USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 472 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 40 SER OG : rot -138:sc= 0.0396 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc=-0.00375 USER MOD Single : A 48 THR OG1 : rot -101:sc= 0.805 USER MOD Single : A 50 MET CE :methyl -159:sc= -1.78! (180deg=-2.65!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.094) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 39 7.120 1.212 -13.293 1.00 1.00 N ATOM 2 CA GLY A 39 6.377 0.036 -12.877 1.00 1.00 C ATOM 3 C GLY A 39 5.188 0.381 -12.003 1.00 1.00 C ATOM 4 O GLY A 39 5.334 1.055 -10.983 1.00 1.00 O ATOM 0 HA2 GLY A 39 6.031 -0.503 -13.759 1.00 1.00 H new ATOM 0 HA3 GLY A 39 7.041 -0.636 -12.333 1.00 1.00 H new ATOM 8 N SER A 40 4.008 -0.082 -12.402 1.00 1.00 N ATOM 9 CA SER A 40 2.788 0.185 -11.650 1.00 1.00 C ATOM 10 C SER A 40 2.185 -1.110 -11.114 1.00 1.00 C ATOM 11 O SER A 40 2.281 -2.161 -11.749 1.00 1.00 O ATOM 12 CB SER A 40 1.768 0.909 -12.531 1.00 1.00 C ATOM 13 OG SER A 40 0.477 0.879 -11.948 1.00 1.00 O ATOM 0 H SER A 40 3.871 -0.644 -13.242 1.00 1.00 H new ATOM 0 HA SER A 40 3.045 0.823 -10.804 1.00 1.00 H new ATOM 0 HB2 SER A 40 2.080 1.943 -12.679 1.00 1.00 H new ATOM 0 HB3 SER A 40 1.737 0.442 -13.515 1.00 1.00 H new ATOM 0 HG SER A 40 -0.191 0.692 -12.641 1.00 1.00 H new ATOM 19 N CYS A 41 1.565 -1.026 -9.943 1.00 1.00 N ATOM 20 CA CYS A 41 0.946 -2.191 -9.320 1.00 1.00 C ATOM 21 C CYS A 41 -0.426 -2.467 -9.927 1.00 1.00 C ATOM 22 O CYS A 41 -0.881 -3.610 -9.966 1.00 1.00 O ATOM 23 CB CYS A 41 0.817 -1.980 -7.811 1.00 1.00 C ATOM 24 SG CYS A 41 2.395 -1.740 -6.962 1.00 1.00 S ATOM 0 H CYS A 41 1.477 -0.164 -9.405 1.00 1.00 H new ATOM 0 HA CYS A 41 1.585 -3.054 -9.505 1.00 1.00 H new ATOM 0 HB2 CYS A 41 0.183 -1.112 -7.629 1.00 1.00 H new ATOM 0 HB3 CYS A 41 0.310 -2.842 -7.376 1.00 1.00 H new ATOM 0 HG CYS A 41 2.182 -1.568 -5.691 1.00 1.00 H new ATOM 30 N LYS A 42 -1.082 -1.411 -10.397 1.00 1.00 N ATOM 31 CA LYS A 42 -2.404 -1.538 -11.000 1.00 1.00 C ATOM 32 C LYS A 42 -2.475 -0.774 -12.318 1.00 1.00 C ATOM 33 O LYS A 42 -2.451 0.457 -12.335 1.00 1.00 O ATOM 34 CB LYS A 42 -3.477 -1.020 -10.040 1.00 1.00 C ATOM 35 CG LYS A 42 -3.893 -2.034 -8.989 1.00 1.00 C ATOM 36 CD LYS A 42 -3.076 -1.888 -7.717 1.00 1.00 C ATOM 37 CE LYS A 42 -3.705 -0.885 -6.762 1.00 1.00 C ATOM 38 NZ LYS A 42 -2.865 -0.669 -5.551 1.00 1.00 N ATOM 0 H LYS A 42 -0.720 -0.458 -10.372 1.00 1.00 H new ATOM 0 HA LYS A 42 -2.585 -2.594 -11.201 1.00 1.00 H new ATOM 0 HB2 LYS A 42 -3.105 -0.125 -9.542 1.00 1.00 H new ATOM 0 HB3 LYS A 42 -4.355 -0.724 -10.615 1.00 1.00 H new ATOM 0 HG2 LYS A 42 -4.951 -1.907 -8.759 1.00 1.00 H new ATOM 0 HG3 LYS A 42 -3.772 -3.042 -9.387 1.00 1.00 H new ATOM 0 HD2 LYS A 42 -2.991 -2.857 -7.225 1.00 1.00 H new ATOM 0 HD3 LYS A 42 -2.065 -1.568 -7.968 1.00 1.00 H new ATOM 0 HE2 LYS A 42 -3.851 0.065 -7.277 1.00 1.00 H new ATOM 0 HE3 LYS A 42 -4.691 -1.239 -6.461 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 -3.328 0.021 -4.926 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 -2.747 -1.570 -5.045 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 -1.933 -0.307 -5.835 1.00 1.00 H new ATOM 52 N ILE A 43 -2.564 -1.512 -13.420 1.00 1.00 N ATOM 53 CA ILE A 43 -2.642 -0.903 -14.742 1.00 1.00 C ATOM 54 C ILE A 43 -3.761 0.131 -14.806 1.00 1.00 C ATOM 55 O ILE A 43 -4.882 -0.102 -14.353 1.00 1.00 O ATOM 56 CB ILE A 43 -2.874 -1.962 -15.836 1.00 1.00 C ATOM 57 CG1 ILE A 43 -1.770 -3.020 -15.794 1.00 1.00 C ATOM 58 CG2 ILE A 43 -2.931 -1.303 -17.207 1.00 1.00 C ATOM 59 CD1 ILE A 43 -0.377 -2.447 -15.934 1.00 1.00 C ATOM 0 H ILE A 43 -2.584 -2.532 -13.423 1.00 1.00 H new ATOM 0 HA ILE A 43 -1.686 -0.411 -14.920 1.00 1.00 H new ATOM 0 HB ILE A 43 -3.829 -2.453 -15.650 1.00 1.00 H new ATOM 0 HG12 ILE A 43 -1.837 -3.565 -14.853 1.00 1.00 H new ATOM 0 HG13 ILE A 43 -1.939 -3.742 -16.593 1.00 1.00 H new ATOM 0 HG21 ILE A 43 -3.095 -2.064 -17.970 1.00 1.00 H new ATOM 0 HG22 ILE A 43 -3.749 -0.583 -17.231 1.00 1.00 H new ATOM 0 HG23 ILE A 43 -1.990 -0.790 -17.403 1.00 1.00 H new ATOM 0 HD11 ILE A 43 0.354 -3.254 -15.895 1.00 1.00 H new ATOM 0 HD12 ILE A 43 -0.292 -1.926 -16.888 1.00 1.00 H new ATOM 0 HD13 ILE A 43 -0.188 -1.747 -15.120 1.00 1.00 H new ATOM 71 N PRO A 44 -3.453 1.302 -15.384 1.00 1.00 N ATOM 72 CA PRO A 44 -4.419 2.395 -15.522 1.00 1.00 C ATOM 73 C PRO A 44 -5.516 2.075 -16.531 1.00 1.00 C ATOM 74 O PRO A 44 -5.643 0.938 -16.985 1.00 1.00 O ATOM 75 CB PRO A 44 -3.563 3.564 -16.016 1.00 1.00 C ATOM 76 CG PRO A 44 -2.403 2.924 -16.696 1.00 1.00 C ATOM 77 CD PRO A 44 -2.137 1.647 -15.947 1.00 1.00 C ATOM 0 HA PRO A 44 -4.943 2.597 -14.588 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -4.121 4.201 -16.702 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -3.238 4.194 -15.188 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -2.627 2.723 -17.744 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -1.530 3.577 -16.677 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -1.765 0.864 -16.607 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -1.390 1.787 -15.166 1.00 1.00 H new ATOM 85 N SER A 45 -6.308 3.085 -16.877 1.00 1.00 N ATOM 86 CA SER A 45 -7.397 2.909 -17.831 1.00 1.00 C ATOM 87 C SER A 45 -7.103 3.648 -19.134 1.00 1.00 C ATOM 88 O SER A 45 -7.461 3.184 -20.217 1.00 1.00 O ATOM 89 CB SER A 45 -8.713 3.412 -17.233 1.00 1.00 C ATOM 90 OG SER A 45 -8.814 4.822 -17.334 1.00 1.00 O ATOM 0 H SER A 45 -6.216 4.033 -16.511 1.00 1.00 H new ATOM 0 HA SER A 45 -7.488 1.845 -18.049 1.00 1.00 H new ATOM 0 HB2 SER A 45 -9.552 2.946 -17.750 1.00 1.00 H new ATOM 0 HB3 SER A 45 -8.778 3.114 -16.187 1.00 1.00 H new ATOM 0 HG SER A 45 -9.664 5.118 -16.946 1.00 1.00 H new ATOM 96 N ILE A 46 -6.449 4.799 -19.019 1.00 1.00 N ATOM 97 CA ILE A 46 -6.105 5.601 -20.186 1.00 1.00 C ATOM 98 C ILE A 46 -5.055 4.902 -21.043 1.00 1.00 C ATOM 99 O ILE A 46 -4.819 5.285 -22.189 1.00 1.00 O ATOM 100 CB ILE A 46 -5.579 6.990 -19.780 1.00 1.00 C ATOM 101 CG1 ILE A 46 -6.626 7.734 -18.949 1.00 1.00 C ATOM 102 CG2 ILE A 46 -5.203 7.796 -21.014 1.00 1.00 C ATOM 103 CD1 ILE A 46 -6.085 8.963 -18.254 1.00 1.00 C ATOM 0 H ILE A 46 -6.147 5.197 -18.130 1.00 1.00 H new ATOM 0 HA ILE A 46 -7.020 5.724 -20.765 1.00 1.00 H new ATOM 0 HB ILE A 46 -4.685 6.859 -19.170 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -7.451 8.027 -19.598 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -7.034 7.054 -18.201 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -4.833 8.775 -20.710 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -4.426 7.271 -21.569 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -6.080 7.921 -21.649 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -6.883 9.439 -17.684 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -5.279 8.674 -17.579 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -5.703 9.663 -18.997 1.00 1.00 H new ATOM 115 N ALA A 47 -4.429 3.874 -20.481 1.00 1.00 N ATOM 116 CA ALA A 47 -3.406 3.119 -21.194 1.00 1.00 C ATOM 117 C ALA A 47 -3.980 1.833 -21.778 1.00 1.00 C ATOM 118 O ALA A 47 -3.354 1.186 -22.619 1.00 1.00 O ATOM 119 CB ALA A 47 -2.239 2.807 -20.269 1.00 1.00 C ATOM 0 H ALA A 47 -4.612 3.544 -19.533 1.00 1.00 H new ATOM 0 HA ALA A 47 -3.046 3.733 -22.020 1.00 1.00 H new ATOM 0 HB1 ALA A 47 -1.483 2.243 -20.815 1.00 1.00 H new ATOM 0 HB2 ALA A 47 -1.805 3.738 -19.905 1.00 1.00 H new ATOM 0 HB3 ALA A 47 -2.592 2.216 -19.424 1.00 1.00 H new ATOM 125 N THR A 48 -5.176 1.465 -21.327 1.00 1.00 N ATOM 126 CA THR A 48 -5.834 0.256 -21.804 1.00 1.00 C ATOM 127 C THR A 48 -6.141 0.348 -23.294 1.00 1.00 C ATOM 128 O THR A 48 -5.730 -0.508 -24.077 1.00 1.00 O ATOM 129 CB THR A 48 -7.143 -0.011 -21.037 1.00 1.00 C ATOM 130 OG1 THR A 48 -8.078 1.046 -21.281 1.00 1.00 O ATOM 131 CG2 THR A 48 -6.881 -0.129 -19.543 1.00 1.00 C ATOM 0 H THR A 48 -5.708 1.988 -20.632 1.00 1.00 H new ATOM 0 HA THR A 48 -5.144 -0.569 -21.629 1.00 1.00 H new ATOM 0 HB THR A 48 -7.560 -0.953 -21.392 1.00 1.00 H new ATOM 0 HG1 THR A 48 -8.079 1.664 -20.520 1.00 1.00 H new ATOM 0 HG21 THR A 48 -7.820 -0.317 -19.023 1.00 1.00 H new ATOM 0 HG22 THR A 48 -6.192 -0.953 -19.358 1.00 1.00 H new ATOM 0 HG23 THR A 48 -6.443 0.799 -19.176 1.00 1.00 H new ATOM 139 N GLY A 49 -6.867 1.393 -23.681 1.00 1.00 N ATOM 140 CA GLY A 49 -7.216 1.577 -25.077 1.00 1.00 C ATOM 141 C GLY A 49 -6.024 1.419 -25.999 1.00 1.00 C ATOM 142 O GLY A 49 -6.119 0.773 -27.043 1.00 1.00 O ATOM 0 H GLY A 49 -7.219 2.115 -23.052 1.00 1.00 H new ATOM 0 HA2 GLY A 49 -7.984 0.855 -25.354 1.00 1.00 H new ATOM 0 HA3 GLY A 49 -7.647 2.569 -25.213 1.00 1.00 H new ATOM 146 N MET A 50 -4.898 2.011 -25.615 1.00 1.00 N ATOM 147 CA MET A 50 -3.682 1.932 -26.416 1.00 1.00 C ATOM 148 C MET A 50 -3.217 0.485 -26.557 1.00 1.00 C ATOM 149 O MET A 50 -2.910 0.026 -27.657 1.00 1.00 O ATOM 150 CB MET A 50 -2.573 2.776 -25.784 1.00 1.00 C ATOM 151 CG MET A 50 -2.999 4.202 -25.472 1.00 1.00 C ATOM 152 SD MET A 50 -3.723 5.038 -26.895 1.00 1.00 S ATOM 153 CE MET A 50 -2.625 4.495 -28.202 1.00 1.00 C ATOM 0 H MET A 50 -4.802 2.550 -24.755 1.00 1.00 H new ATOM 0 HA MET A 50 -3.905 2.323 -27.409 1.00 1.00 H new ATOM 0 HB2 MET A 50 -2.241 2.295 -24.864 1.00 1.00 H new ATOM 0 HB3 MET A 50 -1.717 2.800 -26.458 1.00 1.00 H new ATOM 0 HG2 MET A 50 -3.721 4.191 -24.656 1.00 1.00 H new ATOM 0 HG3 MET A 50 -2.134 4.767 -25.125 1.00 1.00 H new ATOM 0 HE1 MET A 50 -2.691 5.185 -29.043 1.00 1.00 H new ATOM 0 HE2 MET A 50 -1.600 4.472 -27.831 1.00 1.00 H new ATOM 0 HE3 MET A 50 -2.914 3.496 -28.529 1.00 1.00 H new ATOM 163 N VAL A 51 -3.168 -0.228 -25.436 1.00 1.00 N ATOM 164 CA VAL A 51 -2.739 -1.621 -25.436 1.00 1.00 C ATOM 165 C VAL A 51 -3.551 -2.446 -26.428 1.00 1.00 C ATOM 166 O VAL A 51 -2.998 -3.057 -27.342 1.00 1.00 O ATOM 167 CB VAL A 51 -2.872 -2.248 -24.035 1.00 1.00 C ATOM 168 CG1 VAL A 51 -2.315 -3.664 -24.029 1.00 1.00 C ATOM 169 CG2 VAL A 51 -2.169 -1.386 -22.997 1.00 1.00 C ATOM 0 H VAL A 51 -3.420 0.136 -24.517 1.00 1.00 H new ATOM 0 HA VAL A 51 -1.690 -1.630 -25.733 1.00 1.00 H new ATOM 0 HB VAL A 51 -3.930 -2.298 -23.777 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -2.417 -4.091 -23.031 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -2.867 -4.275 -24.744 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -1.261 -3.642 -24.308 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -2.273 -1.844 -22.013 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -1.112 -1.303 -23.249 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -2.618 -0.393 -22.984 1.00 1.00 H new ATOM 179 N GLY A 52 -4.867 -2.460 -26.242 1.00 1.00 N ATOM 180 CA GLY A 52 -5.734 -3.212 -27.129 1.00 1.00 C ATOM 181 C GLY A 52 -5.470 -2.911 -28.591 1.00 1.00 C ATOM 182 O GLY A 52 -5.421 -3.819 -29.420 1.00 1.00 O ATOM 0 H GLY A 52 -5.348 -1.963 -25.492 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -5.595 -4.278 -26.950 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -6.774 -2.983 -26.896 1.00 1.00 H new ATOM 186 N ALA A 53 -5.301 -1.631 -28.909 1.00 1.00 N ATOM 187 CA ALA A 53 -5.041 -1.213 -30.280 1.00 1.00 C ATOM 188 C ALA A 53 -3.647 -1.637 -30.729 1.00 1.00 C ATOM 189 O ALA A 53 -3.437 -1.986 -31.892 1.00 1.00 O ATOM 190 CB ALA A 53 -5.204 0.294 -30.412 1.00 1.00 C ATOM 0 H ALA A 53 -5.340 -0.866 -28.235 1.00 1.00 H new ATOM 0 HA ALA A 53 -5.767 -1.705 -30.927 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -5.007 0.593 -31.442 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -6.222 0.575 -30.141 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -4.500 0.796 -29.748 1.00 1.00 H new ATOM 196 N LEU A 54 -2.697 -1.605 -29.801 1.00 1.00 N ATOM 197 CA LEU A 54 -1.321 -1.986 -30.102 1.00 1.00 C ATOM 198 C LEU A 54 -1.252 -3.424 -30.606 1.00 1.00 C ATOM 199 O LEU A 54 -0.631 -3.704 -31.632 1.00 1.00 O ATOM 200 CB LEU A 54 -0.444 -1.826 -28.859 1.00 1.00 C ATOM 201 CG LEU A 54 0.220 -0.461 -28.677 1.00 1.00 C ATOM 202 CD1 LEU A 54 0.766 -0.317 -27.265 1.00 1.00 C ATOM 203 CD2 LEU A 54 1.328 -0.266 -29.701 1.00 1.00 C ATOM 0 H LEU A 54 -2.854 -1.319 -28.834 1.00 1.00 H new ATOM 0 HA LEU A 54 -0.951 -1.327 -30.888 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -1.054 -2.031 -27.979 1.00 1.00 H new ATOM 0 HB3 LEU A 54 0.337 -2.586 -28.889 1.00 1.00 H new ATOM 0 HG LEU A 54 -0.533 0.311 -28.834 1.00 1.00 H new ATOM 0 HD11 LEU A 54 1.235 0.661 -27.154 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -0.050 -0.412 -26.548 1.00 1.00 H new ATOM 0 HD13 LEU A 54 1.505 -1.097 -27.079 1.00 1.00 H new ATOM 0 HD21 LEU A 54 1.789 0.711 -29.556 1.00 1.00 H new ATOM 0 HD22 LEU A 54 2.080 -1.045 -29.576 1.00 1.00 H new ATOM 0 HD23 LEU A 54 0.909 -0.324 -30.706 1.00 1.00 H new ATOM 215 N LEU A 55 -1.894 -4.331 -29.879 1.00 1.00 N ATOM 216 CA LEU A 55 -1.908 -5.741 -30.253 1.00 1.00 C ATOM 217 C LEU A 55 -2.713 -5.958 -31.531 1.00 1.00 C ATOM 218 O LEU A 55 -2.257 -6.628 -32.458 1.00 1.00 O ATOM 219 CB LEU A 55 -2.494 -6.585 -29.119 1.00 1.00 C ATOM 220 CG LEU A 55 -2.112 -6.160 -27.701 1.00 1.00 C ATOM 221 CD1 LEU A 55 -2.488 -7.242 -26.700 1.00 1.00 C ATOM 222 CD2 LEU A 55 -0.625 -5.849 -27.619 1.00 1.00 C ATOM 0 H LEU A 55 -2.412 -4.116 -29.027 1.00 1.00 H new ATOM 0 HA LEU A 55 -0.880 -6.052 -30.436 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -3.581 -6.566 -29.202 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -2.182 -7.619 -29.264 1.00 1.00 H new ATOM 0 HG LEU A 55 -2.666 -5.255 -27.452 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -2.209 -6.922 -25.696 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -3.563 -7.416 -26.739 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -1.962 -8.164 -26.946 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -0.372 -5.548 -26.602 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -0.052 -6.736 -27.888 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -0.384 -5.039 -28.308 1.00 1.00 H new ATOM 234 N LEU A 56 -3.910 -5.384 -31.574 1.00 1.00 N ATOM 235 CA LEU A 56 -4.779 -5.513 -32.739 1.00 1.00 C ATOM 236 C LEU A 56 -4.031 -5.153 -34.019 1.00 1.00 C ATOM 237 O LEU A 56 -3.913 -5.970 -34.933 1.00 1.00 O ATOM 238 CB LEU A 56 -6.009 -4.617 -32.584 1.00 1.00 C ATOM 239 CG LEU A 56 -7.291 -5.116 -33.253 1.00 1.00 C ATOM 240 CD1 LEU A 56 -8.048 -6.052 -32.323 1.00 1.00 C ATOM 241 CD2 LEU A 56 -8.169 -3.943 -33.663 1.00 1.00 C ATOM 0 H LEU A 56 -4.301 -4.825 -30.816 1.00 1.00 H new ATOM 0 HA LEU A 56 -5.101 -6.552 -32.808 1.00 1.00 H new ATOM 0 HB2 LEU A 56 -6.206 -4.485 -31.520 1.00 1.00 H new ATOM 0 HB3 LEU A 56 -5.771 -3.633 -32.989 1.00 1.00 H new ATOM 0 HG LEU A 56 -7.018 -5.671 -34.151 1.00 1.00 H new ATOM 0 HD11 LEU A 56 -8.957 -6.397 -32.815 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -7.420 -6.909 -32.079 1.00 1.00 H new ATOM 0 HD13 LEU A 56 -8.310 -5.522 -31.407 1.00 1.00 H new ATOM 0 HD21 LEU A 56 -9.077 -4.316 -34.137 1.00 1.00 H new ATOM 0 HD22 LEU A 56 -8.434 -3.361 -32.780 1.00 1.00 H new ATOM 0 HD23 LEU A 56 -7.626 -3.310 -34.365 1.00 1.00 H new ATOM 253 N LEU A 57 -3.524 -3.926 -34.076 1.00 1.00 N ATOM 254 CA LEU A 57 -2.785 -3.457 -35.243 1.00 1.00 C ATOM 255 C LEU A 57 -1.622 -4.391 -35.561 1.00 1.00 C ATOM 256 O LEU A 57 -1.389 -4.738 -36.720 1.00 1.00 O ATOM 257 CB LEU A 57 -2.264 -2.039 -35.005 1.00 1.00 C ATOM 258 CG LEU A 57 -3.327 -0.949 -34.861 1.00 1.00 C ATOM 259 CD1 LEU A 57 -2.675 0.415 -34.702 1.00 1.00 C ATOM 260 CD2 LEU A 57 -4.265 -0.957 -36.060 1.00 1.00 C ATOM 0 H LEU A 57 -3.611 -3.238 -33.328 1.00 1.00 H new ATOM 0 HA LEU A 57 -3.465 -3.449 -36.095 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -1.653 -2.045 -34.102 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -1.607 -1.771 -35.833 1.00 1.00 H new ATOM 0 HG LEU A 57 -3.912 -1.156 -33.965 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -3.447 1.178 -34.601 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -2.045 0.416 -33.812 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -2.064 0.631 -35.579 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -5.015 -0.175 -35.941 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -3.693 -0.776 -36.970 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -4.759 -1.926 -36.129 1.00 1.00 H new ATOM 272 N LEU A 58 -0.895 -4.797 -34.526 1.00 1.00 N ATOM 273 CA LEU A 58 0.243 -5.694 -34.695 1.00 1.00 C ATOM 274 C LEU A 58 -0.168 -6.962 -35.436 1.00 1.00 C ATOM 275 O LEU A 58 0.467 -7.355 -36.415 1.00 1.00 O ATOM 276 CB LEU A 58 0.838 -6.056 -33.333 1.00 1.00 C ATOM 277 CG LEU A 58 1.943 -5.133 -32.816 1.00 1.00 C ATOM 278 CD1 LEU A 58 2.294 -5.475 -31.376 1.00 1.00 C ATOM 279 CD2 LEU A 58 3.175 -5.227 -33.704 1.00 1.00 C ATOM 0 H LEU A 58 -1.073 -4.519 -33.561 1.00 1.00 H new ATOM 0 HA LEU A 58 0.997 -5.177 -35.289 1.00 1.00 H new ATOM 0 HB2 LEU A 58 0.032 -6.071 -32.599 1.00 1.00 H new ATOM 0 HB3 LEU A 58 1.236 -7.069 -33.390 1.00 1.00 H new ATOM 0 HG LEU A 58 1.576 -4.107 -32.845 1.00 1.00 H new ATOM 0 HD11 LEU A 58 3.082 -4.808 -31.025 1.00 1.00 H new ATOM 0 HD12 LEU A 58 1.411 -5.355 -30.748 1.00 1.00 H new ATOM 0 HD13 LEU A 58 2.641 -6.507 -31.321 1.00 1.00 H new ATOM 0 HD21 LEU A 58 3.951 -4.564 -33.321 1.00 1.00 H new ATOM 0 HD22 LEU A 58 3.544 -6.253 -33.707 1.00 1.00 H new ATOM 0 HD23 LEU A 58 2.914 -4.932 -34.720 1.00 1.00 H new ATOM 291 N VAL A 59 -1.236 -7.598 -34.964 1.00 1.00 N ATOM 292 CA VAL A 59 -1.734 -8.820 -35.584 1.00 1.00 C ATOM 293 C VAL A 59 -2.267 -8.547 -36.986 1.00 1.00 C ATOM 294 O VAL A 59 -1.941 -9.261 -37.935 1.00 1.00 O ATOM 295 CB VAL A 59 -2.849 -9.463 -34.739 1.00 1.00 C ATOM 296 CG1 VAL A 59 -3.209 -10.837 -35.285 1.00 1.00 C ATOM 297 CG2 VAL A 59 -2.427 -9.555 -33.280 1.00 1.00 C ATOM 0 H VAL A 59 -1.773 -7.287 -34.154 1.00 1.00 H new ATOM 0 HA VAL A 59 -0.892 -9.509 -35.647 1.00 1.00 H new ATOM 0 HB VAL A 59 -3.735 -8.831 -34.798 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -3.999 -11.276 -34.675 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -3.557 -10.740 -36.314 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -2.330 -11.481 -35.258 1.00 1.00 H new ATOM 0 HG21 VAL A 59 -3.227 -10.012 -32.698 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -1.527 -10.164 -33.199 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -2.224 -8.555 -32.896 1.00 1.00 H new ATOM 307 N VAL A 60 -3.088 -7.510 -37.110 1.00 1.00 N ATOM 308 CA VAL A 60 -3.665 -7.141 -38.397 1.00 1.00 C ATOM 309 C VAL A 60 -2.580 -6.940 -39.449 1.00 1.00 C ATOM 310 O VAL A 60 -2.587 -7.588 -40.495 1.00 1.00 O ATOM 311 CB VAL A 60 -4.504 -5.854 -38.288 1.00 1.00 C ATOM 312 CG1 VAL A 60 -5.057 -5.460 -39.649 1.00 1.00 C ATOM 313 CG2 VAL A 60 -5.627 -6.034 -37.278 1.00 1.00 C ATOM 0 H VAL A 60 -3.369 -6.910 -36.334 1.00 1.00 H new ATOM 0 HA VAL A 60 -4.313 -7.963 -38.700 1.00 1.00 H new ATOM 0 HB VAL A 60 -3.858 -5.049 -37.938 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -5.647 -4.549 -39.552 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -4.232 -5.287 -40.340 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -5.688 -6.262 -40.031 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -6.209 -5.115 -37.214 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -6.274 -6.852 -37.595 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -5.204 -6.264 -36.300 1.00 1.00 H new ATOM 323 N ALA A 61 -1.647 -6.037 -39.163 1.00 1.00 N ATOM 324 CA ALA A 61 -0.554 -5.751 -40.084 1.00 1.00 C ATOM 325 C ALA A 61 0.308 -6.987 -40.314 1.00 1.00 C ATOM 326 O ALA A 61 0.838 -7.192 -41.407 1.00 1.00 O ATOM 327 CB ALA A 61 0.295 -4.604 -39.555 1.00 1.00 C ATOM 0 H ALA A 61 -1.627 -5.492 -38.301 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.985 -5.458 -41.041 1.00 1.00 H new ATOM 0 HB1 ALA A 61 1.108 -4.401 -40.253 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -0.323 -3.713 -39.449 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.710 -4.876 -38.584 1.00 1.00 H new ATOM 333 N LEU A 62 0.444 -7.809 -39.279 1.00 1.00 N ATOM 334 CA LEU A 62 1.243 -9.026 -39.368 1.00 1.00 C ATOM 335 C LEU A 62 0.632 -10.007 -40.363 1.00 1.00 C ATOM 336 O LEU A 62 1.260 -10.373 -41.355 1.00 1.00 O ATOM 337 CB LEU A 62 1.361 -9.684 -37.992 1.00 1.00 C ATOM 338 CG LEU A 62 2.551 -9.246 -37.138 1.00 1.00 C ATOM 339 CD1 LEU A 62 2.444 -9.825 -35.736 1.00 1.00 C ATOM 340 CD2 LEU A 62 3.860 -9.666 -37.792 1.00 1.00 C ATOM 0 H LEU A 62 0.011 -7.655 -38.368 1.00 1.00 H new ATOM 0 HA LEU A 62 2.238 -8.753 -39.720 1.00 1.00 H new ATOM 0 HB2 LEU A 62 0.446 -9.482 -37.435 1.00 1.00 H new ATOM 0 HB3 LEU A 62 1.417 -10.764 -38.131 1.00 1.00 H new ATOM 0 HG LEU A 62 2.538 -8.159 -37.062 1.00 1.00 H new ATOM 0 HD11 LEU A 62 3.300 -9.502 -35.143 1.00 1.00 H new ATOM 0 HD12 LEU A 62 1.525 -9.475 -35.267 1.00 1.00 H new ATOM 0 HD13 LEU A 62 2.431 -10.913 -35.792 1.00 1.00 H new ATOM 0 HD21 LEU A 62 4.696 -9.346 -37.170 1.00 1.00 H new ATOM 0 HD22 LEU A 62 3.882 -10.750 -37.899 1.00 1.00 H new ATOM 0 HD23 LEU A 62 3.941 -9.203 -38.775 1.00 1.00 H new ATOM 352 N GLY A 63 -0.600 -10.427 -40.091 1.00 1.00 N ATOM 353 CA GLY A 63 -1.278 -11.359 -40.974 1.00 1.00 C ATOM 354 C GLY A 63 -1.279 -10.894 -42.417 1.00 1.00 C ATOM 355 O GLY A 63 -0.959 -11.663 -43.324 1.00 1.00 O ATOM 0 H GLY A 63 -1.141 -10.139 -39.275 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -0.794 -12.333 -40.910 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -2.306 -11.491 -40.637 1.00 1.00 H new ATOM 359 N ILE A 64 -1.642 -9.634 -42.630 1.00 1.00 N ATOM 360 CA ILE A 64 -1.685 -9.069 -43.973 1.00 1.00 C ATOM 361 C ILE A 64 -0.287 -8.974 -44.575 1.00 1.00 C ATOM 362 O ILE A 64 -0.083 -9.275 -45.750 1.00 1.00 O ATOM 363 CB ILE A 64 -2.328 -7.670 -43.975 1.00 1.00 C ATOM 364 CG1 ILE A 64 -3.742 -7.734 -43.392 1.00 1.00 C ATOM 365 CG2 ILE A 64 -2.357 -7.102 -45.386 1.00 1.00 C ATOM 366 CD1 ILE A 64 -4.362 -6.374 -43.160 1.00 1.00 C ATOM 0 H ILE A 64 -1.911 -8.985 -41.890 1.00 1.00 H new ATOM 0 HA ILE A 64 -2.294 -9.741 -44.578 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.727 -7.009 -43.351 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -4.379 -8.304 -44.068 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.713 -8.277 -42.447 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -2.814 -6.113 -45.371 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -1.339 -7.025 -45.768 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.938 -7.761 -46.031 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.363 -6.496 -42.746 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.747 -5.808 -42.461 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.424 -5.836 -44.106 1.00 1.00 H new ATOM 378 N GLY A 65 0.676 -8.554 -43.758 1.00 1.00 N ATOM 379 CA GLY A 65 2.043 -8.428 -44.227 1.00 1.00 C ATOM 380 C GLY A 65 2.632 -9.756 -44.660 1.00 1.00 C ATOM 381 O GLY A 65 3.200 -9.867 -45.747 1.00 1.00 O ATOM 0 H GLY A 65 0.533 -8.299 -42.781 1.00 1.00 H new ATOM 0 HA2 GLY A 65 2.074 -7.730 -45.064 1.00 1.00 H new ATOM 0 HA3 GLY A 65 2.658 -8.002 -43.434 1.00 1.00 H new ATOM 385 N LEU A 66 2.499 -10.766 -43.807 1.00 1.00 N ATOM 386 CA LEU A 66 3.024 -12.094 -44.107 1.00 1.00 C ATOM 387 C LEU A 66 2.314 -12.701 -45.313 1.00 1.00 C ATOM 388 O LEU A 66 2.904 -13.473 -46.070 1.00 1.00 O ATOM 389 CB LEU A 66 2.866 -13.012 -42.893 1.00 1.00 C ATOM 390 CG LEU A 66 3.627 -12.596 -41.634 1.00 1.00 C ATOM 391 CD1 LEU A 66 2.968 -13.182 -40.394 1.00 1.00 C ATOM 392 CD2 LEU A 66 5.083 -13.029 -41.722 1.00 1.00 C ATOM 0 H LEU A 66 2.033 -10.691 -42.903 1.00 1.00 H new ATOM 0 HA LEU A 66 4.083 -11.994 -44.345 1.00 1.00 H new ATOM 0 HB2 LEU A 66 1.806 -13.078 -42.648 1.00 1.00 H new ATOM 0 HB3 LEU A 66 3.190 -14.014 -43.175 1.00 1.00 H new ATOM 0 HG LEU A 66 3.597 -11.509 -41.557 1.00 1.00 H new ATOM 0 HD11 LEU A 66 3.523 -12.875 -39.508 1.00 1.00 H new ATOM 0 HD12 LEU A 66 1.942 -12.821 -40.322 1.00 1.00 H new ATOM 0 HD13 LEU A 66 2.966 -14.270 -40.463 1.00 1.00 H new ATOM 0 HD21 LEU A 66 5.609 -12.724 -40.817 1.00 1.00 H new ATOM 0 HD22 LEU A 66 5.135 -14.113 -41.824 1.00 1.00 H new ATOM 0 HD23 LEU A 66 5.550 -12.560 -42.588 1.00 1.00 H new ATOM 404 N PHE A 67 1.046 -12.345 -45.487 1.00 1.00 N ATOM 405 CA PHE A 67 0.255 -12.855 -46.602 1.00 1.00 C ATOM 406 C PHE A 67 0.660 -12.179 -47.909 1.00 1.00 C ATOM 407 O PHE A 67 0.852 -12.841 -48.928 1.00 1.00 O ATOM 408 CB PHE A 67 -1.236 -12.633 -46.340 1.00 1.00 C ATOM 409 CG PHE A 67 -2.124 -13.585 -47.090 1.00 1.00 C ATOM 410 CD1 PHE A 67 -2.263 -14.899 -46.671 1.00 1.00 C ATOM 411 CD2 PHE A 67 -2.820 -13.167 -48.212 1.00 1.00 C ATOM 412 CE1 PHE A 67 -3.078 -15.777 -47.359 1.00 1.00 C ATOM 413 CE2 PHE A 67 -3.638 -14.040 -48.904 1.00 1.00 C ATOM 414 CZ PHE A 67 -3.768 -15.347 -48.476 1.00 1.00 C ATOM 0 H PHE A 67 0.544 -11.706 -44.871 1.00 1.00 H new ATOM 0 HA PHE A 67 0.446 -13.924 -46.692 1.00 1.00 H new ATOM 0 HB2 PHE A 67 -1.428 -12.734 -45.272 1.00 1.00 H new ATOM 0 HB3 PHE A 67 -1.497 -11.611 -46.616 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -1.728 -15.240 -45.797 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -2.722 -12.146 -48.550 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -3.176 -16.799 -47.024 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -4.175 -13.701 -49.778 1.00 1.00 H new ATOM 0 HZ PHE A 67 -4.408 -16.031 -49.013 1.00 1.00 H new ATOM 424 N MET A 68 0.785 -10.857 -47.870 1.00 1.00 N ATOM 425 CA MET A 68 1.167 -10.091 -49.051 1.00 1.00 C ATOM 426 C MET A 68 2.636 -10.315 -49.394 1.00 1.00 C ATOM 427 O MET A 68 3.093 -9.951 -50.477 1.00 1.00 O ATOM 428 CB MET A 68 0.905 -8.601 -48.825 1.00 1.00 C ATOM 429 CG MET A 68 -0.530 -8.288 -48.432 1.00 1.00 C ATOM 430 SD MET A 68 -1.596 -8.012 -49.860 1.00 1.00 S ATOM 431 CE MET A 68 -3.127 -8.743 -49.285 1.00 1.00 C ATOM 0 H MET A 68 0.628 -10.294 -47.034 1.00 1.00 H new ATOM 0 HA MET A 68 0.561 -10.436 -49.889 1.00 1.00 H new ATOM 0 HB2 MET A 68 1.574 -8.237 -48.045 1.00 1.00 H new ATOM 0 HB3 MET A 68 1.151 -8.055 -49.736 1.00 1.00 H new ATOM 0 HG2 MET A 68 -0.928 -9.112 -47.840 1.00 1.00 H new ATOM 0 HG3 MET A 68 -0.544 -7.403 -47.796 1.00 1.00 H new ATOM 0 HE1 MET A 68 -3.888 -8.651 -50.060 1.00 1.00 H new ATOM 0 HE2 MET A 68 -2.965 -9.797 -49.059 1.00 1.00 H new ATOM 0 HE3 MET A 68 -3.461 -8.227 -48.385 1.00 1.00 H new ATOM 441 N ARG A 69 3.371 -10.916 -48.464 1.00 1.00 N ATOM 442 CA ARG A 69 4.789 -11.186 -48.667 1.00 1.00 C ATOM 443 C ARG A 69 4.988 -12.387 -49.587 1.00 1.00 C ATOM 444 O ARG A 69 6.110 -12.693 -49.991 1.00 1.00 O ATOM 445 CB ARG A 69 5.479 -11.438 -47.325 1.00 1.00 C ATOM 446 CG ARG A 69 6.032 -10.179 -46.678 1.00 1.00 C ATOM 447 CD ARG A 69 6.498 -10.442 -45.255 1.00 1.00 C ATOM 448 NE ARG A 69 7.858 -10.972 -45.214 1.00 1.00 N ATOM 449 CZ ARG A 69 8.630 -10.934 -44.133 1.00 1.00 C ATOM 450 NH1 ARG A 69 8.178 -10.392 -43.010 1.00 1.00 N ATOM 451 NH2 ARG A 69 9.857 -11.437 -44.174 1.00 1.00 N ATOM 0 H ARG A 69 3.008 -11.225 -47.562 1.00 1.00 H new ATOM 0 HA ARG A 69 5.236 -10.311 -49.139 1.00 1.00 H new ATOM 0 HB2 ARG A 69 4.768 -11.905 -46.643 1.00 1.00 H new ATOM 0 HB3 ARG A 69 6.293 -12.148 -47.472 1.00 1.00 H new ATOM 0 HG2 ARG A 69 6.865 -9.800 -47.270 1.00 1.00 H new ATOM 0 HG3 ARG A 69 5.265 -9.404 -46.674 1.00 1.00 H new ATOM 0 HD2 ARG A 69 6.452 -9.516 -44.682 1.00 1.00 H new ATOM 0 HD3 ARG A 69 5.819 -11.148 -44.776 1.00 1.00 H new ATOM 0 HE ARG A 69 8.236 -11.395 -46.062 1.00 1.00 H new ATOM 0 HH11 ARG A 69 7.236 -10.003 -42.975 1.00 1.00 H new ATOM 0 HH12 ARG A 69 8.773 -10.364 -42.182 1.00 1.00 H new ATOM 0 HH21 ARG A 69 10.209 -11.854 -45.036 1.00 1.00 H new ATOM 0 HH22 ARG A 69 10.448 -11.407 -43.344 1.00 1.00 H new ATOM 465 N ARG A 70 3.892 -13.064 -49.913 1.00 1.00 N ATOM 466 CA ARG A 70 3.945 -14.230 -50.785 1.00 1.00 C ATOM 467 C ARG A 70 3.917 -13.813 -52.253 1.00 1.00 C ATOM 468 O ARG A 70 4.630 -14.378 -53.083 1.00 1.00 O ATOM 469 CB ARG A 70 2.776 -15.170 -50.488 1.00 1.00 C ATOM 470 CG ARG A 70 2.590 -15.463 -49.008 1.00 1.00 C ATOM 471 CD ARG A 70 1.477 -16.473 -48.775 1.00 1.00 C ATOM 472 NE ARG A 70 1.306 -16.781 -47.358 1.00 1.00 N ATOM 473 CZ ARG A 70 2.146 -17.540 -46.664 1.00 1.00 C ATOM 474 NH1 ARG A 70 3.211 -18.066 -47.254 1.00 1.00 N ATOM 475 NH2 ARG A 70 1.922 -17.775 -45.378 1.00 1.00 N ATOM 0 H ARG A 70 2.956 -12.824 -49.586 1.00 1.00 H new ATOM 0 HA ARG A 70 4.881 -14.754 -50.592 1.00 1.00 H new ATOM 0 HB2 ARG A 70 1.859 -14.731 -50.881 1.00 1.00 H new ATOM 0 HB3 ARG A 70 2.932 -16.109 -51.019 1.00 1.00 H new ATOM 0 HG2 ARG A 70 3.522 -15.845 -48.592 1.00 1.00 H new ATOM 0 HG3 ARG A 70 2.360 -14.538 -48.479 1.00 1.00 H new ATOM 0 HD2 ARG A 70 0.542 -16.081 -49.176 1.00 1.00 H new ATOM 0 HD3 ARG A 70 1.699 -17.390 -49.321 1.00 1.00 H new ATOM 0 HE ARG A 70 0.497 -16.392 -46.875 1.00 1.00 H new ATOM 0 HH11 ARG A 70 3.386 -17.888 -48.243 1.00 1.00 H new ATOM 0 HH12 ARG A 70 3.855 -18.649 -46.719 1.00 1.00 H new ATOM 0 HH21 ARG A 70 1.104 -17.373 -44.921 1.00 1.00 H new ATOM 0 HH22 ARG A 70 2.568 -18.358 -44.846 1.00 1.00 H new ATOM 489 N ARG A 71 3.088 -12.822 -52.565 1.00 1.00 N ATOM 490 CA ARG A 71 2.966 -12.330 -53.932 1.00 1.00 C ATOM 491 C ARG A 71 3.982 -11.225 -54.204 1.00 1.00 C ATOM 492 O ARG A 71 4.458 -11.068 -55.329 1.00 1.00 O ATOM 493 CB ARG A 71 1.550 -11.809 -54.185 1.00 1.00 C ATOM 494 CG ARG A 71 0.596 -12.870 -54.709 1.00 1.00 C ATOM 495 CD ARG A 71 -0.364 -12.295 -55.740 1.00 1.00 C ATOM 496 NE ARG A 71 0.284 -12.078 -57.030 1.00 1.00 N ATOM 497 CZ ARG A 71 -0.379 -11.965 -58.176 1.00 1.00 C ATOM 498 NH1 ARG A 71 -1.702 -12.046 -58.190 1.00 1.00 N ATOM 499 NH2 ARG A 71 0.281 -11.769 -59.310 1.00 1.00 N ATOM 0 H ARG A 71 2.491 -12.344 -51.890 1.00 1.00 H new ATOM 0 HA ARG A 71 3.167 -13.160 -54.610 1.00 1.00 H new ATOM 0 HB2 ARG A 71 1.151 -11.400 -53.257 1.00 1.00 H new ATOM 0 HB3 ARG A 71 1.596 -10.988 -54.901 1.00 1.00 H new ATOM 0 HG2 ARG A 71 1.166 -13.685 -55.155 1.00 1.00 H new ATOM 0 HG3 ARG A 71 0.030 -13.294 -53.879 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -1.208 -12.973 -55.868 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -0.767 -11.351 -55.373 1.00 1.00 H new ATOM 0 HE ARG A 71 1.301 -12.009 -57.053 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -2.213 -12.195 -57.320 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -2.209 -11.959 -59.071 1.00 1.00 H new ATOM 0 HH21 ARG A 71 1.299 -11.705 -59.303 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -0.230 -11.683 -60.189 1.00 1.00 H new ATOM 513 N HIS A 72 4.310 -10.460 -53.167 1.00 1.00 N ATOM 514 CA HIS A 72 5.268 -9.369 -53.294 1.00 1.00 C ATOM 515 C HIS A 72 6.647 -9.898 -53.679 1.00 1.00 C ATOM 516 O HIS A 72 7.515 -9.140 -54.111 1.00 1.00 O ATOM 517 CB HIS A 72 5.357 -8.584 -51.985 1.00 1.00 C ATOM 518 CG HIS A 72 4.394 -7.440 -51.905 1.00 1.00 C ATOM 519 ND1 HIS A 72 3.870 -6.979 -50.716 1.00 1.00 N ATOM 520 CD2 HIS A 72 3.861 -6.663 -52.877 1.00 1.00 C ATOM 521 CE1 HIS A 72 3.055 -5.968 -50.960 1.00 1.00 C ATOM 522 NE2 HIS A 72 3.032 -5.756 -52.263 1.00 1.00 N ATOM 0 H HIS A 72 3.926 -10.576 -52.229 1.00 1.00 H new ATOM 0 HA HIS A 72 4.920 -8.704 -54.084 1.00 1.00 H new ATOM 0 HB2 HIS A 72 5.173 -9.262 -51.151 1.00 1.00 H new ATOM 0 HB3 HIS A 72 6.371 -8.203 -51.868 1.00 1.00 H new ATOM 0 HD2 HIS A 72 4.052 -6.742 -53.937 1.00 1.00 H new ATOM 0 HE1 HIS A 72 2.502 -5.410 -50.219 1.00 1.00 H new ATOM 0 HE2 HIS A 72 2.487 -5.036 -52.737 1.00 1.00 H new ATOM 530 N ILE A 73 6.840 -11.203 -53.517 1.00 1.00 N ATOM 531 CA ILE A 73 8.112 -11.833 -53.848 1.00 1.00 C ATOM 532 C ILE A 73 8.566 -11.450 -55.252 1.00 1.00 C ATOM 533 O ILE A 73 9.763 -11.401 -55.538 1.00 1.00 O ATOM 534 CB ILE A 73 8.022 -13.367 -53.751 1.00 1.00 C ATOM 535 CG1 ILE A 73 7.658 -13.789 -52.326 1.00 1.00 C ATOM 536 CG2 ILE A 73 9.337 -14.003 -54.177 1.00 1.00 C ATOM 537 CD1 ILE A 73 8.630 -13.290 -51.281 1.00 1.00 C ATOM 0 H ILE A 73 6.132 -11.844 -53.159 1.00 1.00 H new ATOM 0 HA ILE A 73 8.841 -11.473 -53.122 1.00 1.00 H new ATOM 0 HB ILE A 73 7.238 -13.713 -54.425 1.00 1.00 H new ATOM 0 HG12 ILE A 73 6.661 -13.418 -52.089 1.00 1.00 H new ATOM 0 HG13 ILE A 73 7.613 -14.877 -52.278 1.00 1.00 H new ATOM 0 HG21 ILE A 73 9.257 -15.088 -54.103 1.00 1.00 H new ATOM 0 HG22 ILE A 73 9.559 -13.725 -55.207 1.00 1.00 H new ATOM 0 HG23 ILE A 73 10.138 -13.653 -53.526 1.00 1.00 H new ATOM 0 HD11 ILE A 73 8.309 -13.627 -50.295 1.00 1.00 H new ATOM 0 HD12 ILE A 73 9.625 -13.682 -51.493 1.00 1.00 H new ATOM 0 HD13 ILE A 73 8.658 -12.201 -51.301 1.00 1.00 H new ATOM 549 N VAL A 74 7.603 -11.176 -56.126 1.00 1.00 N ATOM 550 CA VAL A 74 7.903 -10.795 -57.501 1.00 1.00 C ATOM 551 C VAL A 74 8.617 -9.449 -57.554 1.00 1.00 C ATOM 552 O VAL A 74 8.502 -8.637 -56.636 1.00 1.00 O ATOM 553 CB VAL A 74 6.623 -10.719 -58.355 1.00 1.00 C ATOM 554 CG1 VAL A 74 6.972 -10.615 -59.832 1.00 1.00 C ATOM 555 CG2 VAL A 74 5.735 -11.925 -58.092 1.00 1.00 C ATOM 0 H VAL A 74 6.608 -11.211 -55.906 1.00 1.00 H new ATOM 0 HA VAL A 74 8.557 -11.567 -57.908 1.00 1.00 H new ATOM 0 HB VAL A 74 6.071 -9.822 -58.073 1.00 1.00 H new ATOM 0 HG11 VAL A 74 6.055 -10.562 -60.420 1.00 1.00 H new ATOM 0 HG12 VAL A 74 7.565 -9.717 -60.003 1.00 1.00 H new ATOM 0 HG13 VAL A 74 7.546 -11.491 -60.133 1.00 1.00 H new ATOM 0 HG21 VAL A 74 4.835 -11.855 -58.704 1.00 1.00 H new ATOM 0 HG22 VAL A 74 6.276 -12.837 -58.345 1.00 1.00 H new ATOM 0 HG23 VAL A 74 5.456 -11.949 -57.038 1.00 1.00 H new ATOM 565 N ARG A 75 9.354 -9.218 -58.636 1.00 1.00 N ATOM 566 CA ARG A 75 10.086 -7.970 -58.810 1.00 1.00 C ATOM 567 C ARG A 75 9.177 -6.768 -58.568 1.00 1.00 C ATOM 568 O ARG A 75 8.332 -6.437 -59.400 1.00 1.00 O ATOM 569 CB ARG A 75 10.684 -7.895 -60.216 1.00 1.00 C ATOM 570 CG ARG A 75 11.660 -9.020 -60.523 1.00 1.00 C ATOM 571 CD ARG A 75 11.970 -9.098 -62.010 1.00 1.00 C ATOM 572 NE ARG A 75 10.771 -9.341 -62.807 1.00 1.00 N ATOM 573 CZ ARG A 75 10.791 -9.562 -64.116 1.00 1.00 C ATOM 574 NH1 ARG A 75 11.943 -9.572 -64.772 1.00 1.00 N ATOM 575 NH2 ARG A 75 9.658 -9.775 -64.772 1.00 1.00 N ATOM 0 H ARG A 75 9.460 -9.879 -59.405 1.00 1.00 H new ATOM 0 HA ARG A 75 10.893 -7.947 -58.078 1.00 1.00 H new ATOM 0 HB2 ARG A 75 9.876 -7.917 -60.947 1.00 1.00 H new ATOM 0 HB3 ARG A 75 11.195 -6.939 -60.334 1.00 1.00 H new ATOM 0 HG2 ARG A 75 12.584 -8.864 -59.965 1.00 1.00 H new ATOM 0 HG3 ARG A 75 11.241 -9.969 -60.187 1.00 1.00 H new ATOM 0 HD2 ARG A 75 12.437 -8.167 -62.332 1.00 1.00 H new ATOM 0 HD3 ARG A 75 12.692 -9.895 -62.189 1.00 1.00 H new ATOM 0 HE ARG A 75 9.868 -9.341 -62.332 1.00 1.00 H new ATOM 0 HH11 ARG A 75 12.817 -9.410 -64.271 1.00 1.00 H new ATOM 0 HH12 ARG A 75 11.956 -9.742 -65.778 1.00 1.00 H new ATOM 0 HH21 ARG A 75 8.770 -9.769 -64.271 1.00 1.00 H new ATOM 0 HH22 ARG A 75 9.675 -9.945 -65.778 1.00 1.00 H new ATOM 589 N LYS A 76 9.356 -6.118 -57.423 1.00 1.00 N ATOM 590 CA LYS A 76 8.554 -4.953 -57.070 1.00 1.00 C ATOM 591 C LYS A 76 8.759 -3.826 -58.076 1.00 1.00 C ATOM 592 O LYS A 76 7.947 -2.904 -58.165 1.00 1.00 O ATOM 593 CB LYS A 76 8.913 -4.468 -55.664 1.00 1.00 C ATOM 594 CG LYS A 76 8.483 -5.421 -54.562 1.00 1.00 C ATOM 595 CD LYS A 76 9.537 -6.485 -54.303 1.00 1.00 C ATOM 596 CE LYS A 76 9.314 -7.176 -52.967 1.00 1.00 C ATOM 597 NZ LYS A 76 10.031 -6.487 -51.859 1.00 1.00 N ATOM 0 H LYS A 76 10.050 -6.379 -56.723 1.00 1.00 H new ATOM 0 HA LYS A 76 7.504 -5.246 -57.089 1.00 1.00 H new ATOM 0 HB2 LYS A 76 9.991 -4.320 -55.604 1.00 1.00 H new ATOM 0 HB3 LYS A 76 8.448 -3.497 -55.494 1.00 1.00 H new ATOM 0 HG2 LYS A 76 8.298 -4.860 -53.646 1.00 1.00 H new ATOM 0 HG3 LYS A 76 7.543 -5.898 -54.839 1.00 1.00 H new ATOM 0 HD2 LYS A 76 9.514 -7.224 -55.104 1.00 1.00 H new ATOM 0 HD3 LYS A 76 10.527 -6.029 -54.317 1.00 1.00 H new ATOM 0 HE2 LYS A 76 8.247 -7.204 -52.747 1.00 1.00 H new ATOM 0 HE3 LYS A 76 9.654 -8.210 -53.032 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 9.853 -6.989 -50.966 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 11.052 -6.482 -52.056 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 9.689 -5.508 -51.780 1.00 1.00 H new ATOM 611 N ARG A 77 9.848 -3.906 -58.834 1.00 1.00 N ATOM 612 CA ARG A 77 10.159 -2.892 -59.834 1.00 1.00 C ATOM 613 C ARG A 77 8.993 -2.705 -60.800 1.00 1.00 C ATOM 614 O ARG A 77 8.743 -1.600 -61.283 1.00 1.00 O ATOM 615 CB ARG A 77 11.420 -3.280 -60.609 1.00 1.00 C ATOM 616 CG ARG A 77 12.702 -2.739 -59.996 1.00 1.00 C ATOM 617 CD ARG A 77 12.885 -1.261 -60.303 1.00 1.00 C ATOM 618 NE ARG A 77 14.223 -0.791 -59.953 1.00 1.00 N ATOM 619 CZ ARG A 77 14.679 0.420 -60.254 1.00 1.00 C ATOM 620 NH1 ARG A 77 13.908 1.279 -60.907 1.00 1.00 N ATOM 621 NH2 ARG A 77 15.909 0.774 -59.902 1.00 1.00 N ATOM 0 H ARG A 77 10.529 -4.663 -58.774 1.00 1.00 H new ATOM 0 HA ARG A 77 10.334 -1.949 -59.316 1.00 1.00 H new ATOM 0 HB2 ARG A 77 11.483 -4.367 -60.663 1.00 1.00 H new ATOM 0 HB3 ARG A 77 11.334 -2.915 -61.632 1.00 1.00 H new ATOM 0 HG2 ARG A 77 12.682 -2.888 -58.916 1.00 1.00 H new ATOM 0 HG3 ARG A 77 13.555 -3.300 -60.379 1.00 1.00 H new ATOM 0 HD2 ARG A 77 12.705 -1.086 -61.364 1.00 1.00 H new ATOM 0 HD3 ARG A 77 12.142 -0.682 -59.754 1.00 1.00 H new ATOM 0 HE ARG A 77 14.841 -1.427 -59.450 1.00 1.00 H new ATOM 0 HH11 ARG A 77 12.962 1.011 -61.179 1.00 1.00 H new ATOM 0 HH12 ARG A 77 14.261 2.208 -61.137 1.00 1.00 H new ATOM 0 HH21 ARG A 77 16.505 0.116 -59.400 1.00 1.00 H new ATOM 0 HH22 ARG A 77 16.258 1.704 -60.134 1.00 1.00 H new ATOM 635 N THR A 78 8.282 -3.793 -61.080 1.00 1.00 N ATOM 636 CA THR A 78 7.144 -3.750 -61.989 1.00 1.00 C ATOM 637 C THR A 78 6.164 -2.653 -61.591 1.00 1.00 C ATOM 638 O THR A 78 5.563 -2.003 -62.447 1.00 1.00 O ATOM 639 CB THR A 78 6.401 -5.099 -62.024 1.00 1.00 C ATOM 640 OG1 THR A 78 5.303 -5.030 -62.939 1.00 1.00 O ATOM 641 CG2 THR A 78 5.892 -5.472 -60.640 1.00 1.00 C ATOM 0 H THR A 78 8.475 -4.715 -60.690 1.00 1.00 H new ATOM 0 HA THR A 78 7.540 -3.537 -62.982 1.00 1.00 H new ATOM 0 HB THR A 78 7.101 -5.866 -62.355 1.00 1.00 H new ATOM 0 HG1 THR A 78 4.837 -5.892 -62.956 1.00 1.00 H new ATOM 0 HG21 THR A 78 5.371 -6.428 -60.689 1.00 1.00 H new ATOM 0 HG22 THR A 78 6.734 -5.553 -59.952 1.00 1.00 H new ATOM 0 HG23 THR A 78 5.206 -4.703 -60.285 1.00 1.00 H new ATOM 649 N LEU A 79 6.006 -2.451 -60.288 1.00 1.00 N ATOM 650 CA LEU A 79 5.097 -1.432 -59.776 1.00 1.00 C ATOM 651 C LEU A 79 5.560 -0.036 -60.183 1.00 1.00 C ATOM 652 O LEU A 79 4.745 0.832 -60.495 1.00 1.00 O ATOM 653 CB LEU A 79 5.001 -1.525 -58.252 1.00 1.00 C ATOM 654 CG LEU A 79 4.029 -2.570 -57.704 1.00 1.00 C ATOM 655 CD1 LEU A 79 4.519 -3.974 -58.022 1.00 1.00 C ATOM 656 CD2 LEU A 79 3.847 -2.394 -56.203 1.00 1.00 C ATOM 0 H LEU A 79 6.496 -2.980 -59.566 1.00 1.00 H new ATOM 0 HA LEU A 79 4.112 -1.609 -60.207 1.00 1.00 H new ATOM 0 HB2 LEU A 79 5.994 -1.740 -57.858 1.00 1.00 H new ATOM 0 HB3 LEU A 79 4.709 -0.548 -57.866 1.00 1.00 H new ATOM 0 HG LEU A 79 3.062 -2.427 -58.187 1.00 1.00 H new ATOM 0 HD11 LEU A 79 3.814 -4.704 -57.624 1.00 1.00 H new ATOM 0 HD12 LEU A 79 4.597 -4.096 -59.102 1.00 1.00 H new ATOM 0 HD13 LEU A 79 5.498 -4.129 -57.568 1.00 1.00 H new ATOM 0 HD21 LEU A 79 3.152 -3.146 -55.830 1.00 1.00 H new ATOM 0 HD22 LEU A 79 4.809 -2.510 -55.704 1.00 1.00 H new ATOM 0 HD23 LEU A 79 3.449 -1.400 -55.999 1.00 1.00 H new ATOM 668 N ARG A 80 6.873 0.171 -60.179 1.00 1.00 N ATOM 669 CA ARG A 80 7.444 1.460 -60.549 1.00 1.00 C ATOM 670 C ARG A 80 7.276 1.720 -62.043 1.00 1.00 C ATOM 671 O ARG A 80 7.033 2.852 -62.463 1.00 1.00 O ATOM 672 CB ARG A 80 8.926 1.512 -60.175 1.00 1.00 C ATOM 673 CG ARG A 80 9.174 1.806 -58.705 1.00 1.00 C ATOM 674 CD ARG A 80 9.273 0.527 -57.889 1.00 1.00 C ATOM 675 NE ARG A 80 9.517 0.797 -56.475 1.00 1.00 N ATOM 676 CZ ARG A 80 10.019 -0.099 -55.632 1.00 1.00 C ATOM 677 NH1 ARG A 80 10.329 -1.315 -56.059 1.00 1.00 N ATOM 678 NH2 ARG A 80 10.212 0.222 -54.359 1.00 1.00 N ATOM 0 H ARG A 80 7.561 -0.537 -59.924 1.00 1.00 H new ATOM 0 HA ARG A 80 6.911 2.236 -60.000 1.00 1.00 H new ATOM 0 HB2 ARG A 80 9.390 0.559 -60.429 1.00 1.00 H new ATOM 0 HB3 ARG A 80 9.417 2.276 -60.777 1.00 1.00 H new ATOM 0 HG2 ARG A 80 10.095 2.379 -58.598 1.00 1.00 H new ATOM 0 HG3 ARG A 80 8.366 2.425 -58.316 1.00 1.00 H new ATOM 0 HD2 ARG A 80 8.350 -0.043 -57.995 1.00 1.00 H new ATOM 0 HD3 ARG A 80 10.078 -0.093 -58.284 1.00 1.00 H new ATOM 0 HE ARG A 80 9.290 1.724 -56.115 1.00 1.00 H new ATOM 0 HH11 ARG A 80 10.182 -1.565 -57.037 1.00 1.00 H new ATOM 0 HH12 ARG A 80 10.714 -2.001 -55.410 1.00 1.00 H new ATOM 0 HH21 ARG A 80 9.975 1.157 -54.027 1.00 1.00 H new ATOM 0 HH22 ARG A 80 10.597 -0.466 -53.712 1.00 1.00 H new ATOM 692 N ARG A 81 7.407 0.665 -62.841 1.00 1.00 N ATOM 693 CA ARG A 81 7.270 0.779 -64.288 1.00 1.00 C ATOM 694 C ARG A 81 5.807 0.949 -64.685 1.00 1.00 C ATOM 695 O ARG A 81 5.488 1.673 -65.629 1.00 1.00 O ATOM 696 CB ARG A 81 7.856 -0.455 -64.976 1.00 1.00 C ATOM 697 CG ARG A 81 9.334 -0.324 -65.306 1.00 1.00 C ATOM 698 CD ARG A 81 9.569 0.681 -66.422 1.00 1.00 C ATOM 699 NE ARG A 81 9.022 0.221 -67.696 1.00 1.00 N ATOM 700 CZ ARG A 81 9.201 0.862 -68.846 1.00 1.00 C ATOM 701 NH1 ARG A 81 9.908 1.983 -68.882 1.00 1.00 N ATOM 702 NH2 ARG A 81 8.671 0.381 -69.964 1.00 1.00 N ATOM 0 H ARG A 81 7.608 -0.279 -62.510 1.00 1.00 H new ATOM 0 HA ARG A 81 7.821 1.663 -64.611 1.00 1.00 H new ATOM 0 HB2 ARG A 81 7.712 -1.322 -64.332 1.00 1.00 H new ATOM 0 HB3 ARG A 81 7.303 -0.645 -65.896 1.00 1.00 H new ATOM 0 HG2 ARG A 81 9.881 -0.014 -64.415 1.00 1.00 H new ATOM 0 HG3 ARG A 81 9.729 -1.296 -65.601 1.00 1.00 H new ATOM 0 HD2 ARG A 81 9.112 1.634 -66.154 1.00 1.00 H new ATOM 0 HD3 ARG A 81 10.639 0.859 -66.530 1.00 1.00 H new ATOM 0 HE ARG A 81 8.473 -0.639 -67.703 1.00 1.00 H new ATOM 0 HH11 ARG A 81 10.317 2.356 -68.025 1.00 1.00 H new ATOM 0 HH12 ARG A 81 10.043 2.472 -69.767 1.00 1.00 H new ATOM 0 HH21 ARG A 81 8.126 -0.481 -69.940 1.00 1.00 H new ATOM 0 HH22 ARG A 81 8.809 0.873 -70.847 1.00 1.00 H new ATOM 716 N LEU A 82 4.921 0.277 -63.958 1.00 1.00 N ATOM 717 CA LEU A 82 3.490 0.354 -64.233 1.00 1.00 C ATOM 718 C LEU A 82 2.935 1.723 -63.855 1.00 1.00 C ATOM 719 O LEU A 82 2.089 2.278 -64.558 1.00 1.00 O ATOM 720 CB LEU A 82 2.744 -0.740 -63.468 1.00 1.00 C ATOM 721 CG LEU A 82 3.042 -2.179 -63.893 1.00 1.00 C ATOM 722 CD1 LEU A 82 2.815 -3.136 -62.733 1.00 1.00 C ATOM 723 CD2 LEU A 82 2.183 -2.571 -65.086 1.00 1.00 C ATOM 0 H LEU A 82 5.168 -0.327 -63.174 1.00 1.00 H new ATOM 0 HA LEU A 82 3.343 0.206 -65.303 1.00 1.00 H new ATOM 0 HB2 LEU A 82 2.979 -0.639 -62.408 1.00 1.00 H new ATOM 0 HB3 LEU A 82 1.673 -0.565 -63.575 1.00 1.00 H new ATOM 0 HG LEU A 82 4.089 -2.241 -64.189 1.00 1.00 H new ATOM 0 HD11 LEU A 82 3.032 -4.155 -63.054 1.00 1.00 H new ATOM 0 HD12 LEU A 82 3.473 -2.868 -61.906 1.00 1.00 H new ATOM 0 HD13 LEU A 82 1.777 -3.072 -62.406 1.00 1.00 H new ATOM 0 HD21 LEU A 82 2.408 -3.598 -65.375 1.00 1.00 H new ATOM 0 HD22 LEU A 82 1.130 -2.492 -64.817 1.00 1.00 H new ATOM 0 HD23 LEU A 82 2.395 -1.904 -65.922 1.00 1.00 H new ATOM 735 N LEU A 83 3.418 2.265 -62.742 1.00 1.00 N ATOM 736 CA LEU A 83 2.972 3.571 -62.271 1.00 1.00 C ATOM 737 C LEU A 83 3.279 4.655 -63.299 1.00 1.00 C ATOM 738 O LEU A 83 2.467 5.549 -63.533 1.00 1.00 O ATOM 739 CB LEU A 83 3.643 3.911 -60.939 1.00 1.00 C ATOM 740 CG LEU A 83 2.907 3.450 -59.680 1.00 1.00 C ATOM 741 CD1 LEU A 83 3.795 3.608 -58.455 1.00 1.00 C ATOM 742 CD2 LEU A 83 1.611 4.227 -59.505 1.00 1.00 C ATOM 0 H LEU A 83 4.119 1.820 -62.149 1.00 1.00 H new ATOM 0 HA LEU A 83 1.892 3.528 -62.127 1.00 1.00 H new ATOM 0 HB2 LEU A 83 4.640 3.471 -60.935 1.00 1.00 H new ATOM 0 HB3 LEU A 83 3.772 4.992 -60.885 1.00 1.00 H new ATOM 0 HG LEU A 83 2.661 2.394 -59.792 1.00 1.00 H new ATOM 0 HD11 LEU A 83 3.255 3.275 -57.569 1.00 1.00 H new ATOM 0 HD12 LEU A 83 4.696 3.006 -58.578 1.00 1.00 H new ATOM 0 HD13 LEU A 83 4.072 4.656 -58.339 1.00 1.00 H new ATOM 0 HD21 LEU A 83 1.101 3.886 -58.604 1.00 1.00 H new ATOM 0 HD22 LEU A 83 1.834 5.290 -59.415 1.00 1.00 H new ATOM 0 HD23 LEU A 83 0.969 4.063 -60.370 1.00 1.00 H new ATOM 754 N GLN A 84 4.456 4.566 -63.911 1.00 1.00 N ATOM 755 CA GLN A 84 4.869 5.538 -64.916 1.00 1.00 C ATOM 756 C GLN A 84 3.819 5.662 -66.016 1.00 1.00 C ATOM 757 O GLN A 84 3.565 6.754 -66.523 1.00 1.00 O ATOM 758 CB GLN A 84 6.215 5.137 -65.522 1.00 1.00 C ATOM 759 CG GLN A 84 7.411 5.600 -64.707 1.00 1.00 C ATOM 760 CD GLN A 84 8.658 4.783 -64.983 1.00 1.00 C ATOM 761 OE1 GLN A 84 9.274 4.239 -64.066 1.00 1.00 O ATOM 762 NE2 GLN A 84 9.036 4.691 -66.253 1.00 1.00 N ATOM 0 H GLN A 84 5.140 3.831 -63.728 1.00 1.00 H new ATOM 0 HA GLN A 84 4.974 6.507 -64.427 1.00 1.00 H new ATOM 0 HB2 GLN A 84 6.251 4.052 -65.620 1.00 1.00 H new ATOM 0 HB3 GLN A 84 6.289 5.551 -66.528 1.00 1.00 H new ATOM 0 HG2 GLN A 84 7.612 6.648 -64.928 1.00 1.00 H new ATOM 0 HG3 GLN A 84 7.169 5.538 -63.646 1.00 1.00 H new ATOM 0 HE21 GLN A 84 8.496 5.158 -66.981 1.00 1.00 H new ATOM 0 HE22 GLN A 84 9.867 4.153 -66.500 1.00 1.00 H new ATOM 771 N GLU A 85 3.215 4.536 -66.380 1.00 1.00 N ATOM 772 CA GLU A 85 2.193 4.520 -67.421 1.00 1.00 C ATOM 773 C GLU A 85 0.851 4.997 -66.874 1.00 1.00 C ATOM 774 O GLU A 85 0.135 5.753 -67.531 1.00 1.00 O ATOM 775 CB GLU A 85 2.048 3.112 -68.002 1.00 1.00 C ATOM 776 CG GLU A 85 2.946 2.852 -69.200 1.00 1.00 C ATOM 777 CD GLU A 85 2.462 1.696 -70.053 1.00 1.00 C ATOM 778 OE1 GLU A 85 1.616 1.928 -70.941 1.00 1.00 O ATOM 779 OE2 GLU A 85 2.928 0.558 -69.831 1.00 1.00 O ATOM 0 H GLU A 85 3.415 3.623 -65.970 1.00 1.00 H new ATOM 0 HA GLU A 85 2.506 5.202 -68.212 1.00 1.00 H new ATOM 0 HB2 GLU A 85 2.274 2.382 -67.224 1.00 1.00 H new ATOM 0 HB3 GLU A 85 1.010 2.954 -68.296 1.00 1.00 H new ATOM 0 HG2 GLU A 85 2.999 3.753 -69.812 1.00 1.00 H new ATOM 0 HG3 GLU A 85 3.958 2.643 -68.852 1.00 1.00 H new ATOM 786 N ARG A 86 0.518 4.550 -65.668 1.00 1.00 N ATOM 787 CA ARG A 86 -0.738 4.930 -65.033 1.00 1.00 C ATOM 788 C ARG A 86 -0.864 6.448 -64.940 1.00 1.00 C ATOM 789 O ARG A 86 -1.936 7.006 -65.167 1.00 1.00 O ATOM 790 CB ARG A 86 -0.835 4.313 -63.636 1.00 1.00 C ATOM 791 CG ARG A 86 -1.283 2.860 -63.642 1.00 1.00 C ATOM 792 CD ARG A 86 -2.797 2.745 -63.711 1.00 1.00 C ATOM 793 NE ARG A 86 -3.440 3.245 -62.499 1.00 1.00 N ATOM 794 CZ ARG A 86 -4.742 3.136 -62.259 1.00 1.00 C ATOM 795 NH1 ARG A 86 -5.536 2.547 -63.143 1.00 1.00 N ATOM 796 NH2 ARG A 86 -5.253 3.616 -61.132 1.00 1.00 N ATOM 0 H ARG A 86 1.100 3.924 -65.111 1.00 1.00 H new ATOM 0 HA ARG A 86 -1.555 4.552 -65.648 1.00 1.00 H new ATOM 0 HB2 ARG A 86 0.138 4.383 -63.149 1.00 1.00 H new ATOM 0 HB3 ARG A 86 -1.534 4.897 -63.038 1.00 1.00 H new ATOM 0 HG2 ARG A 86 -0.839 2.345 -64.493 1.00 1.00 H new ATOM 0 HG3 ARG A 86 -0.920 2.362 -62.743 1.00 1.00 H new ATOM 0 HD2 ARG A 86 -3.164 3.303 -64.572 1.00 1.00 H new ATOM 0 HD3 ARG A 86 -3.075 1.702 -63.865 1.00 1.00 H new ATOM 0 HE ARG A 86 -2.857 3.703 -61.798 1.00 1.00 H new ATOM 0 HH11 ARG A 86 -5.147 2.176 -64.010 1.00 1.00 H new ATOM 0 HH12 ARG A 86 -6.535 2.465 -62.956 1.00 1.00 H new ATOM 0 HH21 ARG A 86 -4.646 4.069 -60.449 1.00 1.00 H new ATOM 0 HH22 ARG A 86 -6.253 3.532 -60.949 1.00 1.00 H new ATOM 810 N GLU A 87 0.240 7.108 -64.605 1.00 1.00 N ATOM 811 CA GLU A 87 0.253 8.561 -64.481 1.00 1.00 C ATOM 812 C GLU A 87 -0.918 9.045 -63.630 1.00 1.00 C ATOM 813 O GLU A 87 -1.552 10.054 -63.941 1.00 1.00 O ATOM 814 CB GLU A 87 0.195 9.213 -65.864 1.00 1.00 C ATOM 815 CG GLU A 87 1.103 10.423 -66.004 1.00 1.00 C ATOM 816 CD GLU A 87 1.078 11.012 -67.401 1.00 1.00 C ATOM 817 OE1 GLU A 87 1.778 10.473 -68.284 1.00 1.00 O ATOM 818 OE2 GLU A 87 0.360 12.012 -67.612 1.00 1.00 O ATOM 0 H GLU A 87 1.136 6.660 -64.415 1.00 1.00 H new ATOM 0 HA GLU A 87 1.182 8.850 -63.989 1.00 1.00 H new ATOM 0 HB2 GLU A 87 0.470 8.474 -66.617 1.00 1.00 H new ATOM 0 HB3 GLU A 87 -0.832 9.514 -66.072 1.00 1.00 H new ATOM 0 HG2 GLU A 87 0.799 11.185 -65.287 1.00 1.00 H new ATOM 0 HG3 GLU A 87 2.124 10.137 -65.752 1.00 1.00 H new ATOM 825 N LEU A 88 -1.199 8.318 -62.554 1.00 1.00 N ATOM 826 CA LEU A 88 -2.294 8.671 -61.657 1.00 1.00 C ATOM 827 C LEU A 88 -1.768 9.029 -60.271 1.00 1.00 C ATOM 828 O LEU A 88 -2.369 9.831 -59.555 1.00 1.00 O ATOM 829 CB LEU A 88 -3.289 7.513 -61.554 1.00 1.00 C ATOM 830 CG LEU A 88 -4.725 7.893 -61.192 1.00 1.00 C ATOM 831 CD1 LEU A 88 -5.706 6.891 -61.780 1.00 1.00 C ATOM 832 CD2 LEU A 88 -4.889 7.980 -59.682 1.00 1.00 C ATOM 0 H LEU A 88 -0.684 7.481 -62.282 1.00 1.00 H new ATOM 0 HA LEU A 88 -2.802 9.543 -62.069 1.00 1.00 H new ATOM 0 HB2 LEU A 88 -3.303 6.986 -62.508 1.00 1.00 H new ATOM 0 HB3 LEU A 88 -2.921 6.809 -60.807 1.00 1.00 H new ATOM 0 HG LEU A 88 -4.940 8.873 -61.617 1.00 1.00 H new ATOM 0 HD11 LEU A 88 -6.723 7.177 -61.512 1.00 1.00 H new ATOM 0 HD12 LEU A 88 -5.606 6.878 -62.865 1.00 1.00 H new ATOM 0 HD13 LEU A 88 -5.493 5.898 -61.385 1.00 1.00 H new ATOM 0 HD21 LEU A 88 -5.917 8.252 -59.443 1.00 1.00 H new ATOM 0 HD22 LEU A 88 -4.655 7.014 -59.234 1.00 1.00 H new ATOM 0 HD23 LEU A 88 -4.212 8.737 -59.286 1.00 1.00 H new ATOM 844 N VAL A 89 -0.641 8.431 -59.898 1.00 1.00 N ATOM 845 CA VAL A 89 -0.031 8.691 -58.600 1.00 1.00 C ATOM 846 C VAL A 89 1.489 8.743 -58.707 1.00 1.00 C ATOM 847 O VAL A 89 2.150 7.709 -58.795 1.00 1.00 O ATOM 848 CB VAL A 89 -0.425 7.615 -57.570 1.00 1.00 C ATOM 849 CG1 VAL A 89 0.239 7.891 -56.229 1.00 1.00 C ATOM 850 CG2 VAL A 89 -1.938 7.550 -57.421 1.00 1.00 C ATOM 0 H VAL A 89 -0.132 7.763 -60.477 1.00 1.00 H new ATOM 0 HA VAL A 89 -0.402 9.659 -58.264 1.00 1.00 H new ATOM 0 HB VAL A 89 -0.076 6.647 -57.929 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -0.051 7.121 -55.514 1.00 1.00 H new ATOM 0 HG12 VAL A 89 1.322 7.884 -56.351 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -0.078 8.866 -55.860 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -2.199 6.785 -56.690 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -2.312 8.517 -57.084 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -2.388 7.302 -58.382 1.00 1.00 H new ATOM 860 N GLU A 90 2.036 9.954 -58.699 1.00 1.00 N ATOM 861 CA GLU A 90 3.479 10.141 -58.795 1.00 1.00 C ATOM 862 C GLU A 90 4.034 10.762 -57.516 1.00 1.00 C ATOM 863 O GLU A 90 3.434 11.670 -56.943 1.00 1.00 O ATOM 864 CB GLU A 90 3.823 11.026 -59.995 1.00 1.00 C ATOM 865 CG GLU A 90 3.552 10.364 -61.336 1.00 1.00 C ATOM 866 CD GLU A 90 4.298 11.030 -62.476 1.00 1.00 C ATOM 867 OE1 GLU A 90 3.885 12.133 -62.890 1.00 1.00 O ATOM 868 OE2 GLU A 90 5.294 10.448 -62.954 1.00 1.00 O ATOM 0 H GLU A 90 1.502 10.820 -58.627 1.00 1.00 H new ATOM 0 HA GLU A 90 3.937 9.162 -58.932 1.00 1.00 H new ATOM 0 HB2 GLU A 90 3.247 11.949 -59.932 1.00 1.00 H new ATOM 0 HB3 GLU A 90 4.876 11.303 -59.942 1.00 1.00 H new ATOM 0 HG2 GLU A 90 3.839 9.314 -61.283 1.00 1.00 H new ATOM 0 HG3 GLU A 90 2.482 10.392 -61.541 1.00 1.00 H new ATOM 875 N GLY A 91 5.185 10.264 -57.074 1.00 1.00 N ATOM 876 CA GLY A 91 5.801 10.780 -55.866 1.00 1.00 C ATOM 877 C GLY A 91 5.527 9.907 -54.657 1.00 1.00 C ATOM 878 O GLY A 91 6.054 8.800 -54.549 1.00 1.00 O ATOM 0 H GLY A 91 5.701 9.513 -57.531 1.00 1.00 H new ATOM 0 HA2 GLY A 91 6.878 10.860 -56.016 1.00 1.00 H new ATOM 0 HA3 GLY A 91 5.431 11.787 -55.675 1.00 1.00 H new ATOM 882 N GLY A 92 4.699 10.406 -53.744 1.00 1.00 N ATOM 883 CA GLY A 92 4.372 9.651 -52.548 1.00 1.00 C ATOM 884 C GLY A 92 3.123 8.809 -52.717 1.00 1.00 C ATOM 885 O GLY A 92 2.265 8.777 -51.836 1.00 1.00 O ATOM 0 H GLY A 92 4.249 11.319 -53.811 1.00 1.00 H new ATOM 0 HA2 GLY A 92 5.210 9.004 -52.290 1.00 1.00 H new ATOM 0 HA3 GLY A 92 4.232 10.339 -51.714 1.00 1.00 H new TER 889 GLY A 92