USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 502 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 HIS : no HD1:sc= 0.811 K(o=2.1,f=-8.3!) USER MOD Set 1.2: A 62 TYR OH : rot -147:sc= 1.25 USER MOD Set 2.1: A 7 THR OG1 : rot -135:sc= 0.072 USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= -0.146 USER MOD Set 3.1: A 1 MET CE :methyl -146:sc= -0.64 (180deg=-2.26!) USER MOD Set 3.2: A 2 THR OG1 : rot 180:sc= 0.0934 USER MOD Single : A 1 MET N :NH3+ -156:sc= 1.29 (180deg=0.146!) USER MOD Single : A 3 HIS : no HE2:sc= 0.694 K(o=0.69,f=-6.6!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -143:sc= -0.112 (180deg=-3.11) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 129:sc= -0.686 USER MOD Single : A 13 SER OG : rot 180:sc= 0.159 USER MOD Single : A 14 CYS SG : rot 72:sc= -1.49! USER MOD Single : A 19 LYS NZ :NH3+ -121:sc= 0.983 (180deg=-1.32!) USER MOD Single : A 24 LYS NZ :NH3+ 139:sc= 1.14 (180deg=-1.33) USER MOD Single : A 29 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.21) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0717 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.38! USER MOD Single : A 41 GLN : amide:sc= -0.0965 X(o=-0.096,f=-0.071) USER MOD Single : A 48 THR OG1 : rot -172:sc= 0.126 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= 1.28 (180deg=1.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.311 1.321 -0.866 1.00 0.00 N ATOM 2 CA MET A 1 1.355 1.698 -2.297 1.00 0.00 C ATOM 3 C MET A 1 0.105 1.210 -3.021 1.00 0.00 C ATOM 4 O MET A 1 -0.630 1.999 -3.618 1.00 0.00 O ATOM 5 CB MET A 1 2.601 1.111 -2.965 1.00 0.00 C ATOM 6 CG MET A 1 3.012 1.842 -4.234 1.00 0.00 C ATOM 7 SD MET A 1 2.655 0.909 -5.737 1.00 0.00 S ATOM 8 CE MET A 1 3.345 -0.693 -5.330 1.00 0.00 C ATOM 0 H1 MET A 1 1.912 1.969 -0.318 1.00 0.00 H new ATOM 0 H2 MET A 1 0.332 1.382 -0.521 1.00 0.00 H new ATOM 0 H3 MET A 1 1.658 0.347 -0.753 1.00 0.00 H new ATOM 0 HA MET A 1 1.395 2.785 -2.360 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.429 1.136 -2.257 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.416 0.063 -3.203 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.495 2.801 -4.277 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.080 2.057 -4.192 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.753 -1.153 -6.230 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.139 -0.571 -4.593 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.564 -1.332 -4.918 1.00 0.00 H new ATOM 20 N THR A 2 -0.143 -0.092 -2.951 1.00 0.00 N ATOM 21 CA THR A 2 -1.245 -0.700 -3.673 1.00 0.00 C ATOM 22 C THR A 2 -2.571 -0.529 -2.935 1.00 0.00 C ATOM 23 O THR A 2 -3.059 -1.442 -2.269 1.00 0.00 O ATOM 24 CB THR A 2 -0.972 -2.192 -3.914 1.00 0.00 C ATOM 25 OG1 THR A 2 0.358 -2.515 -3.484 1.00 0.00 O ATOM 26 CG2 THR A 2 -1.129 -2.535 -5.388 1.00 0.00 C ATOM 0 H THR A 2 0.409 -0.747 -2.398 1.00 0.00 H new ATOM 0 HA THR A 2 -1.325 -0.187 -4.632 1.00 0.00 H new ATOM 0 HB THR A 2 -1.694 -2.774 -3.342 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.529 -3.468 -3.637 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.931 -3.596 -5.538 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.145 -2.306 -5.708 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.423 -1.948 -5.975 1.00 0.00 H new ATOM 34 N HIS A 3 -3.138 0.662 -3.039 1.00 0.00 N ATOM 35 CA HIS A 3 -4.472 0.917 -2.529 1.00 0.00 C ATOM 36 C HIS A 3 -5.335 1.475 -3.639 1.00 0.00 C ATOM 37 O HIS A 3 -4.880 2.269 -4.460 1.00 0.00 O ATOM 38 CB HIS A 3 -4.459 1.910 -1.374 1.00 0.00 C ATOM 39 CG HIS A 3 -4.368 1.295 -0.011 1.00 0.00 C ATOM 40 ND1 HIS A 3 -3.182 1.143 0.665 1.00 0.00 N ATOM 41 CD2 HIS A 3 -5.333 0.839 0.824 1.00 0.00 C ATOM 42 CE1 HIS A 3 -3.414 0.616 1.850 1.00 0.00 C ATOM 43 NE2 HIS A 3 -4.714 0.424 1.978 1.00 0.00 N ATOM 0 H HIS A 3 -2.692 1.469 -3.474 1.00 0.00 H new ATOM 0 HA HIS A 3 -4.872 -0.029 -2.163 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.616 2.588 -1.507 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.365 2.514 -1.424 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -2.263 1.399 0.305 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.393 0.808 0.620 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.666 0.380 2.592 1.00 0.00 H new ATOM 52 N LEU A 4 -6.580 1.081 -3.635 1.00 0.00 N ATOM 53 CA LEU A 4 -7.523 1.510 -4.651 1.00 0.00 C ATOM 54 C LEU A 4 -8.742 2.110 -3.985 1.00 0.00 C ATOM 55 O LEU A 4 -9.097 1.727 -2.875 1.00 0.00 O ATOM 56 CB LEU A 4 -7.933 0.338 -5.542 1.00 0.00 C ATOM 57 CG LEU A 4 -7.672 0.533 -7.037 1.00 0.00 C ATOM 58 CD1 LEU A 4 -6.198 0.335 -7.356 1.00 0.00 C ATOM 59 CD2 LEU A 4 -8.527 -0.422 -7.851 1.00 0.00 C ATOM 0 H LEU A 4 -6.975 0.456 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.045 2.261 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.401 -0.553 -5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.996 0.147 -5.397 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.943 1.555 -7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.034 0.478 -8.424 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.604 1.059 -6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.897 -0.674 -7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.331 -0.272 -8.913 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.285 -1.449 -7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.581 -0.232 -7.647 1.00 0.00 H new ATOM 71 N LYS A 5 -9.371 3.051 -4.653 1.00 0.00 N ATOM 72 CA LYS A 5 -10.530 3.728 -4.094 1.00 0.00 C ATOM 73 C LYS A 5 -11.795 3.353 -4.853 1.00 0.00 C ATOM 74 O LYS A 5 -11.809 3.326 -6.085 1.00 0.00 O ATOM 75 CB LYS A 5 -10.322 5.240 -4.123 1.00 0.00 C ATOM 76 CG LYS A 5 -11.078 5.979 -3.036 1.00 0.00 C ATOM 77 CD LYS A 5 -11.124 7.470 -3.317 1.00 0.00 C ATOM 78 CE LYS A 5 -12.539 7.941 -3.590 1.00 0.00 C ATOM 79 NZ LYS A 5 -13.193 8.456 -2.362 1.00 0.00 N ATOM 0 H LYS A 5 -9.103 3.368 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.647 3.408 -3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.258 5.454 -4.023 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -10.634 5.622 -5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.093 5.588 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.600 5.802 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.716 8.014 -2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.491 7.699 -4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.522 8.724 -4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.125 7.116 -3.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.159 8.769 -2.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.232 7.702 -1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.648 9.259 -1.989 1.00 0.00 H new ATOM 93 N ILE A 6 -12.854 3.075 -4.113 1.00 0.00 N ATOM 94 CA ILE A 6 -14.121 2.685 -4.709 1.00 0.00 C ATOM 95 C ILE A 6 -14.992 3.918 -4.935 1.00 0.00 C ATOM 96 O ILE A 6 -15.125 4.766 -4.052 1.00 0.00 O ATOM 97 CB ILE A 6 -14.856 1.640 -3.825 1.00 0.00 C ATOM 98 CG1 ILE A 6 -14.575 0.226 -4.336 1.00 0.00 C ATOM 99 CG2 ILE A 6 -16.362 1.888 -3.780 1.00 0.00 C ATOM 100 CD1 ILE A 6 -13.164 -0.255 -4.066 1.00 0.00 C ATOM 0 H ILE A 6 -12.862 3.112 -3.094 1.00 0.00 H new ATOM 0 HA ILE A 6 -13.921 2.217 -5.673 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.473 1.744 -2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -15.279 -0.464 -3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -14.760 0.195 -5.410 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -16.836 1.135 -3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -16.555 2.878 -3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -16.771 1.828 -4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -13.043 -1.265 -4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.453 0.411 -4.554 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -12.980 -0.258 -2.992 1.00 0.00 H new ATOM 112 N THR A 7 -15.548 4.026 -6.136 1.00 0.00 N ATOM 113 CA THR A 7 -16.406 5.140 -6.490 1.00 0.00 C ATOM 114 C THR A 7 -17.556 4.658 -7.371 1.00 0.00 C ATOM 115 O THR A 7 -17.524 3.539 -7.890 1.00 0.00 O ATOM 116 CB THR A 7 -15.604 6.233 -7.224 1.00 0.00 C ATOM 117 OG1 THR A 7 -14.246 5.802 -7.397 1.00 0.00 O ATOM 118 CG2 THR A 7 -15.625 7.536 -6.442 1.00 0.00 C ATOM 0 H THR A 7 -15.415 3.346 -6.885 1.00 0.00 H new ATOM 0 HA THR A 7 -16.813 5.565 -5.573 1.00 0.00 H new ATOM 0 HB THR A 7 -16.065 6.403 -8.197 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.638 6.534 -7.161 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.053 8.292 -6.979 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.655 7.874 -6.326 1.00 0.00 H new ATOM 0 HG23 THR A 7 -15.183 7.377 -5.458 1.00 0.00 H new ATOM 126 N GLY A 8 -18.582 5.482 -7.516 1.00 0.00 N ATOM 127 CA GLY A 8 -19.723 5.110 -8.330 1.00 0.00 C ATOM 128 C GLY A 8 -20.707 4.242 -7.570 1.00 0.00 C ATOM 129 O GLY A 8 -21.909 4.505 -7.567 1.00 0.00 O ATOM 0 H GLY A 8 -18.646 6.404 -7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -20.228 6.011 -8.678 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -19.378 4.576 -9.215 1.00 0.00 H new ATOM 133 N MET A 9 -20.188 3.207 -6.925 1.00 0.00 N ATOM 134 CA MET A 9 -21.003 2.292 -6.136 1.00 0.00 C ATOM 135 C MET A 9 -21.200 2.826 -4.724 1.00 0.00 C ATOM 136 O MET A 9 -20.950 4.002 -4.450 1.00 0.00 O ATOM 137 CB MET A 9 -20.345 0.917 -6.067 1.00 0.00 C ATOM 138 CG MET A 9 -20.132 0.283 -7.425 1.00 0.00 C ATOM 139 SD MET A 9 -18.905 -1.039 -7.383 1.00 0.00 S ATOM 140 CE MET A 9 -17.402 -0.097 -7.120 1.00 0.00 C ATOM 0 H MET A 9 -19.194 2.978 -6.933 1.00 0.00 H new ATOM 0 HA MET A 9 -21.974 2.205 -6.623 1.00 0.00 H new ATOM 0 HB2 MET A 9 -19.383 1.008 -5.562 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.963 0.257 -5.459 1.00 0.00 H new ATOM 0 HG2 MET A 9 -21.079 -0.115 -7.789 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.814 1.048 -8.134 1.00 0.00 H new ATOM 0 HE1 MET A 9 -16.585 -0.550 -7.682 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.551 0.928 -7.459 1.00 0.00 H new ATOM 0 HE3 MET A 9 -17.155 -0.095 -6.058 1.00 0.00 H new ATOM 150 N THR A 10 -21.646 1.960 -3.832 1.00 0.00 N ATOM 151 CA THR A 10 -21.773 2.319 -2.434 1.00 0.00 C ATOM 152 C THR A 10 -20.746 1.568 -1.592 1.00 0.00 C ATOM 153 O THR A 10 -19.759 2.157 -1.147 1.00 0.00 O ATOM 154 CB THR A 10 -23.197 2.047 -1.914 1.00 0.00 C ATOM 155 OG1 THR A 10 -24.152 2.577 -2.844 1.00 0.00 O ATOM 156 CG2 THR A 10 -23.410 2.683 -0.548 1.00 0.00 C ATOM 0 H THR A 10 -21.926 1.004 -4.052 1.00 0.00 H new ATOM 0 HA THR A 10 -21.582 3.389 -2.346 1.00 0.00 H new ATOM 0 HB THR A 10 -23.330 0.970 -1.815 1.00 0.00 H new ATOM 0 HG1 THR A 10 -25.059 2.404 -2.516 1.00 0.00 H new ATOM 0 HG21 THR A 10 -24.423 2.476 -0.204 1.00 0.00 H new ATOM 0 HG22 THR A 10 -22.694 2.269 0.162 1.00 0.00 H new ATOM 0 HG23 THR A 10 -23.265 3.761 -0.622 1.00 0.00 H new ATOM 164 N CYS A 11 -20.968 0.269 -1.395 1.00 0.00 N ATOM 165 CA CYS A 11 -20.065 -0.554 -0.603 1.00 0.00 C ATOM 166 C CYS A 11 -20.545 -2.003 -0.538 1.00 0.00 C ATOM 167 O CYS A 11 -21.504 -2.378 -1.208 1.00 0.00 O ATOM 168 CB CYS A 11 -19.941 0.012 0.810 1.00 0.00 C ATOM 169 SG CYS A 11 -21.521 0.329 1.630 1.00 0.00 S ATOM 0 H CYS A 11 -21.769 -0.234 -1.776 1.00 0.00 H new ATOM 0 HA CYS A 11 -19.089 -0.540 -1.088 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -19.364 -0.685 1.418 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -19.375 0.942 0.767 1.00 0.00 H new ATOM 0 HG CYS A 11 -21.518 -0.225 2.806 1.00 0.00 H new ATOM 175 N ASP A 12 -19.836 -2.805 0.256 1.00 0.00 N ATOM 176 CA ASP A 12 -20.209 -4.193 0.557 1.00 0.00 C ATOM 177 C ASP A 12 -20.417 -5.045 -0.689 1.00 0.00 C ATOM 178 O ASP A 12 -19.454 -5.565 -1.246 1.00 0.00 O ATOM 179 CB ASP A 12 -21.452 -4.238 1.453 1.00 0.00 C ATOM 180 CG ASP A 12 -21.698 -5.617 2.030 1.00 0.00 C ATOM 181 OD1 ASP A 12 -20.750 -6.215 2.584 1.00 0.00 O ATOM 182 OD2 ASP A 12 -22.841 -6.110 1.933 1.00 0.00 O ATOM 0 H ASP A 12 -18.975 -2.508 0.716 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.364 -4.628 1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -21.336 -3.522 2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -22.323 -3.927 0.877 1.00 0.00 H new ATOM 187 N SER A 13 -21.664 -5.197 -1.121 1.00 0.00 N ATOM 188 CA SER A 13 -21.970 -6.009 -2.290 1.00 0.00 C ATOM 189 C SER A 13 -21.282 -5.436 -3.523 1.00 0.00 C ATOM 190 O SER A 13 -20.923 -6.163 -4.449 1.00 0.00 O ATOM 191 CB SER A 13 -23.481 -6.074 -2.496 1.00 0.00 C ATOM 192 OG SER A 13 -24.161 -5.476 -1.400 1.00 0.00 O ATOM 0 H SER A 13 -22.477 -4.769 -0.679 1.00 0.00 H new ATOM 0 HA SER A 13 -21.597 -7.021 -2.130 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.750 -5.563 -3.420 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.795 -7.112 -2.603 1.00 0.00 H new ATOM 0 HG SER A 13 -25.128 -5.525 -1.549 1.00 0.00 H new ATOM 198 N CYS A 14 -21.081 -4.126 -3.511 1.00 0.00 N ATOM 199 CA CYS A 14 -20.334 -3.464 -4.564 1.00 0.00 C ATOM 200 C CYS A 14 -18.867 -3.863 -4.494 1.00 0.00 C ATOM 201 O CYS A 14 -18.233 -4.132 -5.514 1.00 0.00 O ATOM 202 CB CYS A 14 -20.469 -1.948 -4.435 1.00 0.00 C ATOM 203 SG CYS A 14 -22.159 -1.372 -4.143 1.00 0.00 S ATOM 0 H CYS A 14 -21.426 -3.502 -2.782 1.00 0.00 H new ATOM 0 HA CYS A 14 -20.740 -3.772 -5.527 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -19.835 -1.607 -3.616 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -20.091 -1.483 -5.346 1.00 0.00 H new ATOM 0 HG CYS A 14 -22.514 -1.668 -2.928 1.00 0.00 H new ATOM 209 N ALA A 15 -18.340 -3.929 -3.279 1.00 0.00 N ATOM 210 CA ALA A 15 -16.942 -4.280 -3.073 1.00 0.00 C ATOM 211 C ALA A 15 -16.697 -5.753 -3.390 1.00 0.00 C ATOM 212 O ALA A 15 -15.580 -6.150 -3.720 1.00 0.00 O ATOM 213 CB ALA A 15 -16.528 -3.968 -1.643 1.00 0.00 C ATOM 0 H ALA A 15 -18.860 -3.744 -2.421 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.335 -3.683 -3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.481 -4.235 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.661 -2.904 -1.450 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.145 -4.542 -0.952 1.00 0.00 H new ATOM 219 N ALA A 16 -17.754 -6.553 -3.305 1.00 0.00 N ATOM 220 CA ALA A 16 -17.660 -7.984 -3.553 1.00 0.00 C ATOM 221 C ALA A 16 -17.282 -8.264 -5.004 1.00 0.00 C ATOM 222 O ALA A 16 -16.401 -9.085 -5.279 1.00 0.00 O ATOM 223 CB ALA A 16 -18.972 -8.672 -3.203 1.00 0.00 C ATOM 0 H ALA A 16 -18.691 -6.230 -3.064 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.874 -8.387 -2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -18.884 -9.741 -3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.198 -8.509 -2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.774 -8.259 -3.814 1.00 0.00 H new ATOM 229 N HIS A 17 -17.935 -7.570 -5.929 1.00 0.00 N ATOM 230 CA HIS A 17 -17.649 -7.749 -7.345 1.00 0.00 C ATOM 231 C HIS A 17 -16.302 -7.146 -7.689 1.00 0.00 C ATOM 232 O HIS A 17 -15.600 -7.639 -8.567 1.00 0.00 O ATOM 233 CB HIS A 17 -18.729 -7.119 -8.218 1.00 0.00 C ATOM 234 CG HIS A 17 -18.838 -7.758 -9.576 1.00 0.00 C ATOM 235 ND1 HIS A 17 -19.429 -7.143 -10.657 1.00 0.00 N ATOM 236 CD2 HIS A 17 -18.397 -8.959 -10.026 1.00 0.00 C ATOM 237 CE1 HIS A 17 -19.347 -7.937 -11.711 1.00 0.00 C ATOM 238 NE2 HIS A 17 -18.727 -9.046 -11.356 1.00 0.00 N ATOM 0 H HIS A 17 -18.661 -6.883 -5.725 1.00 0.00 H new ATOM 0 HA HIS A 17 -17.631 -8.821 -7.544 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.690 -7.196 -7.709 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -18.516 -6.057 -8.339 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -17.881 -9.709 -9.445 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -19.725 -7.715 -12.698 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -18.526 -9.837 -11.968 1.00 0.00 H new ATOM 247 N VAL A 18 -15.954 -6.070 -7.001 1.00 0.00 N ATOM 248 CA VAL A 18 -14.643 -5.455 -7.162 1.00 0.00 C ATOM 249 C VAL A 18 -13.553 -6.450 -6.775 1.00 0.00 C ATOM 250 O VAL A 18 -12.602 -6.668 -7.524 1.00 0.00 O ATOM 251 CB VAL A 18 -14.506 -4.172 -6.310 1.00 0.00 C ATOM 252 CG1 VAL A 18 -13.068 -3.676 -6.291 1.00 0.00 C ATOM 253 CG2 VAL A 18 -15.433 -3.087 -6.832 1.00 0.00 C ATOM 0 H VAL A 18 -16.560 -5.604 -6.326 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.532 -5.175 -8.210 1.00 0.00 H new ATOM 0 HB VAL A 18 -14.792 -4.416 -5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.003 -2.773 -5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.423 -4.446 -5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.746 -3.454 -7.308 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -15.324 -2.191 -6.221 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.176 -2.855 -7.866 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.465 -3.436 -6.784 1.00 0.00 H new ATOM 263 N LYS A 19 -13.719 -7.076 -5.616 1.00 0.00 N ATOM 264 CA LYS A 19 -12.777 -8.085 -5.146 1.00 0.00 C ATOM 265 C LYS A 19 -12.762 -9.282 -6.092 1.00 0.00 C ATOM 266 O LYS A 19 -11.708 -9.852 -6.373 1.00 0.00 O ATOM 267 CB LYS A 19 -13.149 -8.532 -3.728 1.00 0.00 C ATOM 268 CG LYS A 19 -12.279 -9.655 -3.179 1.00 0.00 C ATOM 269 CD LYS A 19 -13.123 -10.769 -2.581 1.00 0.00 C ATOM 270 CE LYS A 19 -12.307 -11.639 -1.641 1.00 0.00 C ATOM 271 NZ LYS A 19 -12.140 -13.023 -2.164 1.00 0.00 N ATOM 0 H LYS A 19 -14.499 -6.902 -4.983 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.778 -7.648 -5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.080 -7.674 -3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.189 -8.858 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.655 -10.057 -3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.607 -9.258 -2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.966 -10.339 -2.041 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -13.537 -11.383 -3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.326 -11.188 -1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.795 -11.676 -0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.535 -13.702 -1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.639 -13.114 -3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.129 -13.222 -2.303 1.00 0.00 H new ATOM 285 N GLU A 20 -13.935 -9.647 -6.592 1.00 0.00 N ATOM 286 CA GLU A 20 -14.060 -10.760 -7.524 1.00 0.00 C ATOM 287 C GLU A 20 -13.344 -10.459 -8.835 1.00 0.00 C ATOM 288 O GLU A 20 -12.634 -11.309 -9.377 1.00 0.00 O ATOM 289 CB GLU A 20 -15.535 -11.064 -7.788 1.00 0.00 C ATOM 290 CG GLU A 20 -15.804 -12.505 -8.190 1.00 0.00 C ATOM 291 CD GLU A 20 -16.449 -12.622 -9.557 1.00 0.00 C ATOM 292 OE1 GLU A 20 -16.533 -11.603 -10.275 1.00 0.00 O ATOM 293 OE2 GLU A 20 -16.871 -13.737 -9.926 1.00 0.00 O ATOM 0 H GLU A 20 -14.817 -9.187 -6.367 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.591 -11.634 -7.073 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.110 -10.834 -6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.897 -10.404 -8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.866 -13.060 -8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.451 -12.970 -7.447 1.00 0.00 H new ATOM 300 N ALA A 21 -13.519 -9.240 -9.327 1.00 0.00 N ATOM 301 CA ALA A 21 -12.882 -8.815 -10.565 1.00 0.00 C ATOM 302 C ALA A 21 -11.373 -8.757 -10.384 1.00 0.00 C ATOM 303 O ALA A 21 -10.611 -9.031 -11.311 1.00 0.00 O ATOM 304 CB ALA A 21 -13.418 -7.460 -11.005 1.00 0.00 C ATOM 0 H ALA A 21 -14.099 -8.526 -8.886 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.113 -9.543 -11.343 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.930 -7.159 -11.932 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.494 -7.529 -11.167 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.215 -6.720 -10.231 1.00 0.00 H new ATOM 310 N LEU A 22 -10.957 -8.399 -9.177 1.00 0.00 N ATOM 311 CA LEU A 22 -9.545 -8.361 -8.831 1.00 0.00 C ATOM 312 C LEU A 22 -8.964 -9.767 -8.842 1.00 0.00 C ATOM 313 O LEU A 22 -7.889 -10.001 -9.389 1.00 0.00 O ATOM 314 CB LEU A 22 -9.349 -7.721 -7.456 1.00 0.00 C ATOM 315 CG LEU A 22 -9.240 -6.195 -7.465 1.00 0.00 C ATOM 316 CD1 LEU A 22 -9.584 -5.628 -6.099 1.00 0.00 C ATOM 317 CD2 LEU A 22 -7.843 -5.762 -7.884 1.00 0.00 C ATOM 0 H LEU A 22 -11.582 -8.129 -8.418 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.022 -7.758 -9.573 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.184 -8.007 -6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.446 -8.133 -7.005 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.954 -5.804 -8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.501 -4.541 -6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.604 -5.908 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.894 -6.027 -5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.784 -4.674 -7.885 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.112 -6.164 -7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.631 -6.137 -8.885 1.00 0.00 H new ATOM 329 N GLU A 23 -9.695 -10.700 -8.239 1.00 0.00 N ATOM 330 CA GLU A 23 -9.260 -12.088 -8.166 1.00 0.00 C ATOM 331 C GLU A 23 -9.449 -12.797 -9.502 1.00 0.00 C ATOM 332 O GLU A 23 -8.930 -13.892 -9.714 1.00 0.00 O ATOM 333 CB GLU A 23 -10.005 -12.825 -7.055 1.00 0.00 C ATOM 334 CG GLU A 23 -9.280 -12.758 -5.724 1.00 0.00 C ATOM 335 CD GLU A 23 -10.107 -13.272 -4.565 1.00 0.00 C ATOM 336 OE1 GLU A 23 -11.137 -13.933 -4.798 1.00 0.00 O ATOM 337 OE2 GLU A 23 -9.725 -13.019 -3.402 1.00 0.00 O ATOM 0 H GLU A 23 -10.594 -10.517 -7.793 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.195 -12.094 -7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.001 -12.397 -6.944 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.137 -13.869 -7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.360 -13.338 -5.790 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.992 -11.725 -5.526 1.00 0.00 H new ATOM 344 N LYS A 24 -10.200 -12.171 -10.400 1.00 0.00 N ATOM 345 CA LYS A 24 -10.336 -12.670 -11.759 1.00 0.00 C ATOM 346 C LYS A 24 -9.053 -12.376 -12.526 1.00 0.00 C ATOM 347 O LYS A 24 -8.752 -13.007 -13.541 1.00 0.00 O ATOM 348 CB LYS A 24 -11.530 -12.016 -12.455 1.00 0.00 C ATOM 349 CG LYS A 24 -12.727 -12.938 -12.620 1.00 0.00 C ATOM 350 CD LYS A 24 -14.041 -12.183 -12.485 1.00 0.00 C ATOM 351 CE LYS A 24 -15.132 -12.805 -13.341 1.00 0.00 C ATOM 352 NZ LYS A 24 -16.471 -12.712 -12.695 1.00 0.00 N ATOM 0 H LYS A 24 -10.724 -11.317 -10.210 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.509 -13.746 -11.732 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.835 -11.139 -11.884 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.217 -11.664 -13.438 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.683 -13.420 -13.596 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.683 -13.729 -11.871 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.354 -12.179 -11.441 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.896 -11.143 -12.778 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.162 -12.306 -14.309 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.892 -13.852 -13.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.185 -12.468 -13.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.712 -13.627 -12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.452 -11.976 -11.960 1.00 0.00 H new ATOM 366 N VAL A 25 -8.310 -11.399 -12.030 1.00 0.00 N ATOM 367 CA VAL A 25 -7.009 -11.062 -12.572 1.00 0.00 C ATOM 368 C VAL A 25 -5.938 -11.942 -11.926 1.00 0.00 C ATOM 369 O VAL A 25 -5.756 -11.912 -10.710 1.00 0.00 O ATOM 370 CB VAL A 25 -6.679 -9.573 -12.332 1.00 0.00 C ATOM 371 CG1 VAL A 25 -5.259 -9.245 -12.772 1.00 0.00 C ATOM 372 CG2 VAL A 25 -7.681 -8.679 -13.048 1.00 0.00 C ATOM 0 H VAL A 25 -8.594 -10.819 -11.241 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.027 -11.239 -13.647 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.750 -9.384 -11.261 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.056 -8.189 -12.590 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.553 -9.853 -12.206 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.149 -9.458 -13.835 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.431 -7.634 -12.866 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.647 -8.879 -14.119 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.684 -8.883 -12.672 1.00 0.00 H new ATOM 382 N PRO A 26 -5.208 -12.727 -12.733 1.00 0.00 N ATOM 383 CA PRO A 26 -4.202 -13.680 -12.231 1.00 0.00 C ATOM 384 C PRO A 26 -2.955 -12.998 -11.659 1.00 0.00 C ATOM 385 O PRO A 26 -1.972 -13.661 -11.319 1.00 0.00 O ATOM 386 CB PRO A 26 -3.839 -14.496 -13.473 1.00 0.00 C ATOM 387 CG PRO A 26 -4.124 -13.585 -14.615 1.00 0.00 C ATOM 388 CD PRO A 26 -5.308 -12.758 -14.203 1.00 0.00 C ATOM 0 HA PRO A 26 -4.593 -14.273 -11.404 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.792 -14.797 -13.458 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.432 -15.408 -13.536 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -3.264 -12.952 -14.833 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -4.341 -14.151 -15.521 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.266 -11.756 -14.630 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.245 -13.206 -14.533 1.00 0.00 H new ATOM 396 N GLY A 27 -2.986 -11.678 -11.575 1.00 0.00 N ATOM 397 CA GLY A 27 -1.875 -10.943 -11.010 1.00 0.00 C ATOM 398 C GLY A 27 -2.100 -10.617 -9.549 1.00 0.00 C ATOM 399 O GLY A 27 -1.213 -10.098 -8.878 1.00 0.00 O ATOM 0 H GLY A 27 -3.765 -11.100 -11.890 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.961 -11.528 -11.115 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.728 -10.019 -11.570 1.00 0.00 H new ATOM 403 N VAL A 28 -3.291 -10.925 -9.057 1.00 0.00 N ATOM 404 CA VAL A 28 -3.645 -10.644 -7.674 1.00 0.00 C ATOM 405 C VAL A 28 -3.035 -11.678 -6.732 1.00 0.00 C ATOM 406 O VAL A 28 -2.890 -12.852 -7.078 1.00 0.00 O ATOM 407 CB VAL A 28 -5.183 -10.583 -7.487 1.00 0.00 C ATOM 408 CG1 VAL A 28 -5.775 -11.964 -7.235 1.00 0.00 C ATOM 409 CG2 VAL A 28 -5.547 -9.622 -6.363 1.00 0.00 C ATOM 0 H VAL A 28 -4.031 -11.372 -9.598 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.234 -9.666 -7.424 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.615 -10.210 -8.415 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.854 -11.880 -7.109 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.558 -12.613 -8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.336 -12.389 -6.332 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.630 -9.592 -6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.091 -9.961 -5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.181 -8.624 -6.604 1.00 0.00 H new ATOM 419 N GLN A 29 -2.645 -11.221 -5.557 1.00 0.00 N ATOM 420 CA GLN A 29 -2.123 -12.098 -4.523 1.00 0.00 C ATOM 421 C GLN A 29 -3.112 -12.174 -3.371 1.00 0.00 C ATOM 422 O GLN A 29 -3.497 -13.255 -2.931 1.00 0.00 O ATOM 423 CB GLN A 29 -0.777 -11.580 -4.013 1.00 0.00 C ATOM 424 CG GLN A 29 0.335 -11.628 -5.046 1.00 0.00 C ATOM 425 CD GLN A 29 1.573 -12.331 -4.531 1.00 0.00 C ATOM 426 OE1 GLN A 29 1.978 -12.143 -3.383 1.00 0.00 O ATOM 427 NE2 GLN A 29 2.176 -13.154 -5.373 1.00 0.00 N ATOM 0 H GLN A 29 -2.680 -10.237 -5.292 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.978 -13.092 -4.946 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.900 -10.551 -3.674 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.478 -12.168 -3.145 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.025 -12.139 -5.939 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.595 -10.612 -5.343 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.807 -13.280 -6.315 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.010 -13.662 -5.080 1.00 0.00 H new ATOM 436 N SER A 30 -3.533 -11.007 -2.908 1.00 0.00 N ATOM 437 CA SER A 30 -4.436 -10.909 -1.770 1.00 0.00 C ATOM 438 C SER A 30 -5.229 -9.609 -1.836 1.00 0.00 C ATOM 439 O SER A 30 -4.730 -8.543 -1.474 1.00 0.00 O ATOM 440 CB SER A 30 -3.645 -10.977 -0.457 1.00 0.00 C ATOM 441 OG SER A 30 -2.262 -11.188 -0.698 1.00 0.00 O ATOM 0 H SER A 30 -3.262 -10.108 -3.306 1.00 0.00 H new ATOM 0 HA SER A 30 -5.132 -11.747 -1.805 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.782 -10.051 0.101 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.035 -11.783 0.164 1.00 0.00 H new ATOM 0 HG SER A 30 -1.783 -11.225 0.156 1.00 0.00 H new ATOM 447 N ALA A 31 -6.453 -9.695 -2.327 1.00 0.00 N ATOM 448 CA ALA A 31 -7.304 -8.526 -2.458 1.00 0.00 C ATOM 449 C ALA A 31 -8.283 -8.434 -1.296 1.00 0.00 C ATOM 450 O ALA A 31 -9.246 -9.199 -1.221 1.00 0.00 O ATOM 451 CB ALA A 31 -8.054 -8.562 -3.783 1.00 0.00 C ATOM 0 H ALA A 31 -6.881 -10.566 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.670 -7.640 -2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.688 -7.679 -3.866 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.339 -8.575 -4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.673 -9.458 -3.827 1.00 0.00 H new ATOM 457 N LEU A 32 -8.031 -7.512 -0.379 1.00 0.00 N ATOM 458 CA LEU A 32 -8.942 -7.286 0.729 1.00 0.00 C ATOM 459 C LEU A 32 -9.516 -5.879 0.647 1.00 0.00 C ATOM 460 O LEU A 32 -8.809 -4.890 0.836 1.00 0.00 O ATOM 461 CB LEU A 32 -8.249 -7.519 2.079 1.00 0.00 C ATOM 462 CG LEU A 32 -6.887 -6.847 2.258 1.00 0.00 C ATOM 463 CD1 LEU A 32 -6.853 -6.059 3.559 1.00 0.00 C ATOM 464 CD2 LEU A 32 -5.771 -7.881 2.234 1.00 0.00 C ATOM 0 H LEU A 32 -7.207 -6.911 -0.381 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.759 -8.004 0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.912 -7.169 2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.124 -8.593 2.220 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.732 -6.157 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.877 -5.586 3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.628 -5.292 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.030 -6.733 4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.810 -7.382 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.920 -8.596 3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.782 -8.406 1.279 1.00 0.00 H new ATOM 476 N VAL A 33 -10.795 -5.797 0.333 1.00 0.00 N ATOM 477 CA VAL A 33 -11.456 -4.514 0.178 1.00 0.00 C ATOM 478 C VAL A 33 -12.126 -4.104 1.482 1.00 0.00 C ATOM 479 O VAL A 33 -12.778 -4.920 2.139 1.00 0.00 O ATOM 480 CB VAL A 33 -12.512 -4.556 -0.948 1.00 0.00 C ATOM 481 CG1 VAL A 33 -12.961 -3.151 -1.323 1.00 0.00 C ATOM 482 CG2 VAL A 33 -11.975 -5.291 -2.169 1.00 0.00 C ATOM 0 H VAL A 33 -11.398 -6.605 0.180 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.694 -3.782 -0.089 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.378 -5.103 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.705 -3.207 -2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.398 -2.664 -0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.103 -2.575 -1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.737 -5.307 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.087 -4.779 -2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.716 -6.313 -1.894 1.00 0.00 H new ATOM 492 N SER A 34 -11.948 -2.851 1.862 1.00 0.00 N ATOM 493 CA SER A 34 -12.565 -2.319 3.058 1.00 0.00 C ATOM 494 C SER A 34 -13.823 -1.537 2.695 1.00 0.00 C ATOM 495 O SER A 34 -13.759 -0.354 2.335 1.00 0.00 O ATOM 496 CB SER A 34 -11.573 -1.428 3.804 1.00 0.00 C ATOM 497 OG SER A 34 -10.255 -1.605 3.307 1.00 0.00 O ATOM 0 H SER A 34 -11.375 -2.179 1.352 1.00 0.00 H new ATOM 0 HA SER A 34 -12.849 -3.144 3.711 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.867 -0.384 3.700 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.598 -1.662 4.868 1.00 0.00 H new ATOM 0 HG SER A 34 -9.639 -1.023 3.799 1.00 0.00 H new ATOM 503 N TYR A 35 -14.963 -2.211 2.782 1.00 0.00 N ATOM 504 CA TYR A 35 -16.248 -1.622 2.450 1.00 0.00 C ATOM 505 C TYR A 35 -16.574 -0.390 3.321 1.00 0.00 C ATOM 506 O TYR A 35 -17.032 0.616 2.781 1.00 0.00 O ATOM 507 CB TYR A 35 -17.355 -2.705 2.486 1.00 0.00 C ATOM 508 CG TYR A 35 -18.353 -2.624 3.631 1.00 0.00 C ATOM 509 CD1 TYR A 35 -19.351 -1.657 3.654 1.00 0.00 C ATOM 510 CD2 TYR A 35 -18.297 -3.527 4.685 1.00 0.00 C ATOM 511 CE1 TYR A 35 -20.254 -1.585 4.693 1.00 0.00 C ATOM 512 CE2 TYR A 35 -19.202 -3.465 5.727 1.00 0.00 C ATOM 513 CZ TYR A 35 -20.175 -2.490 5.727 1.00 0.00 C ATOM 514 OH TYR A 35 -21.069 -2.415 6.771 1.00 0.00 O ATOM 0 H TYR A 35 -15.019 -3.183 3.086 1.00 0.00 H new ATOM 0 HA TYR A 35 -16.197 -1.239 1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -17.908 -2.657 1.548 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -16.874 -3.682 2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -19.420 -0.948 2.842 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.533 -4.290 4.690 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -21.019 -0.823 4.696 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.147 -4.177 6.537 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.878 -3.126 7.417 1.00 0.00 H new ATOM 524 N PRO A 36 -16.342 -0.414 4.659 1.00 0.00 N ATOM 525 CA PRO A 36 -16.652 0.735 5.524 1.00 0.00 C ATOM 526 C PRO A 36 -15.682 1.897 5.312 1.00 0.00 C ATOM 527 O PRO A 36 -15.866 2.989 5.856 1.00 0.00 O ATOM 528 CB PRO A 36 -16.512 0.180 6.950 1.00 0.00 C ATOM 529 CG PRO A 36 -16.397 -1.298 6.795 1.00 0.00 C ATOM 530 CD PRO A 36 -15.783 -1.523 5.451 1.00 0.00 C ATOM 0 HA PRO A 36 -17.642 1.139 5.311 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.633 0.592 7.446 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -17.376 0.444 7.560 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.778 -1.726 7.584 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.375 -1.775 6.862 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.694 -1.486 5.490 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.054 -2.495 5.038 1.00 0.00 H new ATOM 538 N LYS A 37 -14.648 1.647 4.522 1.00 0.00 N ATOM 539 CA LYS A 37 -13.640 2.647 4.225 1.00 0.00 C ATOM 540 C LYS A 37 -13.851 3.225 2.831 1.00 0.00 C ATOM 541 O LYS A 37 -13.565 4.398 2.578 1.00 0.00 O ATOM 542 CB LYS A 37 -12.254 2.013 4.308 1.00 0.00 C ATOM 543 CG LYS A 37 -11.611 2.129 5.674 1.00 0.00 C ATOM 544 CD LYS A 37 -10.560 3.221 5.692 1.00 0.00 C ATOM 545 CE LYS A 37 -9.363 2.826 6.536 1.00 0.00 C ATOM 546 NZ LYS A 37 -9.474 3.337 7.926 1.00 0.00 N ATOM 0 H LYS A 37 -14.487 0.746 4.071 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.723 3.453 4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.330 0.959 4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.605 2.483 3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.375 2.343 6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.155 1.177 5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.235 3.431 4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.995 4.140 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.274 1.740 6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.452 3.213 6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.637 3.046 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.533 4.375 7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.329 2.948 8.372 1.00 0.00 H new ATOM 560 N GLY A 38 -14.354 2.391 1.930 1.00 0.00 N ATOM 561 CA GLY A 38 -14.503 2.790 0.545 1.00 0.00 C ATOM 562 C GLY A 38 -13.204 2.631 -0.210 1.00 0.00 C ATOM 563 O GLY A 38 -13.000 3.233 -1.265 1.00 0.00 O ATOM 0 H GLY A 38 -14.663 1.441 2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.278 2.188 0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.831 3.828 0.496 1.00 0.00 H new ATOM 567 N THR A 39 -12.323 1.808 0.337 1.00 0.00 N ATOM 568 CA THR A 39 -11.006 1.609 -0.236 1.00 0.00 C ATOM 569 C THR A 39 -10.691 0.122 -0.330 1.00 0.00 C ATOM 570 O THR A 39 -11.311 -0.693 0.346 1.00 0.00 O ATOM 571 CB THR A 39 -9.928 2.314 0.612 1.00 0.00 C ATOM 572 OG1 THR A 39 -10.541 2.952 1.739 1.00 0.00 O ATOM 573 CG2 THR A 39 -9.175 3.354 -0.205 1.00 0.00 C ATOM 0 H THR A 39 -12.500 1.265 1.182 1.00 0.00 H new ATOM 0 HA THR A 39 -11.003 2.042 -1.236 1.00 0.00 H new ATOM 0 HB THR A 39 -9.218 1.559 0.949 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.853 3.398 2.277 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.422 3.833 0.421 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.688 2.869 -1.051 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.875 4.106 -0.571 1.00 0.00 H new ATOM 581 N ALA A 40 -9.743 -0.225 -1.180 1.00 0.00 N ATOM 582 CA ALA A 40 -9.330 -1.607 -1.341 1.00 0.00 C ATOM 583 C ALA A 40 -7.840 -1.751 -1.083 1.00 0.00 C ATOM 584 O ALA A 40 -7.035 -0.956 -1.576 1.00 0.00 O ATOM 585 CB ALA A 40 -9.677 -2.102 -2.737 1.00 0.00 C ATOM 0 H ALA A 40 -9.241 0.436 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.866 -2.216 -0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.362 -3.140 -2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.754 -2.032 -2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.164 -1.489 -3.478 1.00 0.00 H new ATOM 591 N GLN A 41 -7.477 -2.756 -0.301 1.00 0.00 N ATOM 592 CA GLN A 41 -6.080 -3.055 -0.042 1.00 0.00 C ATOM 593 C GLN A 41 -5.698 -4.331 -0.772 1.00 0.00 C ATOM 594 O GLN A 41 -5.612 -5.407 -0.179 1.00 0.00 O ATOM 595 CB GLN A 41 -5.819 -3.200 1.458 1.00 0.00 C ATOM 596 CG GLN A 41 -4.372 -2.942 1.846 1.00 0.00 C ATOM 597 CD GLN A 41 -3.767 -4.081 2.645 1.00 0.00 C ATOM 598 OE1 GLN A 41 -3.640 -3.998 3.863 1.00 0.00 O ATOM 599 NE2 GLN A 41 -3.391 -5.154 1.967 1.00 0.00 N ATOM 0 H GLN A 41 -8.135 -3.380 0.166 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.468 -2.230 -0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.462 -2.507 2.000 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.098 -4.206 1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.781 -2.783 0.944 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.315 -2.024 2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.513 -5.186 0.955 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.980 -5.949 2.457 1.00 0.00 H new ATOM 608 N LEU A 42 -5.493 -4.208 -2.065 1.00 0.00 N ATOM 609 CA LEU A 42 -5.210 -5.360 -2.893 1.00 0.00 C ATOM 610 C LEU A 42 -3.711 -5.520 -3.124 1.00 0.00 C ATOM 611 O LEU A 42 -3.029 -4.605 -3.578 1.00 0.00 O ATOM 612 CB LEU A 42 -6.011 -5.315 -4.226 1.00 0.00 C ATOM 613 CG LEU A 42 -5.710 -4.197 -5.262 1.00 0.00 C ATOM 614 CD1 LEU A 42 -5.451 -2.839 -4.620 1.00 0.00 C ATOM 615 CD2 LEU A 42 -4.555 -4.593 -6.167 1.00 0.00 C ATOM 0 H LEU A 42 -5.517 -3.320 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.546 -6.247 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.866 -6.272 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.068 -5.247 -3.970 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.611 -4.088 -5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.247 -2.102 -5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.328 -2.533 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.592 -2.910 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.364 -3.794 -6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.662 -4.762 -5.565 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.810 -5.507 -6.703 1.00 0.00 H new ATOM 627 N ALA A 43 -3.198 -6.679 -2.748 1.00 0.00 N ATOM 628 CA ALA A 43 -1.812 -7.023 -3.005 1.00 0.00 C ATOM 629 C ALA A 43 -1.713 -7.769 -4.322 1.00 0.00 C ATOM 630 O ALA A 43 -2.497 -8.685 -4.584 1.00 0.00 O ATOM 631 CB ALA A 43 -1.251 -7.863 -1.867 1.00 0.00 C ATOM 0 H ALA A 43 -3.726 -7.402 -2.260 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.222 -6.109 -3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.211 -8.112 -2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.309 -7.299 -0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.831 -8.781 -1.772 1.00 0.00 H new ATOM 637 N ILE A 44 -0.770 -7.372 -5.157 1.00 0.00 N ATOM 638 CA ILE A 44 -0.620 -7.979 -6.469 1.00 0.00 C ATOM 639 C ILE A 44 0.831 -8.338 -6.742 1.00 0.00 C ATOM 640 O ILE A 44 1.747 -7.846 -6.076 1.00 0.00 O ATOM 641 CB ILE A 44 -1.125 -7.055 -7.602 1.00 0.00 C ATOM 642 CG1 ILE A 44 -0.711 -5.602 -7.348 1.00 0.00 C ATOM 643 CG2 ILE A 44 -2.637 -7.165 -7.748 1.00 0.00 C ATOM 644 CD1 ILE A 44 -0.545 -4.788 -8.614 1.00 0.00 C ATOM 0 H ILE A 44 -0.097 -6.633 -4.952 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.229 -8.883 -6.458 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.664 -7.379 -8.535 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.460 -5.125 -6.715 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.228 -5.592 -6.794 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.974 -6.508 -8.550 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.906 -8.194 -7.985 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.115 -6.872 -6.813 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.251 -3.770 -8.356 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.225 -5.241 -9.239 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.489 -4.766 -9.159 1.00 0.00 H new ATOM 656 N VAL A 45 1.028 -9.208 -7.716 1.00 0.00 N ATOM 657 CA VAL A 45 2.356 -9.604 -8.142 1.00 0.00 C ATOM 658 C VAL A 45 2.995 -8.467 -8.948 1.00 0.00 C ATOM 659 O VAL A 45 2.279 -7.672 -9.566 1.00 0.00 O ATOM 660 CB VAL A 45 2.288 -10.920 -8.971 1.00 0.00 C ATOM 661 CG1 VAL A 45 2.393 -10.660 -10.469 1.00 0.00 C ATOM 662 CG2 VAL A 45 3.361 -11.899 -8.520 1.00 0.00 C ATOM 0 H VAL A 45 0.273 -9.659 -8.233 1.00 0.00 H new ATOM 0 HA VAL A 45 2.977 -9.798 -7.268 1.00 0.00 H new ATOM 0 HB VAL A 45 1.310 -11.365 -8.787 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.341 -11.606 -11.007 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.571 -10.017 -10.785 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.342 -10.170 -10.688 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.294 -12.811 -9.113 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.344 -11.449 -8.656 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.215 -12.140 -7.467 1.00 0.00 H new ATOM 672 N PRO A 46 4.336 -8.340 -8.911 1.00 0.00 N ATOM 673 CA PRO A 46 5.066 -7.323 -9.686 1.00 0.00 C ATOM 674 C PRO A 46 4.992 -7.572 -11.192 1.00 0.00 C ATOM 675 O PRO A 46 6.003 -7.827 -11.852 1.00 0.00 O ATOM 676 CB PRO A 46 6.514 -7.454 -9.195 1.00 0.00 C ATOM 677 CG PRO A 46 6.433 -8.242 -7.932 1.00 0.00 C ATOM 678 CD PRO A 46 5.249 -9.147 -8.091 1.00 0.00 C ATOM 0 HA PRO A 46 4.643 -6.329 -9.539 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.136 -7.959 -9.934 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.960 -6.475 -9.020 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.345 -8.816 -7.770 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.311 -7.587 -7.069 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.517 -10.082 -8.583 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.807 -9.408 -7.130 1.00 0.00 H new ATOM 686 N GLY A 47 3.785 -7.517 -11.720 1.00 0.00 N ATOM 687 CA GLY A 47 3.559 -7.709 -13.135 1.00 0.00 C ATOM 688 C GLY A 47 2.297 -7.010 -13.578 1.00 0.00 C ATOM 689 O GLY A 47 2.211 -6.500 -14.696 1.00 0.00 O ATOM 0 H GLY A 47 2.938 -7.339 -11.181 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.409 -7.325 -13.699 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.486 -8.774 -13.355 1.00 0.00 H new ATOM 693 N THR A 48 1.313 -6.995 -12.690 1.00 0.00 N ATOM 694 CA THR A 48 0.080 -6.261 -12.908 1.00 0.00 C ATOM 695 C THR A 48 0.304 -4.772 -12.724 1.00 0.00 C ATOM 696 O THR A 48 1.375 -4.342 -12.289 1.00 0.00 O ATOM 697 CB THR A 48 -1.008 -6.742 -11.933 1.00 0.00 C ATOM 698 OG1 THR A 48 -0.483 -7.783 -11.096 1.00 0.00 O ATOM 699 CG2 THR A 48 -2.225 -7.256 -12.685 1.00 0.00 C ATOM 0 H THR A 48 1.349 -7.492 -11.800 1.00 0.00 H new ATOM 0 HA THR A 48 -0.248 -6.445 -13.931 1.00 0.00 H new ATOM 0 HB THR A 48 -1.315 -5.896 -11.318 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.208 -8.172 -10.564 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.979 -7.590 -11.972 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.637 -6.456 -13.301 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.933 -8.091 -13.322 1.00 0.00 H new ATOM 707 N SER A 49 -0.704 -3.988 -13.049 1.00 0.00 N ATOM 708 CA SER A 49 -0.612 -2.562 -12.898 1.00 0.00 C ATOM 709 C SER A 49 -1.862 -2.028 -12.211 1.00 0.00 C ATOM 710 O SER A 49 -2.979 -2.426 -12.546 1.00 0.00 O ATOM 711 CB SER A 49 -0.423 -1.898 -14.260 1.00 0.00 C ATOM 712 OG SER A 49 -0.743 -2.790 -15.316 1.00 0.00 O ATOM 0 H SER A 49 -1.594 -4.321 -13.419 1.00 0.00 H new ATOM 0 HA SER A 49 0.253 -2.327 -12.278 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.054 -1.012 -14.326 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.609 -1.563 -14.364 1.00 0.00 H new ATOM 0 HG SER A 49 -0.615 -2.338 -16.176 1.00 0.00 H new ATOM 718 N PRO A 50 -1.698 -1.138 -11.224 1.00 0.00 N ATOM 719 CA PRO A 50 -2.823 -0.604 -10.457 1.00 0.00 C ATOM 720 C PRO A 50 -3.747 0.259 -11.295 1.00 0.00 C ATOM 721 O PRO A 50 -4.947 0.338 -11.031 1.00 0.00 O ATOM 722 CB PRO A 50 -2.163 0.221 -9.344 1.00 0.00 C ATOM 723 CG PRO A 50 -0.724 -0.180 -9.350 1.00 0.00 C ATOM 724 CD PRO A 50 -0.412 -0.601 -10.758 1.00 0.00 C ATOM 0 HA PRO A 50 -3.459 -1.404 -10.078 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.273 1.289 -9.529 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.624 0.016 -8.378 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.088 0.649 -9.042 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.545 -0.997 -8.651 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.078 0.239 -11.368 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.377 -1.352 -10.791 1.00 0.00 H new ATOM 732 N ASP A 51 -3.199 0.874 -12.327 1.00 0.00 N ATOM 733 CA ASP A 51 -3.983 1.677 -13.228 1.00 0.00 C ATOM 734 C ASP A 51 -4.826 0.766 -14.096 1.00 0.00 C ATOM 735 O ASP A 51 -5.867 1.163 -14.619 1.00 0.00 O ATOM 736 CB ASP A 51 -3.065 2.539 -14.092 1.00 0.00 C ATOM 737 CG ASP A 51 -2.409 1.757 -15.213 1.00 0.00 C ATOM 738 OD1 ASP A 51 -1.548 0.906 -14.920 1.00 0.00 O ATOM 739 OD2 ASP A 51 -2.760 1.982 -16.387 1.00 0.00 O ATOM 0 H ASP A 51 -2.206 0.828 -12.557 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.637 2.337 -12.659 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.640 3.361 -14.517 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.292 2.982 -13.464 1.00 0.00 H new ATOM 744 N ALA A 52 -4.377 -0.473 -14.220 1.00 0.00 N ATOM 745 CA ALA A 52 -5.070 -1.448 -15.039 1.00 0.00 C ATOM 746 C ALA A 52 -6.284 -1.969 -14.299 1.00 0.00 C ATOM 747 O ALA A 52 -7.333 -2.208 -14.888 1.00 0.00 O ATOM 748 CB ALA A 52 -4.145 -2.586 -15.440 1.00 0.00 C ATOM 0 H ALA A 52 -3.536 -0.825 -13.763 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.401 -0.960 -15.956 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.693 -3.301 -16.053 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.305 -2.188 -16.009 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.773 -3.085 -14.545 1.00 0.00 H new ATOM 754 N LEU A 53 -6.126 -2.129 -12.995 1.00 0.00 N ATOM 755 CA LEU A 53 -7.213 -2.571 -12.139 1.00 0.00 C ATOM 756 C LEU A 53 -8.226 -1.448 -11.977 1.00 0.00 C ATOM 757 O LEU A 53 -9.435 -1.675 -12.017 1.00 0.00 O ATOM 758 CB LEU A 53 -6.664 -3.001 -10.781 1.00 0.00 C ATOM 759 CG LEU A 53 -5.439 -3.913 -10.845 1.00 0.00 C ATOM 760 CD1 LEU A 53 -4.563 -3.714 -9.621 1.00 0.00 C ATOM 761 CD2 LEU A 53 -5.861 -5.369 -10.973 1.00 0.00 C ATOM 0 H LEU A 53 -5.248 -1.958 -12.504 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.710 -3.427 -12.596 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.406 -2.109 -10.210 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.453 -3.514 -10.232 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.859 -3.648 -11.729 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.696 -4.371 -9.684 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.230 -2.677 -9.577 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.134 -3.951 -8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.975 -6.002 -11.017 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.465 -5.650 -10.110 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.446 -5.500 -11.883 1.00 0.00 H new ATOM 773 N THR A 54 -7.717 -0.234 -11.812 1.00 0.00 N ATOM 774 CA THR A 54 -8.562 0.947 -11.754 1.00 0.00 C ATOM 775 C THR A 54 -9.397 1.070 -13.029 1.00 0.00 C ATOM 776 O THR A 54 -10.617 1.250 -12.972 1.00 0.00 O ATOM 777 CB THR A 54 -7.713 2.219 -11.556 1.00 0.00 C ATOM 778 OG1 THR A 54 -6.931 2.102 -10.360 1.00 0.00 O ATOM 779 CG2 THR A 54 -8.586 3.458 -11.467 1.00 0.00 C ATOM 0 H THR A 54 -6.720 -0.043 -11.716 1.00 0.00 H new ATOM 0 HA THR A 54 -9.232 0.841 -10.901 1.00 0.00 H new ATOM 0 HB THR A 54 -7.057 2.321 -12.420 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.190 1.479 -10.513 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.957 4.337 -11.328 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.160 3.565 -12.387 1.00 0.00 H new ATOM 0 HG23 THR A 54 -9.268 3.362 -10.622 1.00 0.00 H new ATOM 787 N ALA A 55 -8.738 0.939 -14.177 1.00 0.00 N ATOM 788 CA ALA A 55 -9.427 0.993 -15.458 1.00 0.00 C ATOM 789 C ALA A 55 -10.370 -0.189 -15.613 1.00 0.00 C ATOM 790 O ALA A 55 -11.435 -0.066 -16.212 1.00 0.00 O ATOM 791 CB ALA A 55 -8.427 1.027 -16.603 1.00 0.00 C ATOM 0 H ALA A 55 -7.730 0.795 -14.244 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.017 1.909 -15.487 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.962 1.067 -17.552 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.793 1.908 -16.506 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.809 0.130 -16.573 1.00 0.00 H new ATOM 797 N ALA A 56 -9.975 -1.334 -15.073 1.00 0.00 N ATOM 798 CA ALA A 56 -10.820 -2.526 -15.109 1.00 0.00 C ATOM 799 C ALA A 56 -12.131 -2.287 -14.370 1.00 0.00 C ATOM 800 O ALA A 56 -13.208 -2.584 -14.889 1.00 0.00 O ATOM 801 CB ALA A 56 -10.093 -3.727 -14.519 1.00 0.00 C ATOM 0 H ALA A 56 -9.078 -1.465 -14.606 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.047 -2.740 -16.153 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.743 -4.601 -14.558 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.188 -3.923 -15.094 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.827 -3.518 -13.483 1.00 0.00 H new ATOM 807 N VAL A 57 -12.041 -1.735 -13.164 1.00 0.00 N ATOM 808 CA VAL A 57 -13.230 -1.441 -12.373 1.00 0.00 C ATOM 809 C VAL A 57 -14.044 -0.322 -13.018 1.00 0.00 C ATOM 810 O VAL A 57 -15.274 -0.397 -13.087 1.00 0.00 O ATOM 811 CB VAL A 57 -12.876 -1.053 -10.924 1.00 0.00 C ATOM 812 CG1 VAL A 57 -14.128 -0.728 -10.119 1.00 0.00 C ATOM 813 CG2 VAL A 57 -12.085 -2.164 -10.253 1.00 0.00 C ATOM 0 H VAL A 57 -11.161 -1.483 -12.715 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.826 -2.353 -12.344 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.257 -0.156 -10.959 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.846 -0.458 -9.101 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.653 0.107 -10.584 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -14.782 -1.600 -10.095 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.844 -1.873 -9.231 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.680 -3.077 -10.239 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -11.163 -2.340 -10.807 1.00 0.00 H new ATOM 823 N ALA A 58 -13.354 0.706 -13.507 1.00 0.00 N ATOM 824 CA ALA A 58 -14.015 1.819 -14.177 1.00 0.00 C ATOM 825 C ALA A 58 -14.686 1.366 -15.471 1.00 0.00 C ATOM 826 O ALA A 58 -15.713 1.908 -15.878 1.00 0.00 O ATOM 827 CB ALA A 58 -13.016 2.928 -14.460 1.00 0.00 C ATOM 0 H ALA A 58 -12.339 0.790 -13.451 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.791 2.201 -13.513 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.521 3.754 -14.961 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.588 3.280 -13.522 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.221 2.547 -15.101 1.00 0.00 H new ATOM 833 N GLY A 59 -14.106 0.361 -16.103 1.00 0.00 N ATOM 834 CA GLY A 59 -14.654 -0.163 -17.338 1.00 0.00 C ATOM 835 C GLY A 59 -15.649 -1.277 -17.092 1.00 0.00 C ATOM 836 O GLY A 59 -16.111 -1.929 -18.028 1.00 0.00 O ATOM 0 H GLY A 59 -13.258 -0.106 -15.781 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.141 0.642 -17.889 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.843 -0.534 -17.965 1.00 0.00 H new ATOM 840 N LEU A 60 -15.980 -1.502 -15.829 1.00 0.00 N ATOM 841 CA LEU A 60 -16.960 -2.514 -15.465 1.00 0.00 C ATOM 842 C LEU A 60 -18.302 -1.873 -15.148 1.00 0.00 C ATOM 843 O LEU A 60 -19.212 -2.523 -14.633 1.00 0.00 O ATOM 844 CB LEU A 60 -16.465 -3.323 -14.270 1.00 0.00 C ATOM 845 CG LEU A 60 -16.036 -4.751 -14.589 1.00 0.00 C ATOM 846 CD1 LEU A 60 -15.076 -5.268 -13.531 1.00 0.00 C ATOM 847 CD2 LEU A 60 -17.251 -5.658 -14.701 1.00 0.00 C ATOM 0 H LEU A 60 -15.583 -0.996 -15.037 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.092 -3.185 -16.313 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -15.622 -2.799 -13.820 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.256 -3.356 -13.521 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.519 -4.751 -15.548 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.781 -6.288 -13.775 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.192 -4.632 -13.500 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.566 -5.255 -12.558 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.927 -6.674 -14.929 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.796 -5.654 -13.757 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.902 -5.297 -15.497 1.00 0.00 H new ATOM 859 N GLY A 61 -18.410 -0.594 -15.459 1.00 0.00 N ATOM 860 CA GLY A 61 -19.631 0.139 -15.190 1.00 0.00 C ATOM 861 C GLY A 61 -19.561 0.888 -13.878 1.00 0.00 C ATOM 862 O GLY A 61 -20.459 1.660 -13.539 1.00 0.00 O ATOM 0 H GLY A 61 -17.670 -0.044 -15.896 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -19.818 0.843 -16.001 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -20.473 -0.553 -15.169 1.00 0.00 H new ATOM 866 N TYR A 62 -18.492 0.653 -13.135 1.00 0.00 N ATOM 867 CA TYR A 62 -18.278 1.323 -11.868 1.00 0.00 C ATOM 868 C TYR A 62 -17.206 2.391 -12.029 1.00 0.00 C ATOM 869 O TYR A 62 -16.851 2.761 -13.147 1.00 0.00 O ATOM 870 CB TYR A 62 -17.854 0.312 -10.794 1.00 0.00 C ATOM 871 CG TYR A 62 -18.565 -1.024 -10.874 1.00 0.00 C ATOM 872 CD1 TYR A 62 -19.952 -1.101 -10.845 1.00 0.00 C ATOM 873 CD2 TYR A 62 -17.845 -2.209 -10.968 1.00 0.00 C ATOM 874 CE1 TYR A 62 -20.601 -2.320 -10.910 1.00 0.00 C ATOM 875 CE2 TYR A 62 -18.486 -3.430 -11.031 1.00 0.00 C ATOM 876 CZ TYR A 62 -19.863 -3.481 -11.003 1.00 0.00 C ATOM 877 OH TYR A 62 -20.503 -4.700 -11.063 1.00 0.00 O ATOM 0 H TYR A 62 -17.755 -0.003 -13.393 1.00 0.00 H new ATOM 0 HA TYR A 62 -19.210 1.792 -11.554 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -16.780 0.143 -10.875 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -18.035 0.747 -9.811 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -20.533 -0.194 -10.770 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.766 -2.174 -10.992 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -21.680 -2.363 -10.888 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.911 -4.341 -11.102 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.955 -5.380 -10.618 1.00 0.00 H new ATOM 887 N LYS A 63 -16.689 2.890 -10.919 1.00 0.00 N ATOM 888 CA LYS A 63 -15.596 3.838 -10.961 1.00 0.00 C ATOM 889 C LYS A 63 -14.556 3.468 -9.922 1.00 0.00 C ATOM 890 O LYS A 63 -14.886 3.172 -8.776 1.00 0.00 O ATOM 891 CB LYS A 63 -16.096 5.266 -10.723 1.00 0.00 C ATOM 892 CG LYS A 63 -15.262 6.331 -11.422 1.00 0.00 C ATOM 893 CD LYS A 63 -14.190 6.896 -10.504 1.00 0.00 C ATOM 894 CE LYS A 63 -13.256 7.841 -11.245 1.00 0.00 C ATOM 895 NZ LYS A 63 -12.224 7.110 -12.029 1.00 0.00 N ATOM 0 H LYS A 63 -17.010 2.653 -9.980 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.145 3.800 -11.953 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -17.128 5.342 -11.066 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.101 5.466 -9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.794 5.903 -12.308 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.912 7.137 -11.762 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.662 7.425 -9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.613 6.078 -10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.838 8.474 -11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.766 8.501 -10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.459 7.764 -12.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.835 6.336 -11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.655 6.718 -12.890 1.00 0.00 H new ATOM 909 N ALA A 64 -13.307 3.446 -10.331 1.00 0.00 N ATOM 910 CA ALA A 64 -12.228 3.209 -9.399 1.00 0.00 C ATOM 911 C ALA A 64 -11.277 4.389 -9.381 1.00 0.00 C ATOM 912 O ALA A 64 -11.188 5.147 -10.349 1.00 0.00 O ATOM 913 CB ALA A 64 -11.488 1.931 -9.750 1.00 0.00 C ATOM 0 H ALA A 64 -13.014 3.589 -11.298 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.653 3.093 -8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.680 1.771 -9.036 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.178 1.088 -9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.074 2.015 -10.755 1.00 0.00 H new ATOM 919 N THR A 65 -10.606 4.565 -8.264 1.00 0.00 N ATOM 920 CA THR A 65 -9.537 5.536 -8.149 1.00 0.00 C ATOM 921 C THR A 65 -8.373 4.884 -7.418 1.00 0.00 C ATOM 922 O THR A 65 -8.376 3.669 -7.223 1.00 0.00 O ATOM 923 CB THR A 65 -9.989 6.806 -7.398 1.00 0.00 C ATOM 924 OG1 THR A 65 -11.392 6.738 -7.099 1.00 0.00 O ATOM 925 CG2 THR A 65 -9.704 8.050 -8.227 1.00 0.00 C ATOM 0 H THR A 65 -10.785 4.039 -7.409 1.00 0.00 H new ATOM 0 HA THR A 65 -9.238 5.847 -9.150 1.00 0.00 H new ATOM 0 HB THR A 65 -9.427 6.866 -6.466 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.664 7.549 -6.621 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.030 8.934 -7.680 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.634 8.119 -8.424 1.00 0.00 H new ATOM 0 HG23 THR A 65 -10.243 7.989 -9.172 1.00 0.00 H new ATOM 933 N LEU A 66 -7.410 5.668 -6.972 1.00 0.00 N ATOM 934 CA LEU A 66 -6.264 5.111 -6.283 1.00 0.00 C ATOM 935 C LEU A 66 -5.694 6.128 -5.309 1.00 0.00 C ATOM 936 O LEU A 66 -5.384 7.263 -5.676 1.00 0.00 O ATOM 937 CB LEU A 66 -5.204 4.650 -7.298 1.00 0.00 C ATOM 938 CG LEU A 66 -3.796 5.225 -7.115 1.00 0.00 C ATOM 939 CD1 LEU A 66 -2.893 4.220 -6.415 1.00 0.00 C ATOM 940 CD2 LEU A 66 -3.207 5.622 -8.461 1.00 0.00 C ATOM 0 H LEU A 66 -7.398 6.683 -7.073 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.580 4.238 -5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.138 3.563 -7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.552 4.909 -8.298 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.866 6.115 -6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.898 4.647 -6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.306 3.980 -5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.828 3.311 -7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.206 6.029 -8.315 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.151 4.746 -9.107 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.841 6.376 -8.927 1.00 0.00 H new ATOM 952 N ALA A 67 -5.607 5.708 -4.058 1.00 0.00 N ATOM 953 CA ALA A 67 -5.079 6.531 -2.984 1.00 0.00 C ATOM 954 C ALA A 67 -4.666 5.632 -1.834 1.00 0.00 C ATOM 955 O ALA A 67 -5.491 4.891 -1.295 1.00 0.00 O ATOM 956 CB ALA A 67 -6.113 7.547 -2.521 1.00 0.00 C ATOM 0 H ALA A 67 -5.903 4.779 -3.757 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.212 7.084 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.694 8.151 -1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.387 8.193 -3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.999 7.025 -2.159 1.00 0.00 H new ATOM 962 N ASP A 68 -3.394 5.677 -1.471 1.00 0.00 N ATOM 963 CA ASP A 68 -2.860 4.766 -0.479 1.00 0.00 C ATOM 964 C ASP A 68 -3.206 5.200 0.939 1.00 0.00 C ATOM 965 O ASP A 68 -2.483 5.981 1.557 1.00 0.00 O ATOM 966 CB ASP A 68 -1.347 4.627 -0.619 1.00 0.00 C ATOM 967 CG ASP A 68 -0.804 3.509 0.245 1.00 0.00 C ATOM 968 OD1 ASP A 68 -1.002 2.329 -0.109 1.00 0.00 O ATOM 969 OD2 ASP A 68 -0.180 3.802 1.283 1.00 0.00 O ATOM 0 H ASP A 68 -2.714 6.336 -1.850 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.326 3.798 -0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.094 4.436 -1.662 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.868 5.566 -0.342 1.00 0.00 H new ATOM 974 N ALA A 69 -4.324 4.704 1.438 1.00 0.00 N ATOM 975 CA ALA A 69 -4.713 4.921 2.818 1.00 0.00 C ATOM 976 C ALA A 69 -5.139 3.598 3.439 1.00 0.00 C ATOM 977 O ALA A 69 -4.372 3.048 4.256 1.00 0.00 O ATOM 978 CB ALA A 69 -5.837 5.943 2.903 1.00 0.00 C ATOM 979 OXT ALA A 69 -6.221 3.096 3.072 1.00 0.00 O ATOM 0 H ALA A 69 -4.984 4.142 0.900 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.861 5.315 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.115 6.092 3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.502 6.889 2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.701 5.581 2.346 1.00 0.00 H new TER 985 ALA A 69