USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 603 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 129:sc= -0.173 (180deg=-1.05) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -26:sc= 0.773 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 18:sc= 1.25 USER MOD Single : A 15 LYS NZ :NH3+ 161:sc= -0.014 (180deg=-0.212) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.153 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0771 X(o=-0.077,f=-0.07) USER MOD Single : A 30 ASN : amide:sc= -0.816 K(o=-0.82,f=-1.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0419 USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 0.668 (180deg=0.659) USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= -0.265 (180deg=-0.687) USER MOD Single : A 47 LYS NZ :NH3+ 149:sc= -0.547 (180deg=-2.5!) USER MOD Single : A 48 MET CE :methyl -151:sc= -4.7! (180deg=-4.84!) USER MOD Single : A 52 ASN : amide:sc=-0.00102 X(o=-0.001,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 167:sc= 0 (180deg=-0.214) USER MOD Single : A 62 MET CE :methyl -157:sc= -0.967 (180deg=-1.95) USER MOD Single : A 66 THR OG1 : rot 84:sc= 0.864 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -167:sc= -2.2! (180deg=-2.37) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.762 -3.446 -5.527 1.00 0.00 N ATOM 2 CA MET A 1 -15.785 -2.378 -5.348 1.00 0.00 C ATOM 3 C MET A 1 -15.100 -1.010 -5.359 1.00 0.00 C ATOM 4 O MET A 1 -14.405 -0.645 -4.431 1.00 0.00 O ATOM 5 CB MET A 1 -16.503 -2.578 -4.012 1.00 0.00 C ATOM 6 CG MET A 1 -18.008 -2.381 -4.204 1.00 0.00 C ATOM 7 SD MET A 1 -18.660 -3.708 -5.249 1.00 0.00 S ATOM 8 CE MET A 1 -18.526 -5.042 -4.034 1.00 0.00 C ATOM 0 H1 MET A 1 -15.227 -4.376 -5.520 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.273 -3.310 -6.435 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.071 -3.398 -4.751 1.00 0.00 H new ATOM 0 HA MET A 1 -16.510 -2.429 -6.161 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.303 -3.578 -3.626 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.124 -1.870 -3.275 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.512 -2.383 -3.238 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.203 -1.412 -4.663 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.479 -5.567 -3.964 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.749 -5.740 -4.345 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.270 -4.623 -3.061 1.00 0.00 H new ATOM 20 N THR A 2 -15.289 -0.250 -6.403 1.00 0.00 N ATOM 21 CA THR A 2 -14.648 1.093 -6.472 1.00 0.00 C ATOM 22 C THR A 2 -15.620 2.149 -5.940 1.00 0.00 C ATOM 23 O THR A 2 -16.774 2.190 -6.318 1.00 0.00 O ATOM 24 CB THR A 2 -14.291 1.414 -7.925 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.853 2.762 -8.018 1.00 0.00 O ATOM 26 CG2 THR A 2 -15.523 1.213 -8.811 1.00 0.00 C ATOM 0 H THR A 2 -15.859 -0.501 -7.211 1.00 0.00 H new ATOM 0 HA THR A 2 -13.742 1.095 -5.867 1.00 0.00 H new ATOM 0 HB THR A 2 -13.494 0.750 -8.258 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.623 2.968 -8.948 1.00 0.00 H new ATOM 0 HG21 THR A 2 -15.268 1.442 -9.846 1.00 0.00 H new ATOM 0 HG22 THR A 2 -15.857 0.178 -8.740 1.00 0.00 H new ATOM 0 HG23 THR A 2 -16.322 1.876 -8.479 1.00 0.00 H new ATOM 34 N PHE A 3 -15.165 3.002 -5.063 1.00 0.00 N ATOM 35 CA PHE A 3 -16.066 4.050 -4.509 1.00 0.00 C ATOM 36 C PHE A 3 -15.230 5.166 -3.880 1.00 0.00 C ATOM 37 O PHE A 3 -14.103 4.959 -3.475 1.00 0.00 O ATOM 38 CB PHE A 3 -16.971 3.427 -3.443 1.00 0.00 C ATOM 39 CG PHE A 3 -18.123 4.359 -3.150 1.00 0.00 C ATOM 40 CD1 PHE A 3 -19.238 4.382 -3.997 1.00 0.00 C ATOM 41 CD2 PHE A 3 -18.077 5.199 -2.030 1.00 0.00 C ATOM 42 CE1 PHE A 3 -20.306 5.245 -3.724 1.00 0.00 C ATOM 43 CE2 PHE A 3 -19.145 6.061 -1.757 1.00 0.00 C ATOM 44 CZ PHE A 3 -20.260 6.085 -2.605 1.00 0.00 C ATOM 0 H PHE A 3 -14.209 3.018 -4.707 1.00 0.00 H new ATOM 0 HA PHE A 3 -16.677 4.465 -5.311 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -17.348 2.464 -3.788 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -16.402 3.239 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -19.274 3.734 -4.860 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -17.217 5.181 -1.377 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -21.166 5.263 -4.377 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -19.110 6.708 -0.893 1.00 0.00 H new ATOM 0 HZ PHE A 3 -21.084 6.751 -2.396 1.00 0.00 H new ATOM 54 N ILE A 4 -15.774 6.349 -3.792 1.00 0.00 N ATOM 55 CA ILE A 4 -15.014 7.479 -3.188 1.00 0.00 C ATOM 56 C ILE A 4 -13.859 7.867 -4.121 1.00 0.00 C ATOM 57 O ILE A 4 -13.131 7.026 -4.611 1.00 0.00 O ATOM 58 CB ILE A 4 -14.496 7.049 -1.797 1.00 0.00 C ATOM 59 CG1 ILE A 4 -15.295 7.786 -0.720 1.00 0.00 C ATOM 60 CG2 ILE A 4 -13.005 7.377 -1.626 1.00 0.00 C ATOM 61 CD1 ILE A 4 -15.093 7.098 0.630 1.00 0.00 C ATOM 0 H ILE A 4 -16.714 6.582 -4.113 1.00 0.00 H new ATOM 0 HA ILE A 4 -15.656 8.351 -3.062 1.00 0.00 H new ATOM 0 HB ILE A 4 -14.621 5.970 -1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -14.973 8.826 -0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -16.353 7.795 -0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -12.674 7.061 -0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -12.427 6.852 -2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -12.854 8.451 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -15.663 7.625 1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -15.437 6.066 0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -14.035 7.113 0.891 1.00 0.00 H new ATOM 73 N THR A 5 -13.688 9.137 -4.363 1.00 0.00 N ATOM 74 CA THR A 5 -12.584 9.586 -5.257 1.00 0.00 C ATOM 75 C THR A 5 -11.616 10.467 -4.464 1.00 0.00 C ATOM 76 O THR A 5 -10.658 10.988 -4.999 1.00 0.00 O ATOM 77 CB THR A 5 -13.165 10.391 -6.421 1.00 0.00 C ATOM 78 OG1 THR A 5 -12.114 10.792 -7.288 1.00 0.00 O ATOM 79 CG2 THR A 5 -13.884 11.626 -5.878 1.00 0.00 C ATOM 0 H THR A 5 -14.266 9.885 -3.980 1.00 0.00 H new ATOM 0 HA THR A 5 -12.054 8.716 -5.645 1.00 0.00 H new ATOM 0 HB THR A 5 -13.875 9.775 -6.973 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.275 10.839 -6.784 1.00 0.00 H new ATOM 0 HG21 THR A 5 -14.298 12.200 -6.707 1.00 0.00 H new ATOM 0 HG22 THR A 5 -14.690 11.315 -5.214 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.177 12.245 -5.326 1.00 0.00 H new ATOM 87 N LYS A 6 -11.857 10.637 -3.192 1.00 0.00 N ATOM 88 CA LYS A 6 -10.948 11.485 -2.371 1.00 0.00 C ATOM 89 C LYS A 6 -9.821 10.619 -1.807 1.00 0.00 C ATOM 90 O LYS A 6 -9.697 10.454 -0.612 1.00 0.00 O ATOM 91 CB LYS A 6 -11.734 12.110 -1.217 1.00 0.00 C ATOM 92 CG LYS A 6 -11.471 13.615 -1.180 1.00 0.00 C ATOM 93 CD LYS A 6 -12.412 14.318 -2.159 1.00 0.00 C ATOM 94 CE LYS A 6 -13.642 14.826 -1.406 1.00 0.00 C ATOM 95 NZ LYS A 6 -13.492 16.283 -1.135 1.00 0.00 N ATOM 0 H LYS A 6 -12.642 10.226 -2.687 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.527 12.275 -2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.800 11.919 -1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.438 11.655 -0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.625 13.998 -0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.434 13.821 -1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.898 15.150 -2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.714 13.629 -2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.542 14.645 -1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.759 14.281 -0.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.328 16.629 -0.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.642 16.443 -0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.401 16.796 -2.035 1.00 0.00 H new ATOM 109 N THR A 7 -9.003 10.068 -2.663 1.00 0.00 N ATOM 110 CA THR A 7 -7.879 9.209 -2.188 1.00 0.00 C ATOM 111 C THR A 7 -8.410 8.141 -1.221 1.00 0.00 C ATOM 112 O THR A 7 -8.721 8.437 -0.085 1.00 0.00 O ATOM 113 CB THR A 7 -6.834 10.072 -1.474 1.00 0.00 C ATOM 114 OG1 THR A 7 -7.409 10.651 -0.311 1.00 0.00 O ATOM 115 CG2 THR A 7 -6.356 11.178 -2.416 1.00 0.00 C ATOM 0 H THR A 7 -9.065 10.176 -3.675 1.00 0.00 H new ATOM 0 HA THR A 7 -7.419 8.719 -3.046 1.00 0.00 H new ATOM 0 HB THR A 7 -5.986 9.451 -1.186 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.225 10.163 -0.072 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.612 11.792 -1.908 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.912 10.731 -3.306 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.203 11.800 -2.707 1.00 0.00 H new ATOM 123 N PRO A 8 -8.491 6.924 -1.699 1.00 0.00 N ATOM 124 CA PRO A 8 -8.975 5.789 -0.892 1.00 0.00 C ATOM 125 C PRO A 8 -7.902 5.370 0.118 1.00 0.00 C ATOM 126 O PRO A 8 -6.819 5.921 0.126 1.00 0.00 O ATOM 127 CB PRO A 8 -9.232 4.693 -1.934 1.00 0.00 C ATOM 128 CG PRO A 8 -8.380 5.056 -3.169 1.00 0.00 C ATOM 129 CD PRO A 8 -8.097 6.564 -3.077 1.00 0.00 C ATOM 0 HA PRO A 8 -9.865 6.015 -0.305 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.953 3.714 -1.544 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.290 4.644 -2.193 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.450 4.487 -3.180 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.911 4.817 -4.090 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.045 6.784 -3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.673 7.123 -3.815 1.00 0.00 H new ATOM 137 N PRO A 9 -8.234 4.414 0.947 1.00 0.00 N ATOM 138 CA PRO A 9 -7.311 3.914 1.978 1.00 0.00 C ATOM 139 C PRO A 9 -6.228 3.035 1.349 1.00 0.00 C ATOM 140 O PRO A 9 -6.453 2.368 0.359 1.00 0.00 O ATOM 141 CB PRO A 9 -8.215 3.109 2.915 1.00 0.00 C ATOM 142 CG PRO A 9 -9.468 2.730 2.092 1.00 0.00 C ATOM 143 CD PRO A 9 -9.550 3.739 0.932 1.00 0.00 C ATOM 0 HA PRO A 9 -6.778 4.709 2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.704 2.217 3.277 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.489 3.697 3.791 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.391 1.710 1.715 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.365 2.774 2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.731 3.239 -0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.364 4.449 1.078 1.00 0.00 H new ATOM 151 N ALA A 10 -5.053 3.038 1.913 1.00 0.00 N ATOM 152 CA ALA A 10 -3.953 2.211 1.347 1.00 0.00 C ATOM 153 C ALA A 10 -4.268 0.728 1.551 1.00 0.00 C ATOM 154 O ALA A 10 -3.606 -0.136 1.011 1.00 0.00 O ATOM 155 CB ALA A 10 -2.642 2.556 2.055 1.00 0.00 C ATOM 0 H ALA A 10 -4.807 3.578 2.742 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.857 2.416 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.835 1.951 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.416 3.612 1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.739 2.351 3.121 1.00 0.00 H new ATOM 161 N ALA A 11 -5.274 0.426 2.324 1.00 0.00 N ATOM 162 CA ALA A 11 -5.628 -1.002 2.559 1.00 0.00 C ATOM 163 C ALA A 11 -6.502 -1.507 1.408 1.00 0.00 C ATOM 164 O ALA A 11 -6.775 -2.685 1.295 1.00 0.00 O ATOM 165 CB ALA A 11 -6.394 -1.125 3.876 1.00 0.00 C ATOM 0 H ALA A 11 -5.866 1.105 2.803 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.718 -1.600 2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.654 -2.169 4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.770 -0.765 4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.305 -0.528 3.824 1.00 0.00 H new ATOM 171 N VAL A 12 -6.943 -0.625 0.555 1.00 0.00 N ATOM 172 CA VAL A 12 -7.799 -1.054 -0.586 1.00 0.00 C ATOM 173 C VAL A 12 -7.033 -0.869 -1.897 1.00 0.00 C ATOM 174 O VAL A 12 -7.244 -1.582 -2.857 1.00 0.00 O ATOM 175 CB VAL A 12 -9.073 -0.209 -0.611 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.719 1.257 -0.868 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.993 -0.712 -1.724 1.00 0.00 C ATOM 0 H VAL A 12 -6.747 0.375 0.599 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.064 -2.105 -0.469 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.579 -0.293 0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.631 1.854 -0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.064 1.617 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.210 1.346 -1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.902 -0.111 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.482 -0.629 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.251 -1.755 -1.539 1.00 0.00 H new ATOM 187 N LEU A 13 -6.140 0.082 -1.944 1.00 0.00 N ATOM 188 CA LEU A 13 -5.359 0.308 -3.192 1.00 0.00 C ATOM 189 C LEU A 13 -4.114 -0.579 -3.170 1.00 0.00 C ATOM 190 O LEU A 13 -3.761 -1.196 -4.155 1.00 0.00 O ATOM 191 CB LEU A 13 -4.936 1.779 -3.272 1.00 0.00 C ATOM 192 CG LEU A 13 -5.944 2.558 -4.118 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.469 4.005 -4.272 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.060 1.909 -5.499 1.00 0.00 C ATOM 0 H LEU A 13 -5.918 0.711 -1.173 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.972 0.061 -4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.879 2.206 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.941 1.858 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.918 2.545 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.187 4.561 -4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.386 4.467 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.496 4.018 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.778 2.464 -6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.087 1.922 -5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.397 0.878 -5.389 1.00 0.00 H new ATOM 206 N LEU A 14 -3.452 -0.649 -2.049 1.00 0.00 N ATOM 207 CA LEU A 14 -2.230 -1.496 -1.955 1.00 0.00 C ATOM 208 C LEU A 14 -2.590 -2.940 -2.312 1.00 0.00 C ATOM 209 O LEU A 14 -2.102 -3.490 -3.279 1.00 0.00 O ATOM 210 CB LEU A 14 -1.682 -1.448 -0.526 1.00 0.00 C ATOM 211 CG LEU A 14 -1.181 -0.036 -0.217 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.462 -0.031 1.134 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.205 0.407 -1.308 1.00 0.00 C ATOM 0 H LEU A 14 -3.705 -0.156 -1.193 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.474 -1.123 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.460 -1.732 0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.870 -2.166 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.029 0.648 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.106 0.976 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.153 -0.349 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.385 -0.716 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.153 1.413 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.641 -0.280 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.712 0.404 -2.273 1.00 0.00 H new ATOM 225 N LYS A 15 -3.442 -3.555 -1.538 1.00 0.00 N ATOM 226 CA LYS A 15 -3.835 -4.962 -1.831 1.00 0.00 C ATOM 227 C LYS A 15 -4.378 -5.050 -3.258 1.00 0.00 C ATOM 228 O LYS A 15 -4.430 -6.111 -3.849 1.00 0.00 O ATOM 229 CB LYS A 15 -4.920 -5.405 -0.847 1.00 0.00 C ATOM 230 CG LYS A 15 -4.274 -6.120 0.341 1.00 0.00 C ATOM 231 CD LYS A 15 -5.271 -7.111 0.944 1.00 0.00 C ATOM 232 CE LYS A 15 -6.540 -6.367 1.366 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.658 -6.731 0.451 1.00 0.00 N ATOM 0 H LYS A 15 -3.883 -3.144 -0.715 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.965 -5.611 -1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.486 -4.540 -0.500 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.627 -6.070 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.374 -6.644 0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.967 -5.393 1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.516 -7.885 0.216 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.827 -7.611 1.805 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.799 -6.622 2.393 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.369 -5.291 1.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.566 -6.500 0.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.568 -6.197 -0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.622 -7.750 0.247 1.00 0.00 H new ATOM 247 N LYS A 16 -4.784 -3.945 -3.818 1.00 0.00 N ATOM 248 CA LYS A 16 -5.325 -3.968 -5.207 1.00 0.00 C ATOM 249 C LYS A 16 -4.189 -4.258 -6.191 1.00 0.00 C ATOM 250 O LYS A 16 -4.333 -5.044 -7.105 1.00 0.00 O ATOM 251 CB LYS A 16 -5.951 -2.609 -5.532 1.00 0.00 C ATOM 252 CG LYS A 16 -7.413 -2.803 -5.943 1.00 0.00 C ATOM 253 CD LYS A 16 -8.137 -1.454 -5.903 1.00 0.00 C ATOM 254 CE LYS A 16 -8.800 -1.190 -7.255 1.00 0.00 C ATOM 255 NZ LYS A 16 -9.597 0.067 -7.181 1.00 0.00 N ATOM 0 H LYS A 16 -4.765 -3.027 -3.375 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.084 -4.746 -5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.891 -1.952 -4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.397 -2.125 -6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.467 -3.227 -6.946 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.900 -3.510 -5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.887 -1.455 -5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.431 -0.657 -5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.042 -1.107 -8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.445 -2.026 -7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.048 0.247 -8.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.329 -0.029 -6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.970 0.862 -6.942 1.00 0.00 H new ATOM 269 N ALA A 17 -3.061 -3.627 -6.012 1.00 0.00 N ATOM 270 CA ALA A 17 -1.918 -3.867 -6.939 1.00 0.00 C ATOM 271 C ALA A 17 -1.581 -5.360 -6.961 1.00 0.00 C ATOM 272 O ALA A 17 -1.482 -5.968 -8.008 1.00 0.00 O ATOM 273 CB ALA A 17 -0.698 -3.077 -6.460 1.00 0.00 C ATOM 0 H ALA A 17 -2.881 -2.956 -5.265 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.192 -3.542 -7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.138 -3.252 -7.137 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.936 -2.013 -6.445 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.425 -3.402 -5.456 1.00 0.00 H new ATOM 279 N ALA A 18 -1.402 -5.955 -5.812 1.00 0.00 N ATOM 280 CA ALA A 18 -1.070 -7.407 -5.771 1.00 0.00 C ATOM 281 C ALA A 18 -2.183 -8.205 -6.450 1.00 0.00 C ATOM 282 O ALA A 18 -1.937 -9.014 -7.322 1.00 0.00 O ATOM 283 CB ALA A 18 -0.936 -7.858 -4.314 1.00 0.00 C ATOM 0 H ALA A 18 -1.471 -5.499 -4.902 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.129 -7.579 -6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.693 -8.920 -4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.142 -7.290 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.877 -7.686 -3.792 1.00 0.00 H new ATOM 289 N GLY A 19 -3.407 -7.985 -6.055 1.00 0.00 N ATOM 290 CA GLY A 19 -4.537 -8.732 -6.678 1.00 0.00 C ATOM 291 C GLY A 19 -5.011 -9.830 -5.725 1.00 0.00 C ATOM 292 O GLY A 19 -5.158 -10.974 -6.105 1.00 0.00 O ATOM 0 H GLY A 19 -3.674 -7.321 -5.328 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.358 -8.051 -6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.219 -9.170 -7.624 1.00 0.00 H new ATOM 296 N ILE A 20 -5.254 -9.491 -4.488 1.00 0.00 N ATOM 297 CA ILE A 20 -5.721 -10.516 -3.513 1.00 0.00 C ATOM 298 C ILE A 20 -7.208 -10.305 -3.223 1.00 0.00 C ATOM 299 O ILE A 20 -7.598 -9.331 -2.610 1.00 0.00 O ATOM 300 CB ILE A 20 -4.925 -10.387 -2.213 1.00 0.00 C ATOM 301 CG1 ILE A 20 -3.483 -10.844 -2.450 1.00 0.00 C ATOM 302 CG2 ILE A 20 -5.564 -11.263 -1.133 1.00 0.00 C ATOM 303 CD1 ILE A 20 -2.520 -9.730 -2.039 1.00 0.00 C ATOM 0 H ILE A 20 -5.149 -8.549 -4.111 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.570 -11.510 -3.933 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.929 -9.347 -1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.278 -11.747 -1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.338 -11.095 -3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.997 -11.171 -0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.591 -10.940 -0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.560 -12.303 -1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.494 -10.056 -2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.720 -8.838 -2.633 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.659 -9.501 -0.982 1.00 0.00 H new ATOM 315 N GLU A 21 -8.039 -11.209 -3.659 1.00 0.00 N ATOM 316 CA GLU A 21 -9.499 -11.060 -3.408 1.00 0.00 C ATOM 317 C GLU A 21 -9.973 -12.174 -2.474 1.00 0.00 C ATOM 318 O GLU A 21 -9.505 -13.294 -2.537 1.00 0.00 O ATOM 319 CB GLU A 21 -10.257 -11.151 -4.735 1.00 0.00 C ATOM 320 CG GLU A 21 -10.921 -9.806 -5.037 1.00 0.00 C ATOM 321 CD GLU A 21 -11.715 -9.906 -6.341 1.00 0.00 C ATOM 322 OE1 GLU A 21 -12.367 -10.917 -6.538 1.00 0.00 O ATOM 323 OE2 GLU A 21 -11.655 -8.969 -7.120 1.00 0.00 O ATOM 0 H GLU A 21 -7.770 -12.045 -4.178 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.690 -10.092 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.572 -11.419 -5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.010 -11.937 -4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.582 -9.524 -4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.164 -9.026 -5.119 1.00 0.00 H new ATOM 330 N SER A 22 -10.902 -11.878 -1.607 1.00 0.00 N ATOM 331 CA SER A 22 -11.407 -12.918 -0.670 1.00 0.00 C ATOM 332 C SER A 22 -12.849 -13.275 -1.035 1.00 0.00 C ATOM 333 O SER A 22 -13.244 -13.203 -2.182 1.00 0.00 O ATOM 334 CB SER A 22 -11.363 -12.380 0.761 1.00 0.00 C ATOM 335 OG SER A 22 -12.402 -11.426 0.937 1.00 0.00 O ATOM 0 H SER A 22 -11.333 -10.959 -1.508 1.00 0.00 H new ATOM 0 HA SER A 22 -10.782 -13.808 -0.743 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.480 -13.197 1.473 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.395 -11.921 0.959 1.00 0.00 H new ATOM 0 HG SER A 22 -12.377 -11.081 1.854 1.00 0.00 H new ATOM 341 N GLY A 23 -13.639 -13.659 -0.069 1.00 0.00 N ATOM 342 CA GLY A 23 -15.055 -14.020 -0.363 1.00 0.00 C ATOM 343 C GLY A 23 -15.196 -15.542 -0.412 1.00 0.00 C ATOM 344 O GLY A 23 -14.318 -16.270 0.008 1.00 0.00 O ATOM 0 H GLY A 23 -13.365 -13.738 0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.713 -13.608 0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.362 -13.585 -1.314 1.00 0.00 H new ATOM 348 N SER A 24 -16.293 -16.029 -0.921 1.00 0.00 N ATOM 349 CA SER A 24 -16.489 -17.504 -0.998 1.00 0.00 C ATOM 350 C SER A 24 -15.725 -18.060 -2.201 1.00 0.00 C ATOM 351 O SER A 24 -15.452 -19.241 -2.284 1.00 0.00 O ATOM 352 CB SER A 24 -17.978 -17.812 -1.153 1.00 0.00 C ATOM 353 OG SER A 24 -18.345 -17.676 -2.520 1.00 0.00 O ATOM 0 H SER A 24 -17.063 -15.469 -1.287 1.00 0.00 H new ATOM 0 HA SER A 24 -16.114 -17.968 -0.085 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.190 -18.823 -0.806 1.00 0.00 H new ATOM 0 HB3 SER A 24 -18.568 -17.133 -0.537 1.00 0.00 H new ATOM 0 HG SER A 24 -19.299 -17.874 -2.624 1.00 0.00 H new ATOM 359 N GLY A 25 -15.377 -17.217 -3.135 1.00 0.00 N ATOM 360 CA GLY A 25 -14.631 -17.701 -4.332 1.00 0.00 C ATOM 361 C GLY A 25 -13.217 -17.119 -4.323 1.00 0.00 C ATOM 362 O GLY A 25 -12.996 -15.993 -4.723 1.00 0.00 O ATOM 0 H GLY A 25 -15.576 -16.217 -3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.587 -18.790 -4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.152 -17.404 -5.242 1.00 0.00 H new ATOM 366 N GLU A 26 -12.256 -17.878 -3.871 1.00 0.00 N ATOM 367 CA GLU A 26 -10.855 -17.369 -3.838 1.00 0.00 C ATOM 368 C GLU A 26 -10.134 -17.775 -5.130 1.00 0.00 C ATOM 369 O GLU A 26 -9.980 -18.950 -5.400 1.00 0.00 O ATOM 370 CB GLU A 26 -10.122 -17.976 -2.641 1.00 0.00 C ATOM 371 CG GLU A 26 -11.012 -17.890 -1.398 1.00 0.00 C ATOM 372 CD GLU A 26 -10.492 -18.855 -0.331 1.00 0.00 C ATOM 373 OE1 GLU A 26 -10.575 -20.052 -0.551 1.00 0.00 O ATOM 374 OE2 GLU A 26 -10.019 -18.381 0.689 1.00 0.00 O ATOM 0 H GLU A 26 -12.380 -18.829 -3.523 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.865 -16.283 -3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.867 -19.015 -2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.185 -17.446 -2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.017 -16.871 -1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.041 -18.138 -1.657 1.00 0.00 H new ATOM 381 N PRO A 27 -9.710 -16.796 -5.891 1.00 0.00 N ATOM 382 CA PRO A 27 -9.000 -17.034 -7.159 1.00 0.00 C ATOM 383 C PRO A 27 -7.537 -17.400 -6.891 1.00 0.00 C ATOM 384 O PRO A 27 -6.681 -16.542 -6.796 1.00 0.00 O ATOM 385 CB PRO A 27 -9.102 -15.691 -7.886 1.00 0.00 C ATOM 386 CG PRO A 27 -9.348 -14.622 -6.795 1.00 0.00 C ATOM 387 CD PRO A 27 -9.897 -15.368 -5.564 1.00 0.00 C ATOM 0 HA PRO A 27 -9.419 -17.858 -7.737 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.187 -15.478 -8.439 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.917 -15.702 -8.610 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.424 -14.098 -6.550 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.058 -13.871 -7.141 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -9.357 -15.093 -4.658 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -10.947 -15.133 -5.392 1.00 0.00 H new ATOM 395 N ASN A 28 -7.242 -18.665 -6.767 1.00 0.00 N ATOM 396 CA ASN A 28 -5.834 -19.080 -6.504 1.00 0.00 C ATOM 397 C ASN A 28 -5.034 -19.028 -7.807 1.00 0.00 C ATOM 398 O ASN A 28 -5.451 -19.545 -8.824 1.00 0.00 O ATOM 399 CB ASN A 28 -5.815 -20.508 -5.956 1.00 0.00 C ATOM 400 CG ASN A 28 -6.994 -20.705 -5.001 1.00 0.00 C ATOM 401 OD1 ASN A 28 -7.949 -21.380 -5.327 1.00 0.00 O ATOM 402 ND2 ASN A 28 -6.968 -20.138 -3.826 1.00 0.00 N ATOM 0 H ASN A 28 -7.914 -19.429 -6.836 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.389 -18.403 -5.775 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.874 -21.224 -6.776 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -4.876 -20.696 -5.435 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.750 -20.262 -3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.166 -19.571 -3.551 1.00 0.00 H new ATOM 409 N ARG A 29 -3.885 -18.410 -7.782 1.00 0.00 N ATOM 410 CA ARG A 29 -3.055 -18.328 -9.017 1.00 0.00 C ATOM 411 C ARG A 29 -1.575 -18.367 -8.640 1.00 0.00 C ATOM 412 O ARG A 29 -0.893 -19.349 -8.862 1.00 0.00 O ATOM 413 CB ARG A 29 -3.362 -17.021 -9.753 1.00 0.00 C ATOM 414 CG ARG A 29 -4.671 -17.170 -10.530 1.00 0.00 C ATOM 415 CD ARG A 29 -5.170 -15.790 -10.959 1.00 0.00 C ATOM 416 NE ARG A 29 -6.050 -15.228 -9.896 1.00 0.00 N ATOM 417 CZ ARG A 29 -6.112 -13.939 -9.714 1.00 0.00 C ATOM 418 NH1 ARG A 29 -5.018 -13.247 -9.555 1.00 0.00 N ATOM 419 NH2 ARG A 29 -7.271 -13.339 -9.690 1.00 0.00 N ATOM 0 H ARG A 29 -3.485 -17.958 -6.960 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.286 -19.172 -9.667 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.441 -16.200 -9.041 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.548 -16.775 -10.435 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.517 -17.801 -11.405 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.420 -17.663 -9.910 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.325 -15.125 -11.136 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.718 -15.865 -11.898 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.604 -15.853 -9.310 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.112 -13.715 -9.573 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.069 -12.238 -9.413 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.127 -13.879 -9.814 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.320 -12.330 -9.548 1.00 0.00 H new ATOM 433 N ASN A 30 -1.075 -17.309 -8.071 1.00 0.00 N ATOM 434 CA ASN A 30 0.363 -17.281 -7.676 1.00 0.00 C ATOM 435 C ASN A 30 0.494 -17.654 -6.197 1.00 0.00 C ATOM 436 O ASN A 30 1.580 -17.855 -5.694 1.00 0.00 O ATOM 437 CB ASN A 30 0.925 -15.875 -7.895 1.00 0.00 C ATOM 438 CG ASN A 30 2.431 -15.880 -7.627 1.00 0.00 C ATOM 439 OD1 ASN A 30 2.856 -15.850 -6.490 1.00 0.00 O ATOM 440 ND2 ASN A 30 3.261 -15.917 -8.633 1.00 0.00 N ATOM 0 H ASN A 30 -1.599 -16.459 -7.861 1.00 0.00 H new ATOM 0 HA ASN A 30 0.919 -17.995 -8.283 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.728 -15.548 -8.916 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.429 -15.166 -7.232 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.267 -15.921 -8.464 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.904 -15.942 -9.588 1.00 0.00 H new ATOM 447 N LYS A 31 -0.604 -17.745 -5.498 1.00 0.00 N ATOM 448 CA LYS A 31 -0.540 -18.101 -4.052 1.00 0.00 C ATOM 449 C LYS A 31 0.223 -17.010 -3.295 1.00 0.00 C ATOM 450 O LYS A 31 0.614 -16.011 -3.864 1.00 0.00 O ATOM 451 CB LYS A 31 0.181 -19.441 -3.885 1.00 0.00 C ATOM 452 CG LYS A 31 -0.675 -20.376 -3.025 1.00 0.00 C ATOM 453 CD LYS A 31 -0.127 -21.801 -3.115 1.00 0.00 C ATOM 454 CE LYS A 31 -0.434 -22.382 -4.498 1.00 0.00 C ATOM 455 NZ LYS A 31 -1.088 -23.713 -4.344 1.00 0.00 N ATOM 0 H LYS A 31 -1.543 -17.588 -5.865 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.551 -18.184 -3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.364 -19.892 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.153 -19.287 -3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.671 -20.039 -1.988 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.711 -20.352 -3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.949 -21.800 -2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.575 -22.423 -2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.086 -21.706 -5.051 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.486 -22.481 -5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.297 -24.108 -5.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.451 -24.356 -3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.973 -23.605 -3.809 1.00 0.00 H new ATOM 469 N VAL A 32 0.431 -17.196 -2.019 1.00 0.00 N ATOM 470 CA VAL A 32 1.165 -16.176 -1.211 1.00 0.00 C ATOM 471 C VAL A 32 0.731 -14.766 -1.635 1.00 0.00 C ATOM 472 O VAL A 32 -0.298 -14.586 -2.257 1.00 0.00 O ATOM 473 CB VAL A 32 2.683 -16.366 -1.403 1.00 0.00 C ATOM 474 CG1 VAL A 32 3.216 -15.474 -2.533 1.00 0.00 C ATOM 475 CG2 VAL A 32 3.403 -16.011 -0.101 1.00 0.00 C ATOM 0 H VAL A 32 0.122 -18.016 -1.497 1.00 0.00 H new ATOM 0 HA VAL A 32 0.929 -16.302 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 32 2.868 -17.407 -1.669 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.289 -15.630 -2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.713 -15.729 -3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.025 -14.428 -2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.477 -16.144 -0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.194 -14.973 0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.051 -16.663 0.699 1.00 0.00 H new ATOM 485 N ALA A 33 1.505 -13.768 -1.306 1.00 0.00 N ATOM 486 CA ALA A 33 1.129 -12.378 -1.694 1.00 0.00 C ATOM 487 C ALA A 33 2.344 -11.457 -1.555 1.00 0.00 C ATOM 488 O ALA A 33 2.511 -10.778 -0.560 1.00 0.00 O ATOM 489 CB ALA A 33 0.002 -11.880 -0.787 1.00 0.00 C ATOM 0 H ALA A 33 2.379 -13.854 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 33 0.790 -12.373 -2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.272 -10.864 -1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.865 -12.532 -0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.339 -11.888 0.250 1.00 0.00 H new ATOM 495 N THR A 34 3.190 -11.425 -2.548 1.00 0.00 N ATOM 496 CA THR A 34 4.390 -10.545 -2.476 1.00 0.00 C ATOM 497 C THR A 34 4.189 -9.337 -3.391 1.00 0.00 C ATOM 498 O THR A 34 3.791 -9.470 -4.531 1.00 0.00 O ATOM 499 CB THR A 34 5.628 -11.323 -2.930 1.00 0.00 C ATOM 500 OG1 THR A 34 5.224 -12.430 -3.724 1.00 0.00 O ATOM 501 CG2 THR A 34 6.401 -11.822 -1.709 1.00 0.00 C ATOM 0 H THR A 34 3.102 -11.970 -3.406 1.00 0.00 H new ATOM 0 HA THR A 34 4.530 -10.209 -1.449 1.00 0.00 H new ATOM 0 HB THR A 34 6.272 -10.668 -3.518 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.015 -12.928 -4.017 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.281 -12.375 -2.037 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.712 -10.971 -1.103 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.762 -12.476 -1.116 1.00 0.00 H new ATOM 509 N ILE A 35 4.460 -8.159 -2.903 1.00 0.00 N ATOM 510 CA ILE A 35 4.283 -6.947 -3.753 1.00 0.00 C ATOM 511 C ILE A 35 5.645 -6.304 -4.021 1.00 0.00 C ATOM 512 O ILE A 35 6.307 -5.831 -3.120 1.00 0.00 O ATOM 513 CB ILE A 35 3.377 -5.946 -3.035 1.00 0.00 C ATOM 514 CG1 ILE A 35 1.985 -6.558 -2.858 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.268 -4.669 -3.870 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.004 -5.477 -2.408 1.00 0.00 C ATOM 0 H ILE A 35 4.795 -7.982 -1.956 1.00 0.00 H new ATOM 0 HA ILE A 35 3.827 -7.234 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 35 3.798 -5.708 -2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.649 -7.001 -3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.020 -7.361 -2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.622 -3.954 -3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.259 -4.234 -4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.845 -4.907 -4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.013 -5.914 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.337 -5.055 -1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.960 -4.689 -3.160 1.00 0.00 H new ATOM 528 N LYS A 36 6.068 -6.284 -5.254 1.00 0.00 N ATOM 529 CA LYS A 36 7.387 -5.675 -5.577 1.00 0.00 C ATOM 530 C LYS A 36 7.394 -4.207 -5.150 1.00 0.00 C ATOM 531 O LYS A 36 6.365 -3.565 -5.075 1.00 0.00 O ATOM 532 CB LYS A 36 7.636 -5.766 -7.085 1.00 0.00 C ATOM 533 CG LYS A 36 8.444 -7.029 -7.391 1.00 0.00 C ATOM 534 CD LYS A 36 9.912 -6.656 -7.602 1.00 0.00 C ATOM 535 CE LYS A 36 10.025 -5.653 -8.751 1.00 0.00 C ATOM 536 NZ LYS A 36 11.337 -5.827 -9.435 1.00 0.00 N ATOM 0 H LYS A 36 5.557 -6.663 -6.051 1.00 0.00 H new ATOM 0 HA LYS A 36 8.172 -6.212 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.687 -5.789 -7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.175 -4.884 -7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.353 -7.740 -6.570 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.050 -7.519 -8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.324 -6.226 -6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.496 -7.549 -7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.211 -5.803 -9.460 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.933 -4.636 -8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.436 -5.112 -10.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.106 -5.714 -8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.386 -6.777 -9.855 1.00 0.00 H new ATOM 550 N ARG A 37 8.551 -3.670 -4.877 1.00 0.00 N ATOM 551 CA ARG A 37 8.635 -2.245 -4.462 1.00 0.00 C ATOM 552 C ARG A 37 8.420 -1.366 -5.690 1.00 0.00 C ATOM 553 O ARG A 37 7.947 -0.250 -5.599 1.00 0.00 O ATOM 554 CB ARG A 37 10.023 -1.973 -3.883 1.00 0.00 C ATOM 555 CG ARG A 37 9.902 -1.063 -2.660 1.00 0.00 C ATOM 556 CD ARG A 37 9.128 -1.786 -1.555 1.00 0.00 C ATOM 557 NE ARG A 37 9.680 -1.405 -0.223 1.00 0.00 N ATOM 558 CZ ARG A 37 10.971 -1.331 -0.042 1.00 0.00 C ATOM 559 NH1 ARG A 37 11.718 -2.385 -0.226 1.00 0.00 N ATOM 560 NH2 ARG A 37 11.515 -0.200 0.320 1.00 0.00 N ATOM 0 H ARG A 37 9.444 -4.160 -4.924 1.00 0.00 H new ATOM 0 HA ARG A 37 7.877 -2.027 -3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.502 -2.912 -3.604 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.656 -1.504 -4.636 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.893 -0.785 -2.301 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.391 -0.139 -2.931 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.071 -1.527 -1.609 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.199 -2.865 -1.694 1.00 0.00 H new ATOM 0 HE ARG A 37 9.046 -1.201 0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.293 -3.267 -0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.726 -2.326 -0.084 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.931 0.625 0.461 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.523 -0.141 0.462 1.00 0.00 H new ATOM 574 N ASP A 38 8.772 -1.866 -6.840 1.00 0.00 N ATOM 575 CA ASP A 38 8.602 -1.072 -8.085 1.00 0.00 C ATOM 576 C ASP A 38 7.120 -0.755 -8.302 1.00 0.00 C ATOM 577 O ASP A 38 6.769 0.076 -9.118 1.00 0.00 O ATOM 578 CB ASP A 38 9.132 -1.873 -9.277 1.00 0.00 C ATOM 579 CG ASP A 38 10.555 -1.419 -9.606 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.465 -1.841 -8.912 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.710 -0.659 -10.547 1.00 0.00 O ATOM 0 H ASP A 38 9.172 -2.795 -6.971 1.00 0.00 H new ATOM 0 HA ASP A 38 9.159 -0.139 -7.994 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.123 -2.938 -9.045 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.484 -1.730 -10.142 1.00 0.00 H new ATOM 586 N LYS A 39 6.244 -1.407 -7.586 1.00 0.00 N ATOM 587 CA LYS A 39 4.789 -1.133 -7.767 1.00 0.00 C ATOM 588 C LYS A 39 4.224 -0.466 -6.510 1.00 0.00 C ATOM 589 O LYS A 39 3.729 0.643 -6.555 1.00 0.00 O ATOM 590 CB LYS A 39 4.046 -2.446 -8.027 1.00 0.00 C ATOM 591 CG LYS A 39 3.040 -2.247 -9.164 1.00 0.00 C ATOM 592 CD LYS A 39 1.732 -2.969 -8.828 1.00 0.00 C ATOM 593 CE LYS A 39 0.965 -3.267 -10.119 1.00 0.00 C ATOM 594 NZ LYS A 39 -0.498 -3.289 -9.835 1.00 0.00 N ATOM 0 H LYS A 39 6.471 -2.114 -6.887 1.00 0.00 H new ATOM 0 HA LYS A 39 4.656 -0.465 -8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.755 -3.232 -8.288 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.530 -2.769 -7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.852 -1.184 -9.314 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.450 -2.633 -10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.943 -3.897 -8.296 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.124 -2.353 -8.166 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.189 -2.510 -10.870 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.281 -4.226 -10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.026 -3.168 -10.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.754 -4.199 -9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.737 -2.515 -9.182 1.00 0.00 H new ATOM 608 N VAL A 40 4.284 -1.132 -5.387 1.00 0.00 N ATOM 609 CA VAL A 40 3.739 -0.525 -4.138 1.00 0.00 C ATOM 610 C VAL A 40 4.287 0.899 -3.998 1.00 0.00 C ATOM 611 O VAL A 40 3.612 1.796 -3.533 1.00 0.00 O ATOM 612 CB VAL A 40 4.140 -1.396 -2.927 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.325 -0.784 -2.164 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.945 -1.527 -1.983 1.00 0.00 C ATOM 0 H VAL A 40 4.684 -2.064 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 40 2.651 -0.479 -4.180 1.00 0.00 H new ATOM 0 HB VAL A 40 4.442 -2.376 -3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.581 -1.422 -1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.184 -0.702 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.052 0.207 -1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.223 -2.141 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.644 -0.538 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.114 -1.996 -2.511 1.00 0.00 H new ATOM 624 N ARG A 41 5.511 1.107 -4.401 1.00 0.00 N ATOM 625 CA ARG A 41 6.113 2.466 -4.297 1.00 0.00 C ATOM 626 C ARG A 41 5.283 3.454 -5.117 1.00 0.00 C ATOM 627 O ARG A 41 4.778 4.431 -4.603 1.00 0.00 O ATOM 628 CB ARG A 41 7.543 2.430 -4.840 1.00 0.00 C ATOM 629 CG ARG A 41 8.181 3.813 -4.687 1.00 0.00 C ATOM 630 CD ARG A 41 9.616 3.774 -5.217 1.00 0.00 C ATOM 631 NE ARG A 41 10.432 4.803 -4.514 1.00 0.00 N ATOM 632 CZ ARG A 41 11.669 5.010 -4.872 1.00 0.00 C ATOM 633 NH1 ARG A 41 12.433 4.001 -5.191 1.00 0.00 N ATOM 634 NH2 ARG A 41 12.143 6.226 -4.912 1.00 0.00 N ATOM 0 H ARG A 41 6.121 0.393 -4.799 1.00 0.00 H new ATOM 0 HA ARG A 41 6.126 2.780 -3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.129 1.685 -4.302 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.538 2.134 -5.889 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.600 4.556 -5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.177 4.113 -3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.046 2.785 -5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.624 3.960 -6.291 1.00 0.00 H new ATOM 0 HE ARG A 41 10.024 5.346 -3.753 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.063 3.051 -5.160 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.400 4.162 -5.471 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.546 7.015 -4.663 1.00 0.00 H new ATOM 0 HH22 ARG A 41 13.110 6.387 -5.192 1.00 0.00 H new ATOM 648 N GLU A 42 5.140 3.209 -6.392 1.00 0.00 N ATOM 649 CA GLU A 42 4.344 4.136 -7.243 1.00 0.00 C ATOM 650 C GLU A 42 2.986 4.390 -6.585 1.00 0.00 C ATOM 651 O GLU A 42 2.521 5.510 -6.510 1.00 0.00 O ATOM 652 CB GLU A 42 4.133 3.509 -8.623 1.00 0.00 C ATOM 653 CG GLU A 42 3.628 4.576 -9.597 1.00 0.00 C ATOM 654 CD GLU A 42 2.229 4.198 -10.087 1.00 0.00 C ATOM 655 OE1 GLU A 42 1.278 4.489 -9.382 1.00 0.00 O ATOM 656 OE2 GLU A 42 2.133 3.625 -11.159 1.00 0.00 O ATOM 0 H GLU A 42 5.540 2.407 -6.879 1.00 0.00 H new ATOM 0 HA GLU A 42 4.879 5.080 -7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.068 3.082 -8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.414 2.692 -8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.602 5.549 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.310 4.664 -10.443 1.00 0.00 H new ATOM 663 N ILE A 43 2.347 3.359 -6.105 1.00 0.00 N ATOM 664 CA ILE A 43 1.021 3.542 -5.451 1.00 0.00 C ATOM 665 C ILE A 43 1.143 4.597 -4.347 1.00 0.00 C ATOM 666 O ILE A 43 0.354 5.519 -4.267 1.00 0.00 O ATOM 667 CB ILE A 43 0.566 2.212 -4.843 1.00 0.00 C ATOM 668 CG1 ILE A 43 0.117 1.265 -5.964 1.00 0.00 C ATOM 669 CG2 ILE A 43 -0.598 2.457 -3.877 1.00 0.00 C ATOM 670 CD1 ILE A 43 -1.282 1.657 -6.449 1.00 0.00 C ATOM 0 H ILE A 43 2.686 2.398 -6.137 1.00 0.00 H new ATOM 0 HA ILE A 43 0.290 3.871 -6.189 1.00 0.00 H new ATOM 0 HB ILE A 43 1.395 1.761 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.824 1.308 -6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.111 0.237 -5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.919 1.509 -3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.275 3.126 -3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.429 2.910 -4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.594 0.980 -7.245 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.986 1.591 -5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.263 2.679 -6.828 1.00 0.00 H new ATOM 682 N ALA A 44 2.123 4.469 -3.496 1.00 0.00 N ATOM 683 CA ALA A 44 2.293 5.462 -2.399 1.00 0.00 C ATOM 684 C ALA A 44 2.533 6.849 -2.997 1.00 0.00 C ATOM 685 O ALA A 44 2.125 7.853 -2.445 1.00 0.00 O ATOM 686 CB ALA A 44 3.491 5.064 -1.535 1.00 0.00 C ATOM 0 H ALA A 44 2.814 3.719 -3.513 1.00 0.00 H new ATOM 0 HA ALA A 44 1.392 5.484 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.617 5.790 -0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.319 4.076 -1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.391 5.043 -2.149 1.00 0.00 H new ATOM 692 N GLU A 45 3.188 6.916 -4.124 1.00 0.00 N ATOM 693 CA GLU A 45 3.451 8.239 -4.757 1.00 0.00 C ATOM 694 C GLU A 45 2.120 8.891 -5.130 1.00 0.00 C ATOM 695 O GLU A 45 1.913 10.070 -4.921 1.00 0.00 O ATOM 696 CB GLU A 45 4.297 8.045 -6.017 1.00 0.00 C ATOM 697 CG GLU A 45 5.678 7.511 -5.627 1.00 0.00 C ATOM 698 CD GLU A 45 6.746 8.163 -6.507 1.00 0.00 C ATOM 699 OE1 GLU A 45 6.393 8.659 -7.563 1.00 0.00 O ATOM 700 OE2 GLU A 45 7.899 8.154 -6.108 1.00 0.00 O ATOM 0 H GLU A 45 3.552 6.111 -4.634 1.00 0.00 H new ATOM 0 HA GLU A 45 3.989 8.879 -4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.804 7.348 -6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.398 8.991 -6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.878 7.723 -4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.707 6.428 -5.744 1.00 0.00 H new ATOM 707 N LEU A 46 1.210 8.131 -5.676 1.00 0.00 N ATOM 708 CA LEU A 46 -0.109 8.707 -6.056 1.00 0.00 C ATOM 709 C LEU A 46 -0.806 9.238 -4.801 1.00 0.00 C ATOM 710 O LEU A 46 -1.345 10.326 -4.792 1.00 0.00 O ATOM 711 CB LEU A 46 -0.974 7.621 -6.702 1.00 0.00 C ATOM 712 CG LEU A 46 -1.418 8.083 -8.091 1.00 0.00 C ATOM 713 CD1 LEU A 46 -2.317 7.018 -8.721 1.00 0.00 C ATOM 714 CD2 LEU A 46 -2.195 9.395 -7.965 1.00 0.00 C ATOM 0 H LEU A 46 1.324 7.137 -5.875 1.00 0.00 H new ATOM 0 HA LEU A 46 0.037 9.521 -6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.411 6.691 -6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.845 7.416 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.542 8.236 -8.721 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.633 7.348 -9.711 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.765 6.082 -8.809 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.194 6.864 -8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.512 9.726 -8.954 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.071 9.240 -7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.556 10.155 -7.516 1.00 0.00 H new ATOM 726 N LYS A 47 -0.791 8.480 -3.739 1.00 0.00 N ATOM 727 CA LYS A 47 -1.445 8.941 -2.479 1.00 0.00 C ATOM 728 C LYS A 47 -0.464 9.810 -1.692 1.00 0.00 C ATOM 729 O LYS A 47 -0.783 10.333 -0.645 1.00 0.00 O ATOM 730 CB LYS A 47 -1.838 7.736 -1.619 1.00 0.00 C ATOM 731 CG LYS A 47 -1.962 6.485 -2.493 1.00 0.00 C ATOM 732 CD LYS A 47 -3.077 5.599 -1.945 1.00 0.00 C ATOM 733 CE LYS A 47 -2.488 4.279 -1.445 1.00 0.00 C ATOM 734 NZ LYS A 47 -1.209 4.547 -0.729 1.00 0.00 N ATOM 0 H LYS A 47 -0.354 7.560 -3.688 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.338 9.513 -2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.090 7.574 -0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.784 7.932 -1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.178 6.767 -3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.019 5.939 -2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.593 6.109 -1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.817 5.407 -2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.193 3.783 -0.779 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.314 3.605 -2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.076 3.838 0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.417 4.493 -1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.240 5.497 -0.306 1.00 0.00 H new ATOM 748 N MET A 48 0.734 9.959 -2.190 1.00 0.00 N ATOM 749 CA MET A 48 1.749 10.783 -1.471 1.00 0.00 C ATOM 750 C MET A 48 1.128 12.095 -0.973 1.00 0.00 C ATOM 751 O MET A 48 1.331 12.465 0.167 1.00 0.00 O ATOM 752 CB MET A 48 2.927 11.087 -2.401 1.00 0.00 C ATOM 753 CG MET A 48 4.156 11.432 -1.560 1.00 0.00 C ATOM 754 SD MET A 48 4.163 13.209 -1.218 1.00 0.00 S ATOM 755 CE MET A 48 5.941 13.378 -0.937 1.00 0.00 C ATOM 0 H MET A 48 1.054 9.545 -3.065 1.00 0.00 H new ATOM 0 HA MET A 48 2.105 10.218 -0.609 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.136 10.226 -3.036 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.679 11.918 -3.062 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.142 10.870 -0.626 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.065 11.148 -2.090 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.123 14.198 -0.242 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.333 12.452 -0.516 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.441 13.586 -1.883 1.00 0.00 H new ATOM 765 N PRO A 49 0.396 12.771 -1.829 1.00 0.00 N ATOM 766 CA PRO A 49 -0.249 14.047 -1.469 1.00 0.00 C ATOM 767 C PRO A 49 -1.546 13.802 -0.685 1.00 0.00 C ATOM 768 O PRO A 49 -2.554 14.437 -0.926 1.00 0.00 O ATOM 769 CB PRO A 49 -0.551 14.691 -2.824 1.00 0.00 C ATOM 770 CG PRO A 49 -0.598 13.539 -3.856 1.00 0.00 C ATOM 771 CD PRO A 49 0.148 12.347 -3.226 1.00 0.00 C ATOM 0 HA PRO A 49 0.376 14.671 -0.830 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.500 15.226 -2.796 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.217 15.418 -3.088 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.628 13.271 -4.089 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.127 13.839 -4.792 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.450 11.437 -3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.081 12.139 -3.750 1.00 0.00 H new ATOM 779 N ASP A 50 -1.533 12.890 0.252 1.00 0.00 N ATOM 780 CA ASP A 50 -2.769 12.617 1.041 1.00 0.00 C ATOM 781 C ASP A 50 -2.432 11.708 2.225 1.00 0.00 C ATOM 782 O ASP A 50 -3.266 10.966 2.706 1.00 0.00 O ATOM 783 CB ASP A 50 -3.801 11.926 0.147 1.00 0.00 C ATOM 784 CG ASP A 50 -4.752 12.971 -0.439 1.00 0.00 C ATOM 785 OD1 ASP A 50 -5.684 13.348 0.252 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.532 13.376 -1.569 1.00 0.00 O ATOM 0 H ASP A 50 -0.722 12.324 0.504 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.177 13.557 1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.299 11.386 -0.655 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.363 11.191 0.723 1.00 0.00 H new ATOM 791 N LEU A 51 -1.216 11.756 2.700 1.00 0.00 N ATOM 792 CA LEU A 51 -0.833 10.890 3.854 1.00 0.00 C ATOM 793 C LEU A 51 0.067 11.681 4.805 1.00 0.00 C ATOM 794 O LEU A 51 0.799 11.118 5.595 1.00 0.00 O ATOM 795 CB LEU A 51 -0.075 9.650 3.355 1.00 0.00 C ATOM 796 CG LEU A 51 -0.338 9.438 1.863 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.612 8.370 1.318 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.785 8.982 1.661 1.00 0.00 C ATOM 0 H LEU A 51 -0.473 12.355 2.340 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.736 10.572 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.994 9.773 3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.391 8.771 3.916 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.171 10.375 1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.422 8.222 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.643 8.693 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.449 7.433 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.974 8.831 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.950 8.047 2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.464 9.744 2.045 1.00 0.00 H new ATOM 810 N ASN A 52 0.020 12.983 4.735 1.00 0.00 N ATOM 811 CA ASN A 52 0.873 13.807 5.636 1.00 0.00 C ATOM 812 C ASN A 52 2.334 13.372 5.491 1.00 0.00 C ATOM 813 O ASN A 52 3.112 13.459 6.419 1.00 0.00 O ATOM 814 CB ASN A 52 0.425 13.613 7.086 1.00 0.00 C ATOM 815 CG ASN A 52 -0.302 14.870 7.569 1.00 0.00 C ATOM 816 OD1 ASN A 52 -1.494 14.845 7.800 1.00 0.00 O ATOM 817 ND2 ASN A 52 0.371 15.977 7.732 1.00 0.00 N ATOM 0 H ASN A 52 -0.572 13.511 4.093 1.00 0.00 H new ATOM 0 HA ASN A 52 0.776 14.858 5.365 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.234 12.748 7.161 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.288 13.413 7.721 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.104 16.820 8.053 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.372 15.998 7.538 1.00 0.00 H new ATOM 824 N ALA A 53 2.710 12.902 4.333 1.00 0.00 N ATOM 825 CA ALA A 53 4.119 12.460 4.130 1.00 0.00 C ATOM 826 C ALA A 53 4.922 13.595 3.493 1.00 0.00 C ATOM 827 O ALA A 53 4.635 14.034 2.396 1.00 0.00 O ATOM 828 CB ALA A 53 4.142 11.239 3.209 1.00 0.00 C ATOM 0 H ALA A 53 2.103 12.805 3.519 1.00 0.00 H new ATOM 0 HA ALA A 53 4.560 12.198 5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.172 10.915 3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.569 10.430 3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.701 11.500 2.247 1.00 0.00 H new ATOM 834 N ALA A 54 5.929 14.075 4.172 1.00 0.00 N ATOM 835 CA ALA A 54 6.750 15.182 3.608 1.00 0.00 C ATOM 836 C ALA A 54 7.382 14.732 2.288 1.00 0.00 C ATOM 837 O ALA A 54 7.418 15.471 1.324 1.00 0.00 O ATOM 838 CB ALA A 54 7.855 15.551 4.599 1.00 0.00 C ATOM 0 H ALA A 54 6.218 13.747 5.094 1.00 0.00 H new ATOM 0 HA ALA A 54 6.114 16.049 3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.457 16.361 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.408 15.873 5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.489 14.682 4.777 1.00 0.00 H new ATOM 844 N SER A 55 7.880 13.527 2.237 1.00 0.00 N ATOM 845 CA SER A 55 8.511 13.034 0.980 1.00 0.00 C ATOM 846 C SER A 55 8.084 11.586 0.728 1.00 0.00 C ATOM 847 O SER A 55 7.243 11.045 1.419 1.00 0.00 O ATOM 848 CB SER A 55 10.032 13.098 1.116 1.00 0.00 C ATOM 849 OG SER A 55 10.422 12.450 2.318 1.00 0.00 O ATOM 0 H SER A 55 7.877 12.863 3.011 1.00 0.00 H new ATOM 0 HA SER A 55 8.192 13.658 0.145 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.506 12.618 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.365 14.136 1.124 1.00 0.00 H new ATOM 0 HG SER A 55 11.397 12.487 2.408 1.00 0.00 H new ATOM 855 N ILE A 56 8.655 10.952 -0.260 1.00 0.00 N ATOM 856 CA ILE A 56 8.280 9.541 -0.555 1.00 0.00 C ATOM 857 C ILE A 56 8.727 8.642 0.598 1.00 0.00 C ATOM 858 O ILE A 56 7.992 7.793 1.054 1.00 0.00 O ATOM 859 CB ILE A 56 8.962 9.086 -1.845 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.817 10.174 -2.911 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.305 7.797 -2.342 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.349 10.593 -3.019 1.00 0.00 C ATOM 0 H ILE A 56 9.365 11.351 -0.875 1.00 0.00 H new ATOM 0 HA ILE A 56 7.199 9.474 -0.673 1.00 0.00 H new ATOM 0 HB ILE A 56 10.019 8.905 -1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.434 11.035 -2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.172 9.805 -3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.791 7.472 -3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.407 7.021 -1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.248 7.978 -2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.247 11.368 -3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.744 9.730 -3.297 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.009 10.980 -2.058 1.00 0.00 H new ATOM 874 N GLU A 57 9.929 8.819 1.073 1.00 0.00 N ATOM 875 CA GLU A 57 10.413 7.969 2.196 1.00 0.00 C ATOM 876 C GLU A 57 9.313 7.852 3.253 1.00 0.00 C ATOM 877 O GLU A 57 9.234 6.881 3.979 1.00 0.00 O ATOM 878 CB GLU A 57 11.658 8.604 2.821 1.00 0.00 C ATOM 879 CG GLU A 57 12.796 8.607 1.800 1.00 0.00 C ATOM 880 CD GLU A 57 14.125 8.848 2.519 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.165 9.720 3.373 1.00 0.00 O ATOM 882 OE2 GLU A 57 15.080 8.158 2.204 1.00 0.00 O ATOM 0 H GLU A 57 10.595 9.513 0.733 1.00 0.00 H new ATOM 0 HA GLU A 57 10.665 6.977 1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.438 9.623 3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.955 8.049 3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.825 7.656 1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.628 9.384 1.054 1.00 0.00 H new ATOM 889 N ALA A 58 8.462 8.838 3.345 1.00 0.00 N ATOM 890 CA ALA A 58 7.366 8.789 4.353 1.00 0.00 C ATOM 891 C ALA A 58 6.125 8.134 3.738 1.00 0.00 C ATOM 892 O ALA A 58 5.391 7.432 4.404 1.00 0.00 O ATOM 893 CB ALA A 58 7.024 10.209 4.804 1.00 0.00 C ATOM 0 H ALA A 58 8.479 9.676 2.764 1.00 0.00 H new ATOM 0 HA ALA A 58 7.693 8.203 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.222 10.173 5.541 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.905 10.672 5.248 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.700 10.796 3.944 1.00 0.00 H new ATOM 899 N ALA A 59 5.881 8.359 2.474 1.00 0.00 N ATOM 900 CA ALA A 59 4.683 7.748 1.829 1.00 0.00 C ATOM 901 C ALA A 59 4.843 6.226 1.783 1.00 0.00 C ATOM 902 O ALA A 59 4.029 5.488 2.305 1.00 0.00 O ATOM 903 CB ALA A 59 4.535 8.289 0.406 1.00 0.00 C ATOM 0 H ALA A 59 6.457 8.937 1.863 1.00 0.00 H new ATOM 0 HA ALA A 59 3.794 8.001 2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.659 7.842 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.416 9.372 0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.424 8.039 -0.172 1.00 0.00 H new ATOM 909 N MET A 60 5.888 5.748 1.166 1.00 0.00 N ATOM 910 CA MET A 60 6.097 4.278 1.095 1.00 0.00 C ATOM 911 C MET A 60 6.169 3.719 2.513 1.00 0.00 C ATOM 912 O MET A 60 5.966 2.544 2.740 1.00 0.00 O ATOM 913 CB MET A 60 7.403 3.977 0.357 1.00 0.00 C ATOM 914 CG MET A 60 7.696 2.478 0.434 1.00 0.00 C ATOM 915 SD MET A 60 8.184 1.876 -1.201 1.00 0.00 S ATOM 916 CE MET A 60 9.780 2.724 -1.286 1.00 0.00 C ATOM 0 H MET A 60 6.604 6.312 0.709 1.00 0.00 H new ATOM 0 HA MET A 60 5.270 3.815 0.557 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.326 4.291 -0.684 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.223 4.542 0.800 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.491 2.288 1.156 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.814 1.941 0.783 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.365 2.317 -2.111 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.618 3.790 -1.447 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.321 2.577 -0.351 1.00 0.00 H new ATOM 926 N ARG A 61 6.449 4.557 3.474 1.00 0.00 N ATOM 927 CA ARG A 61 6.527 4.075 4.880 1.00 0.00 C ATOM 928 C ARG A 61 5.146 3.581 5.312 1.00 0.00 C ATOM 929 O ARG A 61 5.015 2.593 6.007 1.00 0.00 O ATOM 930 CB ARG A 61 6.971 5.223 5.788 1.00 0.00 C ATOM 931 CG ARG A 61 7.145 4.705 7.216 1.00 0.00 C ATOM 932 CD ARG A 61 7.694 5.824 8.103 1.00 0.00 C ATOM 933 NE ARG A 61 6.562 6.557 8.738 1.00 0.00 N ATOM 934 CZ ARG A 61 6.097 6.167 9.893 1.00 0.00 C ATOM 935 NH1 ARG A 61 5.991 4.893 10.159 1.00 0.00 N ATOM 936 NH2 ARG A 61 5.738 7.050 10.784 1.00 0.00 N ATOM 0 H ARG A 61 6.627 5.553 3.345 1.00 0.00 H new ATOM 0 HA ARG A 61 7.248 3.261 4.954 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.908 5.645 5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.232 6.024 5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.189 4.354 7.605 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.825 3.853 7.225 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.347 5.407 8.870 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.298 6.510 7.509 1.00 0.00 H new ATOM 0 HE ARG A 61 6.151 7.364 8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.272 4.202 9.464 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.627 4.589 11.062 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.821 8.045 10.578 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.374 6.745 11.687 1.00 0.00 H new ATOM 950 N MET A 62 4.114 4.261 4.896 1.00 0.00 N ATOM 951 CA MET A 62 2.736 3.837 5.268 1.00 0.00 C ATOM 952 C MET A 62 2.331 2.635 4.412 1.00 0.00 C ATOM 953 O MET A 62 1.609 1.763 4.851 1.00 0.00 O ATOM 954 CB MET A 62 1.763 4.993 5.018 1.00 0.00 C ATOM 955 CG MET A 62 1.612 5.819 6.298 1.00 0.00 C ATOM 956 SD MET A 62 1.026 7.478 5.878 1.00 0.00 S ATOM 957 CE MET A 62 2.589 8.112 5.222 1.00 0.00 C ATOM 0 H MET A 62 4.166 5.096 4.312 1.00 0.00 H new ATOM 0 HA MET A 62 2.708 3.562 6.322 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.130 5.623 4.207 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.793 4.605 4.706 1.00 0.00 H new ATOM 0 HG2 MET A 62 0.909 5.334 6.976 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.567 5.880 6.819 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.593 9.201 5.279 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.417 7.715 5.809 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.700 7.803 4.183 1.00 0.00 H new ATOM 967 N ILE A 63 2.793 2.580 3.192 1.00 0.00 N ATOM 968 CA ILE A 63 2.437 1.430 2.311 1.00 0.00 C ATOM 969 C ILE A 63 3.183 0.182 2.785 1.00 0.00 C ATOM 970 O ILE A 63 2.775 -0.933 2.532 1.00 0.00 O ATOM 971 CB ILE A 63 2.835 1.750 0.869 1.00 0.00 C ATOM 972 CG1 ILE A 63 1.883 2.806 0.306 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.744 0.484 0.020 1.00 0.00 C ATOM 974 CD1 ILE A 63 2.268 4.185 0.846 1.00 0.00 C ATOM 0 H ILE A 63 3.401 3.281 2.767 1.00 0.00 H new ATOM 0 HA ILE A 63 1.363 1.251 2.357 1.00 0.00 H new ATOM 0 HB ILE A 63 3.857 2.127 0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.927 2.806 -0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.856 2.569 0.584 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.028 0.714 -1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.417 -0.273 0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.722 0.106 0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.588 4.936 0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.202 4.181 1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.289 4.421 0.546 1.00 0.00 H new ATOM 986 N GLU A 64 4.274 0.363 3.472 1.00 0.00 N ATOM 987 CA GLU A 64 5.049 -0.808 3.966 1.00 0.00 C ATOM 988 C GLU A 64 4.427 -1.323 5.267 1.00 0.00 C ATOM 989 O GLU A 64 4.062 -2.476 5.378 1.00 0.00 O ATOM 990 CB GLU A 64 6.495 -0.382 4.225 1.00 0.00 C ATOM 991 CG GLU A 64 7.447 -1.375 3.558 1.00 0.00 C ATOM 992 CD GLU A 64 8.633 -1.643 4.486 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.398 -1.977 5.635 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.757 -1.509 4.031 1.00 0.00 O ATOM 0 H GLU A 64 4.664 1.274 3.714 1.00 0.00 H new ATOM 0 HA GLU A 64 5.029 -1.601 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.666 0.621 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.687 -0.342 5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.924 -2.306 3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.798 -0.976 2.607 1.00 0.00 H new ATOM 1001 N GLY A 65 4.307 -0.477 6.256 1.00 0.00 N ATOM 1002 CA GLY A 65 3.712 -0.919 7.549 1.00 0.00 C ATOM 1003 C GLY A 65 2.239 -1.275 7.343 1.00 0.00 C ATOM 1004 O GLY A 65 1.677 -2.076 8.063 1.00 0.00 O ATOM 0 H GLY A 65 4.596 0.501 6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.255 -1.783 7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.804 -0.127 8.293 1.00 0.00 H new ATOM 1008 N THR A 66 1.610 -0.685 6.364 1.00 0.00 N ATOM 1009 CA THR A 66 0.174 -0.991 6.112 1.00 0.00 C ATOM 1010 C THR A 66 0.068 -2.209 5.194 1.00 0.00 C ATOM 1011 O THR A 66 -0.813 -3.035 5.339 1.00 0.00 O ATOM 1012 CB THR A 66 -0.498 0.213 5.447 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.244 1.379 6.217 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.007 -0.027 5.363 1.00 0.00 C ATOM 0 H THR A 66 2.028 -0.005 5.729 1.00 0.00 H new ATOM 0 HA THR A 66 -0.324 -1.204 7.058 1.00 0.00 H new ATOM 0 HB THR A 66 -0.097 0.346 4.442 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.629 1.750 5.971 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.486 0.830 4.890 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.201 -0.923 4.773 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.411 -0.160 6.367 1.00 0.00 H new ATOM 1022 N ALA A 67 0.963 -2.332 4.253 1.00 0.00 N ATOM 1023 CA ALA A 67 0.919 -3.500 3.329 1.00 0.00 C ATOM 1024 C ALA A 67 1.720 -4.653 3.938 1.00 0.00 C ATOM 1025 O ALA A 67 2.018 -5.630 3.280 1.00 0.00 O ATOM 1026 CB ALA A 67 1.531 -3.111 1.983 1.00 0.00 C ATOM 0 H ALA A 67 1.723 -1.674 4.084 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.115 -3.809 3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.498 -3.966 1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.965 -2.286 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.566 -2.804 2.129 1.00 0.00 H new ATOM 1032 N ARG A 68 2.072 -4.543 5.189 1.00 0.00 N ATOM 1033 CA ARG A 68 2.855 -5.629 5.841 1.00 0.00 C ATOM 1034 C ARG A 68 2.000 -6.301 6.917 1.00 0.00 C ATOM 1035 O ARG A 68 2.054 -7.499 7.108 1.00 0.00 O ATOM 1036 CB ARG A 68 4.110 -5.034 6.485 1.00 0.00 C ATOM 1037 CG ARG A 68 5.215 -4.913 5.434 1.00 0.00 C ATOM 1038 CD ARG A 68 6.110 -6.152 5.493 1.00 0.00 C ATOM 1039 NE ARG A 68 7.260 -5.889 6.401 1.00 0.00 N ATOM 1040 CZ ARG A 68 7.588 -6.767 7.308 1.00 0.00 C ATOM 1041 NH1 ARG A 68 8.286 -7.819 6.976 1.00 0.00 N ATOM 1042 NH2 ARG A 68 7.217 -6.596 8.548 1.00 0.00 N ATOM 0 H ARG A 68 1.851 -3.748 5.788 1.00 0.00 H new ATOM 0 HA ARG A 68 3.144 -6.368 5.094 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.886 -4.054 6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.444 -5.666 7.308 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.778 -4.814 4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.806 -4.015 5.613 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.540 -7.009 5.850 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.470 -6.402 4.495 1.00 0.00 H new ATOM 0 HE ARG A 68 7.791 -5.023 6.314 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.575 -7.954 6.007 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.542 -8.506 7.685 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.670 -5.775 8.808 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.474 -7.283 9.257 1.00 0.00 H new ATOM 1056 N SER A 69 1.211 -5.537 7.624 1.00 0.00 N ATOM 1057 CA SER A 69 0.355 -6.132 8.688 1.00 0.00 C ATOM 1058 C SER A 69 -0.934 -6.672 8.066 1.00 0.00 C ATOM 1059 O SER A 69 -1.865 -7.033 8.760 1.00 0.00 O ATOM 1060 CB SER A 69 0.010 -5.060 9.722 1.00 0.00 C ATOM 1061 OG SER A 69 -0.928 -4.152 9.162 1.00 0.00 O ATOM 0 H SER A 69 1.123 -4.527 7.510 1.00 0.00 H new ATOM 0 HA SER A 69 0.893 -6.947 9.173 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.404 -5.522 10.618 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.912 -4.528 10.026 1.00 0.00 H new ATOM 0 HG SER A 69 -1.153 -3.464 9.823 1.00 0.00 H new ATOM 1067 N MET A 70 -0.999 -6.732 6.764 1.00 0.00 N ATOM 1068 CA MET A 70 -2.229 -7.249 6.103 1.00 0.00 C ATOM 1069 C MET A 70 -1.939 -8.612 5.472 1.00 0.00 C ATOM 1070 O MET A 70 -2.745 -9.155 4.743 1.00 0.00 O ATOM 1071 CB MET A 70 -2.673 -6.267 5.017 1.00 0.00 C ATOM 1072 CG MET A 70 -3.809 -5.393 5.554 1.00 0.00 C ATOM 1073 SD MET A 70 -3.534 -3.674 5.059 1.00 0.00 S ATOM 1074 CE MET A 70 -3.469 -3.958 3.273 1.00 0.00 C ATOM 0 H MET A 70 -0.253 -6.445 6.130 1.00 0.00 H new ATOM 0 HA MET A 70 -3.021 -7.356 6.844 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.833 -5.643 4.710 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.005 -6.811 4.133 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.766 -5.745 5.169 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.856 -5.467 6.640 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.079 -3.069 2.777 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.818 -4.806 3.063 1.00 0.00 H new ATOM 0 HE3 MET A 70 -4.472 -4.170 2.902 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.792 -9.173 5.748 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.452 -10.501 5.165 1.00 0.00 C ATOM 1086 C GLY A 71 0.265 -10.309 3.828 1.00 0.00 C ATOM 1087 O GLY A 71 0.425 -11.235 3.059 1.00 0.00 O ATOM 0 H GLY A 71 -0.077 -8.768 6.352 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.184 -11.059 5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.359 -11.089 5.021 1.00 0.00 H new ATOM 1091 N ILE A 72 0.700 -9.112 3.544 1.00 0.00 N ATOM 1092 CA ILE A 72 1.405 -8.860 2.256 1.00 0.00 C ATOM 1093 C ILE A 72 2.834 -8.395 2.539 1.00 0.00 C ATOM 1094 O ILE A 72 3.087 -7.689 3.492 1.00 0.00 O ATOM 1095 CB ILE A 72 0.666 -7.768 1.480 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.802 -8.163 1.315 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.306 -7.596 0.101 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.691 -6.957 1.624 1.00 0.00 C ATOM 0 H ILE A 72 0.597 -8.297 4.149 1.00 0.00 H new ATOM 0 HA ILE A 72 1.429 -9.778 1.669 1.00 0.00 H new ATOM 0 HB ILE A 72 0.730 -6.828 2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.984 -8.512 0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.045 -8.989 1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.778 -6.818 -0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.352 -7.312 0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.244 -8.535 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.738 -7.237 1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.516 -6.629 2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.454 -6.145 0.937 1.00 0.00 H new ATOM 1110 N VAL A 73 3.770 -8.776 1.715 1.00 0.00 N ATOM 1111 CA VAL A 73 5.175 -8.338 1.942 1.00 0.00 C ATOM 1112 C VAL A 73 5.576 -7.365 0.832 1.00 0.00 C ATOM 1113 O VAL A 73 4.816 -7.104 -0.080 1.00 0.00 O ATOM 1114 CB VAL A 73 6.106 -9.558 1.946 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.455 -9.974 0.515 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.392 -9.212 2.702 1.00 0.00 C ATOM 0 H VAL A 73 3.624 -9.369 0.898 1.00 0.00 H new ATOM 0 HA VAL A 73 5.257 -7.839 2.907 1.00 0.00 H new ATOM 0 HB VAL A 73 5.596 -10.387 2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.116 -10.841 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.542 -10.229 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.956 -9.149 0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.055 -10.077 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.889 -8.376 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.148 -8.937 3.728 1.00 0.00 H new ATOM 1126 N VAL A 74 6.759 -6.825 0.895 1.00 0.00 N ATOM 1127 CA VAL A 74 7.188 -5.874 -0.163 1.00 0.00 C ATOM 1128 C VAL A 74 8.690 -6.051 -0.421 1.00 0.00 C ATOM 1129 O VAL A 74 9.494 -6.012 0.490 1.00 0.00 O ATOM 1130 CB VAL A 74 6.861 -4.437 0.291 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.111 -3.726 0.830 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.297 -3.651 -0.893 1.00 0.00 C ATOM 0 H VAL A 74 7.444 -7.000 1.630 1.00 0.00 H new ATOM 0 HA VAL A 74 6.657 -6.070 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 74 6.126 -4.488 1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.848 -2.715 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.504 -4.279 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.869 -3.679 0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.064 -2.634 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.035 -3.622 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.389 -4.136 -1.252 1.00 0.00 H new ATOM 1142 N GLU A 75 9.075 -6.250 -1.653 1.00 0.00 N ATOM 1143 CA GLU A 75 10.521 -6.435 -1.956 1.00 0.00 C ATOM 1144 C GLU A 75 10.832 -5.888 -3.350 1.00 0.00 C ATOM 1145 O GLU A 75 10.132 -6.158 -4.305 1.00 0.00 O ATOM 1146 CB GLU A 75 10.863 -7.925 -1.906 1.00 0.00 C ATOM 1147 CG GLU A 75 11.346 -8.289 -0.500 1.00 0.00 C ATOM 1148 CD GLU A 75 11.641 -9.790 -0.434 1.00 0.00 C ATOM 1149 OE1 GLU A 75 12.734 -10.176 -0.815 1.00 0.00 O ATOM 1150 OE2 GLU A 75 10.769 -10.526 -0.003 1.00 0.00 O ATOM 0 H GLU A 75 8.452 -6.292 -2.460 1.00 0.00 H new ATOM 0 HA GLU A 75 11.116 -5.897 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.987 -8.519 -2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.635 -8.157 -2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.243 -7.720 -0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.588 -8.024 0.237 1.00 0.00 H new ATOM 1157 N ASP A 76 11.879 -5.118 -3.473 1.00 0.00 N ATOM 1158 CA ASP A 76 12.237 -4.552 -4.803 1.00 0.00 C ATOM 1159 C ASP A 76 12.636 -5.685 -5.750 1.00 0.00 C ATOM 1160 O ASP A 76 12.771 -5.422 -6.934 1.00 0.00 O ATOM 1161 CB ASP A 76 13.412 -3.585 -4.643 1.00 0.00 C ATOM 1162 CG ASP A 76 14.479 -4.223 -3.751 1.00 0.00 C ATOM 1163 OD1 ASP A 76 14.709 -5.412 -3.896 1.00 0.00 O ATOM 1164 OD2 ASP A 76 15.048 -3.512 -2.940 1.00 0.00 O ATOM 1165 OXT ASP A 76 12.800 -6.797 -5.275 1.00 0.00 O ATOM 0 H ASP A 76 12.502 -4.857 -2.709 1.00 0.00 H new ATOM 0 HA ASP A 76 11.379 -4.020 -5.215 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.834 -3.344 -5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.069 -2.648 -4.204 1.00 0.00 H new TER 1170 ASP A 76