 -3.403 -7.617 -1.647 1.00 0.00 C ATOM 494 O THR A 32 -3.387 -8.812 -1.364 1.00 0.00 O ATOM 495 CB THR A 32 -4.202 -5.893 -0.029 1.00 0.00 C ATOM 496 OG1 THR A 32 -4.449 -4.669 -0.707 1.00 0.00 O ATOM 497 CG2 THR A 32 -3.962 -5.613 1.456 1.00 0.00 C ATOM 0 H THR A 32 -2.513 -4.637 -1.311 1.00 0.00 H new ATOM 0 HA THR A 32 -2.403 -7.058 0.165 1.00 0.00 H new ATOM 0 HB THR A 32 -5.064 -6.551 -0.139 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.721 -4.855 -1.630 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.842 -5.131 1.882 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.774 -6.551 1.977 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.099 -4.956 1.568 1.00 0.00 H new ATOM 505 N VAL A 33 -3.792 -7.160 -2.831 1.00 0.00 N ATOM 506 CA VAL A 33 -4.232 -8.072 -3.882 1.00 0.00 C ATOM 507 C VAL A 33 -3.156 -9.109 -4.187 1.00 0.00 C ATOM 508 O VAL A 33 -3.442 -10.300 -4.299 1.00 0.00 O ATOM 509 CB VAL A 33 -4.556 -7.287 -5.152 1.00 0.00 C ATOM 510 CG1 VAL A 33 -4.890 -8.261 -6.283 1.00 0.00 C ATOM 511 CG2 VAL A 33 -5.759 -6.376 -4.896 1.00 0.00 C ATOM 0 H VAL A 33 -3.812 -6.173 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.126 -8.588 -3.532 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.694 -6.683 -5.434 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.121 -7.701 -7.189 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.035 -8.912 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.752 -8.865 -6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.990 -5.816 -5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.620 -6.981 -4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.524 -5.681 -4.090 1.00 0.00 H new ATOM 521 N LEU A 34 -1.920 -8.650 -4.328 1.00 0.00 N ATOM 522 CA LEU A 34 -0.811 -9.550 -4.627 1.00 0.00 C ATOM 523 C LEU A 34 -0.678 -10.626 -3.556 1.00 0.00 C ATOM 524 O LEU A 34 -0.614 -11.817 -3.861 1.00 0.00 O ATOM 525 CB LEU A 34 0.481 -8.751 -4.679 1.00 0.00 C ATOM 526 CG LEU A 34 0.543 -7.949 -5.987 1.00 0.00 C ATOM 527 CD1 LEU A 34 1.261 -6.617 -5.753 1.00 0.00 C ATOM 528 CD2 LEU A 34 1.309 -8.749 -7.043 1.00 0.00 C ATOM 0 H LEU A 34 -1.659 -7.668 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.006 -10.029 -5.586 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.537 -8.076 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.337 -9.422 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.473 -7.757 -6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.300 -6.056 -6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.720 -6.039 -5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.275 -6.807 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.352 -8.179 -7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.321 -8.943 -6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.800 -9.696 -7.222 1.00 0.00 H new ATOM 540 N ALA A 35 -0.634 -10.197 -2.298 1.00 0.00 N ATOM 541 CA ALA A 35 -0.506 -11.132 -1.190 1.00 0.00 C ATOM 542 C ALA A 35 -1.706 -12.063 -1.158 1.00 0.00 C ATOM 543 O ALA A 35 -1.597 -13.230 -0.776 1.00 0.00 O ATOM 544 CB ALA A 35 -0.407 -10.374 0.137 1.00 0.00 C ATOM 0 H ALA A 35 -0.685 -9.216 -2.024 1.00 0.00 H new ATOM 0 HA ALA A 35 0.402 -11.718 -1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.312 -11.086 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.466 -9.722 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.305 -9.773 0.281 1.00 0.00 H new ATOM 550 N LEU A 36 -2.853 -11.534 -1.566 1.00 0.00 N ATOM 551 CA LEU A 36 -4.083 -12.323 -1.579 1.00 0.00 C ATOM 552 C LEU A 36 -4.033 -13.383 -2.674 1.00 0.00 C ATOM 553 O LEU A 36 -4.376 -14.543 -2.446 1.00 0.00 O ATOM 554 CB LEU A 36 -5.296 -11.416 -1.804 1.00 0.00 C ATOM 555 CG LEU A 36 -6.552 -12.096 -1.252 1.00 0.00 C ATOM 556 CD1 LEU A 36 -6.704 -11.781 0.240 1.00 0.00 C ATOM 557 CD2 LEU A 36 -7.780 -11.581 -2.005 1.00 0.00 C ATOM 0 H LEU A 36 -2.959 -10.573 -1.889 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.176 -12.817 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.142 -10.456 -1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.418 -11.211 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.463 -13.174 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.600 -12.268 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.831 -12.147 0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.790 -10.703 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.676 -12.064 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.862 -10.502 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.679 -11.810 -3.066 1.00 0.00 H new ATOM 569 N LEU A 37 -3.603 -12.976 -3.863 1.00 0.00 N ATOM 570 CA LEU A 37 -3.513 -13.896 -4.989 1.00 0.00 C ATOM 571 C LEU A 37 -2.439 -14.948 -4.730 1.00 0.00 C ATOM 572 O LEU A 37 -2.617 -16.123 -5.056 1.00 0.00 O ATOM 573 CB LEU A 37 -3.179 -13.123 -6.266 1.00 0.00 C ATOM 574 CG LEU A 37 -4.374 -13.161 -7.221 1.00 0.00 C ATOM 575 CD1 LEU A 37 -4.132 -12.191 -8.381 1.00 0.00 C ATOM 576 CD2 LEU A 37 -4.539 -14.578 -7.772 1.00 0.00 C ATOM 0 H LEU A 37 -3.313 -12.020 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.474 -14.396 -5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.929 -12.090 -6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.303 -13.558 -6.747 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.277 -12.869 -6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.983 -12.218 -9.061 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.011 -11.180 -7.991 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.229 -12.483 -8.917 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.390 -14.607 -8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.635 -14.867 -8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.710 -15.271 -6.948 1.00 0.00 H new ATOM 588 N SER A 38 -1.326 -14.522 -4.144 1.00 0.00 N ATOM 589 CA SER A 38 -0.233 -15.438 -3.848 1.00 0.00 C ATOM 590 C SER A 38 -0.710 -16.563 -2.937 1.00 0.00 C ATOM 591 O SER A 38 -0.396 -17.731 -3.159 1.00 0.00 O ATOM 592 CB SER A 38 0.913 -14.684 -3.177 1.00 0.00 C ATOM 593 OG SER A 38 2.119 -15.420 -3.338 1.00 0.00 O ATOM 0 H SER A 38 -1.158 -13.555 -3.866 1.00 0.00 H new ATOM 0 HA SER A 38 0.119 -15.870 -4.785 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.018 -13.692 -3.617 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.699 -14.542 -2.118 1.00 0.00 H new ATOM 0 HG SER A 38 2.856 -14.937 -2.910 1.00 0.00 H new ATOM 599 N HIS A 39 -1.471 -16.203 -1.908 1.00 0.00 N ATOM 600 CA HIS A 39 -1.983 -17.194 -0.969 1.00 0.00 C ATOM 601 C HIS A 39 -2.950 -18.145 -1.666 1.00 0.00 C ATOM 602 O HIS A 39 -2.858 -19.364 -1.508 1.00 0.00 O ATOM 603 CB HIS A 39 -2.698 -16.495 0.190 1.00 0.00 C ATOM 604 CG HIS A 39 -1.850 -16.576 1.430 1.00 0.00 C ATOM 605 ND1 HIS A 39 -1.228 -17.751 1.825 1.00 0.00 N ATOM 606 CD2 HIS A 39 -1.507 -15.638 2.371 1.00 0.00 C ATOM 607 CE1 HIS A 39 -0.551 -17.490 2.958 1.00 0.00 C ATOM 608 NE2 HIS A 39 -0.688 -16.217 3.335 1.00 0.00 N ATOM 0 H HIS A 39 -1.745 -15.242 -1.705 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.141 -17.769 -0.583 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.890 -15.452 -0.064 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.666 -16.963 0.368 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.825 -14.606 2.364 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.032 -18.222 3.497 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -0.280 -15.766 4.154 1.00 0.00 H new ATOM 616 N ARG A 40 -3.876 -17.580 -2.435 1.00 0.00 N ATOM 617 CA ARG A 40 -4.857 -18.387 -3.149 1.00 0.00 C ATOM 618 C ARG A 40 -4.159 -19.377 -4.077 1.00 0.00 C ATOM 619 O ARG A 40 -4.570 -20.531 -4.192 1.00 0.00 O ATOM 620 CB ARG A 40 -5.784 -17.483 -3.968 1.00 0.00 C ATOM 621 CG ARG A 40 -7.198 -17.525 -3.382 1.00 0.00 C ATOM 622 CD ARG A 40 -8.132 -16.676 -4.246 1.00 0.00 C ATOM 623 NE ARG A 40 -8.837 -15.701 -3.421 1.00 0.00 N ATOM 624 CZ ARG A 40 -9.315 -14.576 -3.943 1.00 0.00 C ATOM 625 NH1 ARG A 40 -9.158 -14.328 -5.214 1.00 0.00 N ATOM 626 NH2 ARG A 40 -9.942 -13.719 -3.183 1.00 0.00 N ATOM 0 H ARG A 40 -3.967 -16.574 -2.578 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.446 -18.941 -2.418 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.408 -16.460 -3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.801 -17.810 -5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.556 -18.554 -3.342 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.191 -17.150 -2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.558 -16.163 -5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.850 -17.318 -4.756 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.965 -15.886 -2.426 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.668 -14.998 -5.808 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.525 -13.465 -5.614 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.065 -13.913 -2.189 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.309 -12.856 -3.583 1.00 0.00 H new ATOM 640 N ARG A 41 -3.099 -18.918 -4.735 1.00 0.00 N ATOM 641 CA ARG A 41 -2.353 -19.773 -5.648 1.00 0.00 C ATOM 642 C ARG A 41 -1.711 -20.932 -4.893 1.00 0.00 C ATOM 643 O ARG A 41 -1.748 -22.077 -5.347 1.00 0.00 O ATOM 644 CB ARG A 41 -1.269 -18.960 -6.357 1.00 0.00 C ATOM 645 CG ARG A 41 -1.907 -18.094 -7.443 1.00 0.00 C ATOM 646 CD ARG A 41 -0.924 -17.008 -7.875 1.00 0.00 C ATOM 647 NE ARG A 41 -1.503 -16.194 -8.938 1.00 0.00 N ATOM 648 CZ ARG A 41 -1.011 -14.995 -9.231 1.00 0.00 C ATOM 649 NH1 ARG A 41 0.009 -14.527 -8.565 1.00 0.00 N ATOM 650 NH2 ARG A 41 -1.547 -14.286 -10.187 1.00 0.00 N ATOM 0 H ARG A 41 -2.740 -17.967 -4.653 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.046 -20.175 -6.387 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.743 -18.331 -5.638 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.529 -19.628 -6.798 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.183 -18.710 -8.299 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.824 -17.640 -7.068 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.670 -16.378 -7.023 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.003 -17.464 -8.221 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.299 -16.551 -9.466 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.429 -15.082 -7.819 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.386 -13.607 -8.790 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.343 -14.652 -10.709 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.170 -13.366 -10.412 1.00 0.00 H new ATOM 664 N THR A 42 -1.122 -20.628 -3.741 1.00 0.00 N ATOM 665 CA THR A 42 -0.475 -21.654 -2.930 1.00 0.00 C ATOM 666 C THR A 42 -1.445 -22.792 -2.632 1.00 0.00 C ATOM 667 O THR A 42 -1.114 -23.965 -2.810 1.00 0.00 O ATOM 668 CB THR A 42 0.020 -21.044 -1.615 1.00 0.00 C ATOM 669 OG1 THR A 42 0.533 -19.742 -1.862 1.00 0.00 O ATOM 670 CG2 THR A 42 1.121 -21.926 -1.025 1.00 0.00 C ATOM 0 H THR A 42 -1.079 -19.687 -3.350 1.00 0.00 H new ATOM 0 HA THR A 42 0.373 -22.052 -3.488 1.00 0.00 H new ATOM 0 HB THR A 42 -0.808 -20.980 -0.909 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.209 -19.126 -2.036 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.473 -21.492 -0.089 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.725 -22.924 -0.836 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.951 -21.992 -1.729 1.00 0.00 H new ATOM 678 N LEU A 43 -2.642 -22.438 -2.177 1.00 0.00 N ATOM 679 CA LEU A 43 -3.652 -23.441 -1.857 1.00 0.00 C ATOM 680 C LEU A 43 -4.077 -24.194 -3.113 1.00 0.00 C ATOM 681 O LEU A 43 -4.234 -25.415 -3.093 1.00 0.00 O ATOM 682 CB LEU A 43 -4.873 -22.768 -1.225 1.00 0.00 C ATOM 683 CG LEU A 43 -5.157 -23.401 0.139 1.00 0.00 C ATOM 684 CD1 LEU A 43 -6.343 -22.690 0.794 1.00 0.00 C ATOM 685 CD2 LEU A 43 -5.493 -24.883 -0.049 1.00 0.00 C ATOM 0 H LEU A 43 -2.935 -21.473 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.222 -24.151 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.694 -21.699 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.740 -22.878 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.278 -23.304 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.546 -23.140 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.107 -21.634 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.223 -22.788 0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.696 -25.336 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.373 -24.979 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.650 -25.391 -0.517 1.00 0.00 H new ATOM 697 N GLN A 44 -4.256 -23.458 -4.205 1.00 0.00 N ATOM 698 CA GLN A 44 -4.661 -24.068 -5.465 1.00 0.00 C ATOM 699 C GLN A 44 -3.634 -25.102 -5.916 1.00 0.00 C ATOM 700 O GLN A 44 -3.989 -26.206 -6.325 1.00 0.00 O ATOM 701 CB GLN A 44 -4.808 -22.992 -6.542 1.00 0.00 C ATOM 702 CG GLN A 44 -6.032 -23.299 -7.408 1.00 0.00 C ATOM 703 CD GLN A 44 -7.309 -22.969 -6.643 1.00 0.00 C ATOM 704 OE1 GLN A 44 -7.250 -22.553 -5.486 1.00 0.00 O ATOM 705 NE2 GLN A 44 -8.466 -23.131 -7.223 1.00 0.00 N ATOM 0 H GLN A 44 -4.128 -22.447 -4.243 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.619 -24.566 -5.314 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.914 -22.011 -6.079 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.911 -22.957 -7.161 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.990 -22.719 -8.330 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.031 -24.351 -7.693 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.512 -23.476 -8.182 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.325 -22.913 -6.718 1.00 0.00 H new ATOM 714 N GLN A 45 -2.358 -24.739 -5.836 1.00 0.00 N ATOM 715 CA GLN A 45 -1.290 -25.645 -6.241 1.00 0.00 C ATOM 716 C GLN A 45 -1.331 -26.927 -5.416 1.00 0.00 C ATOM 717 O GLN A 45 -1.221 -28.029 -5.956 1.00 0.00 O ATOM 718 CB GLN A 45 0.068 -24.965 -6.060 1.00 0.00 C ATOM 719 CG GLN A 45 0.846 -25.023 -7.376 1.00 0.00 C ATOM 720 CD GLN A 45 2.254 -24.473 -7.173 1.00 0.00 C ATOM 721 OE1 GLN A 45 2.423 -23.288 -6.888 1.00 0.00 O ATOM 722 NE2 GLN A 45 3.280 -25.269 -7.302 1.00 0.00 N ATOM 0 H GLN A 45 -2.040 -23.831 -5.497 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.434 -25.898 -7.291 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.070 -23.929 -5.752 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.632 -25.460 -5.269 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.896 -26.051 -7.733 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.327 -24.445 -8.141 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.137 -26.251 -7.538 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.225 -24.909 -7.166 1.00 0.00 H new ATOM 731 N LYS A 46 -1.490 -26.777 -4.106 1.00 0.00 N ATOM 732 CA LYS A 46 -1.542 -27.932 -3.218 1.00 0.00 C ATOM 733 C LYS A 46 -2.743 -28.812 -3.550 1.00 0.00 C ATOM 734 O LYS A 46 -2.638 -30.037 -3.584 1.00 0.00 O ATOM 735 CB LYS A 46 -1.634 -27.469 -1.763 1.00 0.00 C ATOM 736 CG LYS A 46 -0.252 -27.029 -1.280 1.00 0.00 C ATOM 737 CD LYS A 46 -0.403 -26.104 -0.068 1.00 0.00 C ATOM 738 CE LYS A 46 0.976 -25.802 0.518 1.00 0.00 C ATOM 739 NZ LYS A 46 1.673 -27.082 0.834 1.00 0.00 N ATOM 0 H LYS A 46 -1.584 -25.875 -3.639 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.631 -28.514 -3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.341 -26.644 -1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.010 -28.277 -1.136 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.346 -27.900 -1.013 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.277 -26.513 -2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.895 -25.177 -0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.035 -26.574 0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.565 -25.220 -0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.875 -25.198 1.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.399 -26.912 1.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.983 -27.774 1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.124 -27.454 -0.027 1.00 0.00 H new ATOM 753 N ILE A 47 -3.888 -28.178 -3.793 1.00 0.00 N ATOM 754 CA ILE A 47 -5.103 -28.918 -4.117 1.00 0.00 C ATOM 755 C ILE A 47 -4.969 -29.604 -5.474 1.00 0.00 C ATOM 756 O ILE A 47 -5.426 -30.733 -5.654 1.00 0.00 O ATOM 757 CB ILE A 47 -6.303 -27.968 -4.138 1.00 0.00 C ATOM 758 CG1 ILE A 47 -6.508 -27.366 -2.740 1.00 0.00 C ATOM 759 CG2 ILE A 47 -7.557 -28.732 -4.569 1.00 0.00 C ATOM 760 CD1 ILE A 47 -7.402 -28.271 -1.887 1.00 0.00 C ATOM 0 H ILE A 47 -3.999 -27.164 -3.772 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.256 -29.680 -3.353 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.116 -27.163 -4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.543 -27.234 -2.250 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.960 -26.378 -2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.410 -28.053 -4.583 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.406 -29.146 -5.566 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.749 -29.542 -3.865 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.534 -27.826 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.373 -28.381 -2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.935 -29.250 -1.784 1.00 0.00 H new ATOM 772 N TRP A 48 -4.339 -28.918 -6.421 1.00 0.00 N ATOM 773 CA TRP A 48 -4.149 -29.472 -7.756 1.00 0.00 C ATOM 774 C TRP A 48 -2.716 -29.250 -8.230 1.00 0.00 C ATOM 775 O TRP A 48 -2.457 -28.387 -9.067 1.00 0.00 O ATOM 776 CB TRP A 48 -5.121 -28.815 -8.734 1.00 0.00 C ATOM 777 CG TRP A 48 -6.412 -29.567 -8.728 1.00 0.00 C ATOM 778 CD1 TRP A 48 -7.597 -29.071 -8.303 1.00 0.00 C ATOM 779 CD2 TRP A 48 -6.671 -30.935 -9.159 1.00 0.00 C ATOM 780 NE1 TRP A 48 -8.567 -30.048 -8.445 1.00 0.00 N ATOM 781 CE2 TRP A 48 -8.044 -31.214 -8.970 1.00 0.00 C ATOM 782 CE3 TRP A 48 -5.854 -31.949 -9.692 1.00 0.00 C ATOM 783 CZ2 TRP A 48 -8.590 -32.457 -9.295 1.00 0.00 C ATOM 784 CZ3 TRP A 48 -6.400 -33.201 -10.021 1.00 0.00 C ATOM 785 CH2 TRP A 48 -7.764 -33.453 -9.823 1.00 0.00 C ATOM 0 H TRP A 48 -3.953 -27.983 -6.290 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.343 -30.544 -7.716 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.291 -27.776 -8.453 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.696 -28.808 -9.738 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -7.759 -28.076 -7.916 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -9.547 -29.923 -8.193 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.802 -31.764 -9.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.642 -32.647 -9.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -5.765 -33.973 -10.429 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -8.177 -34.418 -10.079 1.00 0.00 H new ATOM 796 N PRO A 49 -1.790 -30.009 -7.704 1.00 0.00 N ATOM 797 CA PRO A 49 -0.349 -29.902 -8.077 1.00 0.00 C ATOM 798 C PRO A 49 -0.132 -30.038 -9.582 1.00 0.00 C ATOM 799 O PRO A 49 0.822 -29.462 -10.077 1.00 0.00 O ATOM 800 CB PRO A 49 0.316 -31.059 -7.321 1.00 0.00 C ATOM 801 CG PRO A 49 -0.615 -31.390 -6.202 1.00 0.00 C ATOM 802 CD PRO A 49 -2.019 -31.059 -6.702 1.00 0.00 C ATOM 0 HA PRO A 49 0.066 -28.928 -7.818 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.467 -31.919 -7.973 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.297 -30.769 -6.943 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.537 -32.443 -5.930 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.373 -30.811 -5.311 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.505 -31.931 -7.139 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.660 -30.709 -5.893 1.00 0.00 H new TER 810 PRO A 49