USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=7 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 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 180:sc=0.000478 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -99:sc= 0.914 USER MOD Single : A 50 MET CE :methyl 143:sc= -0.344 (180deg=-1.82!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.18) USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= -0.201 (180deg=-0.64) USER MOD Single : A 78 THR OG1 : rot 98:sc= 1.03 USER MOD Single : A 84 GLN : amide:sc= -0.776 K(o=-0.78,f=0.051) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 39 1.663 -11.498 -8.534 1.00 1.00 N ATOM 2 CA GLY A 39 2.511 -10.343 -8.305 1.00 1.00 C ATOM 3 C GLY A 39 1.714 -9.085 -8.025 1.00 1.00 C ATOM 4 O GLY A 39 0.624 -9.146 -7.456 1.00 1.00 O ATOM 0 HA2 GLY A 39 3.174 -10.544 -7.464 1.00 1.00 H new ATOM 0 HA3 GLY A 39 3.144 -10.182 -9.178 1.00 1.00 H new ATOM 8 N SER A 40 2.258 -7.940 -8.425 1.00 1.00 N ATOM 9 CA SER A 40 1.593 -6.660 -8.209 1.00 1.00 C ATOM 10 C SER A 40 1.865 -5.704 -9.367 1.00 1.00 C ATOM 11 O SER A 40 2.977 -5.199 -9.520 1.00 1.00 O ATOM 12 CB SER A 40 2.061 -6.034 -6.894 1.00 1.00 C ATOM 13 OG SER A 40 1.419 -4.792 -6.664 1.00 1.00 O ATOM 0 H SER A 40 3.158 -7.872 -8.901 1.00 1.00 H new ATOM 0 HA SER A 40 0.519 -6.841 -8.155 1.00 1.00 H new ATOM 0 HB2 SER A 40 1.851 -6.714 -6.069 1.00 1.00 H new ATOM 0 HB3 SER A 40 3.141 -5.889 -6.920 1.00 1.00 H new ATOM 0 HG SER A 40 1.734 -4.413 -5.817 1.00 1.00 H new ATOM 19 N CYS A 41 0.841 -5.462 -10.178 1.00 1.00 N ATOM 20 CA CYS A 41 0.968 -4.568 -11.323 1.00 1.00 C ATOM 21 C CYS A 41 -0.042 -3.428 -11.237 1.00 1.00 C ATOM 22 O CYS A 41 -1.086 -3.556 -10.598 1.00 1.00 O ATOM 23 CB CYS A 41 0.771 -5.343 -12.626 1.00 1.00 C ATOM 24 SG CYS A 41 -0.815 -6.204 -12.741 1.00 1.00 S ATOM 0 H CYS A 41 -0.086 -5.872 -10.064 1.00 1.00 H new ATOM 0 HA CYS A 41 1.971 -4.142 -11.311 1.00 1.00 H new ATOM 0 HB2 CYS A 41 0.858 -4.652 -13.464 1.00 1.00 H new ATOM 0 HB3 CYS A 41 1.576 -6.071 -12.728 1.00 1.00 H new ATOM 0 HG CYS A 41 -0.888 -6.828 -13.879 1.00 1.00 H new ATOM 30 N LYS A 42 0.277 -2.312 -11.884 1.00 1.00 N ATOM 31 CA LYS A 42 -0.601 -1.148 -11.883 1.00 1.00 C ATOM 32 C LYS A 42 -0.647 -0.500 -13.262 1.00 1.00 C ATOM 33 O LYS A 42 0.355 0.029 -13.743 1.00 1.00 O ATOM 34 CB LYS A 42 -0.130 -0.129 -10.843 1.00 1.00 C ATOM 35 CG LYS A 42 1.368 0.123 -10.874 1.00 1.00 C ATOM 36 CD LYS A 42 1.764 1.246 -9.931 1.00 1.00 C ATOM 37 CE LYS A 42 3.161 1.765 -10.238 1.00 1.00 C ATOM 38 NZ LYS A 42 3.597 2.798 -9.258 1.00 1.00 N ATOM 0 H LYS A 42 1.138 -2.189 -12.416 1.00 1.00 H new ATOM 0 HA LYS A 42 -1.606 -1.482 -11.625 1.00 1.00 H new ATOM 0 HB2 LYS A 42 -0.652 0.814 -11.008 1.00 1.00 H new ATOM 0 HB3 LYS A 42 -0.411 -0.480 -9.850 1.00 1.00 H new ATOM 0 HG2 LYS A 42 1.897 -0.789 -10.598 1.00 1.00 H new ATOM 0 HG3 LYS A 42 1.675 0.374 -11.889 1.00 1.00 H new ATOM 0 HD2 LYS A 42 1.046 2.062 -10.013 1.00 1.00 H new ATOM 0 HD3 LYS A 42 1.725 0.889 -8.902 1.00 1.00 H new ATOM 0 HE2 LYS A 42 3.867 0.935 -10.229 1.00 1.00 H new ATOM 0 HE3 LYS A 42 3.179 2.187 -11.243 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 4.553 3.126 -9.502 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 2.938 3.602 -9.285 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 3.605 2.388 -8.302 1.00 1.00 H new ATOM 52 N ILE A 43 -1.816 -0.543 -13.893 1.00 1.00 N ATOM 53 CA ILE A 43 -1.992 0.043 -15.216 1.00 1.00 C ATOM 54 C ILE A 43 -3.121 1.068 -15.217 1.00 1.00 C ATOM 55 O ILE A 43 -4.202 0.839 -14.676 1.00 1.00 O ATOM 56 CB ILE A 43 -2.292 -1.036 -16.273 1.00 1.00 C ATOM 57 CG1 ILE A 43 -1.155 -2.058 -16.328 1.00 1.00 C ATOM 58 CG2 ILE A 43 -2.503 -0.396 -17.637 1.00 1.00 C ATOM 59 CD1 ILE A 43 -1.192 -2.938 -17.558 1.00 1.00 C ATOM 0 H ILE A 43 -2.655 -0.978 -13.509 1.00 1.00 H new ATOM 0 HA ILE A 43 -1.055 0.538 -15.470 1.00 1.00 H new ATOM 0 HB ILE A 43 -3.208 -1.555 -15.991 1.00 1.00 H new ATOM 0 HG12 ILE A 43 -0.202 -1.531 -16.297 1.00 1.00 H new ATOM 0 HG13 ILE A 43 -1.200 -2.688 -15.439 1.00 1.00 H new ATOM 0 HG21 ILE A 43 -2.714 -1.171 -18.374 1.00 1.00 H new ATOM 0 HG22 ILE A 43 -3.343 0.297 -17.588 1.00 1.00 H new ATOM 0 HG23 ILE A 43 -1.603 0.146 -17.928 1.00 1.00 H new ATOM 0 HD11 ILE A 43 -0.357 -3.638 -17.530 1.00 1.00 H new ATOM 0 HD12 ILE A 43 -2.130 -3.493 -17.580 1.00 1.00 H new ATOM 0 HD13 ILE A 43 -1.116 -2.318 -18.451 1.00 1.00 H new ATOM 71 N PRO A 44 -2.866 2.227 -15.842 1.00 1.00 N ATOM 72 CA PRO A 44 -3.849 3.311 -15.932 1.00 1.00 C ATOM 73 C PRO A 44 -5.016 2.961 -16.848 1.00 1.00 C ATOM 74 O PRO A 44 -5.175 1.810 -17.254 1.00 1.00 O ATOM 75 CB PRO A 44 -3.042 4.474 -16.514 1.00 1.00 C ATOM 76 CG PRO A 44 -1.931 3.826 -17.265 1.00 1.00 C ATOM 77 CD PRO A 44 -1.599 2.569 -16.510 1.00 1.00 C ATOM 0 HA PRO A 44 -4.303 3.531 -14.966 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -3.655 5.092 -17.170 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -2.661 5.125 -15.727 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -2.232 3.599 -18.288 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -1.065 4.485 -17.326 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -1.270 1.774 -17.179 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -0.797 2.733 -15.790 1.00 1.00 H new ATOM 85 N SER A 45 -5.831 3.961 -17.170 1.00 1.00 N ATOM 86 CA SER A 45 -6.987 3.757 -18.035 1.00 1.00 C ATOM 87 C SER A 45 -6.796 4.464 -19.373 1.00 1.00 C ATOM 88 O SER A 45 -7.233 3.973 -20.415 1.00 1.00 O ATOM 89 CB SER A 45 -8.257 4.267 -17.352 1.00 1.00 C ATOM 90 OG SER A 45 -8.044 5.537 -16.762 1.00 1.00 O ATOM 0 H SER A 45 -5.712 4.920 -16.845 1.00 1.00 H new ATOM 0 HA SER A 45 -7.087 2.688 -18.221 1.00 1.00 H new ATOM 0 HB2 SER A 45 -9.065 4.332 -18.081 1.00 1.00 H new ATOM 0 HB3 SER A 45 -8.573 3.556 -16.588 1.00 1.00 H new ATOM 0 HG SER A 45 -8.871 5.842 -16.334 1.00 1.00 H new ATOM 96 N ILE A 46 -6.141 5.619 -19.336 1.00 1.00 N ATOM 97 CA ILE A 46 -5.891 6.394 -20.545 1.00 1.00 C ATOM 98 C ILE A 46 -4.890 5.689 -21.454 1.00 1.00 C ATOM 99 O ILE A 46 -4.724 6.057 -22.616 1.00 1.00 O ATOM 100 CB ILE A 46 -5.362 7.802 -20.213 1.00 1.00 C ATOM 101 CG1 ILE A 46 -6.360 8.550 -19.327 1.00 1.00 C ATOM 102 CG2 ILE A 46 -5.091 8.582 -21.490 1.00 1.00 C ATOM 103 CD1 ILE A 46 -5.792 9.804 -18.702 1.00 1.00 C ATOM 0 H ILE A 46 -5.774 6.039 -18.482 1.00 1.00 H new ATOM 0 HA ILE A 46 -6.846 6.486 -21.062 1.00 1.00 H new ATOM 0 HB ILE A 46 -4.424 7.701 -19.667 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -7.234 8.814 -19.922 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -6.702 7.883 -18.536 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -4.718 9.575 -21.238 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -4.347 8.055 -22.087 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -6.014 8.676 -22.062 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -6.555 10.282 -18.088 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -4.935 9.545 -18.080 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -5.476 10.491 -19.487 1.00 1.00 H new ATOM 115 N ALA A 47 -4.226 4.671 -20.916 1.00 1.00 N ATOM 116 CA ALA A 47 -3.244 3.910 -21.679 1.00 1.00 C ATOM 117 C ALA A 47 -3.834 2.594 -22.174 1.00 1.00 C ATOM 118 O ALA A 47 -3.242 1.912 -23.011 1.00 1.00 O ATOM 119 CB ALA A 47 -2.005 3.652 -20.834 1.00 1.00 C ATOM 0 H ALA A 47 -4.350 4.354 -19.954 1.00 1.00 H new ATOM 0 HA ALA A 47 -2.959 4.500 -22.550 1.00 1.00 H new ATOM 0 HB1 ALA A 47 -1.280 3.083 -21.416 1.00 1.00 H new ATOM 0 HB2 ALA A 47 -1.564 4.603 -20.535 1.00 1.00 H new ATOM 0 HB3 ALA A 47 -2.282 3.085 -19.945 1.00 1.00 H new ATOM 125 N THR A 48 -5.004 2.241 -21.650 1.00 1.00 N ATOM 126 CA THR A 48 -5.672 1.004 -22.037 1.00 1.00 C ATOM 127 C THR A 48 -6.034 1.015 -23.518 1.00 1.00 C ATOM 128 O THR A 48 -5.644 0.122 -24.269 1.00 1.00 O ATOM 129 CB THR A 48 -6.950 0.774 -21.209 1.00 1.00 C ATOM 130 OG1 THR A 48 -7.884 1.833 -21.446 1.00 1.00 O ATOM 131 CG2 THR A 48 -6.627 0.698 -19.724 1.00 1.00 C ATOM 0 H THR A 48 -5.508 2.794 -20.957 1.00 1.00 H new ATOM 0 HA THR A 48 -4.971 0.192 -21.843 1.00 1.00 H new ATOM 0 HB THR A 48 -7.390 -0.174 -21.517 1.00 1.00 H new ATOM 0 HG1 THR A 48 -7.833 2.484 -20.715 1.00 1.00 H new ATOM 0 HG21 THR A 48 -7.545 0.535 -19.160 1.00 1.00 H new ATOM 0 HG22 THR A 48 -5.939 -0.128 -19.543 1.00 1.00 H new ATOM 0 HG23 THR A 48 -6.165 1.632 -19.404 1.00 1.00 H new ATOM 139 N GLY A 49 -6.783 2.032 -23.932 1.00 1.00 N ATOM 140 CA GLY A 49 -7.185 2.140 -25.322 1.00 1.00 C ATOM 141 C GLY A 49 -6.021 1.965 -26.277 1.00 1.00 C ATOM 142 O GLY A 49 -6.144 1.289 -27.298 1.00 1.00 O ATOM 0 H GLY A 49 -7.119 2.783 -23.329 1.00 1.00 H new ATOM 0 HA2 GLY A 49 -7.944 1.388 -25.537 1.00 1.00 H new ATOM 0 HA3 GLY A 49 -7.645 3.114 -25.489 1.00 1.00 H new ATOM 146 N MET A 50 -4.890 2.579 -25.947 1.00 1.00 N ATOM 147 CA MET A 50 -3.699 2.487 -26.784 1.00 1.00 C ATOM 148 C MET A 50 -3.218 1.044 -26.890 1.00 1.00 C ATOM 149 O MET A 50 -2.910 0.560 -27.979 1.00 1.00 O ATOM 150 CB MET A 50 -2.583 3.368 -26.219 1.00 1.00 C ATOM 151 CG MET A 50 -2.716 4.835 -26.597 1.00 1.00 C ATOM 152 SD MET A 50 -2.019 5.200 -28.219 1.00 1.00 S ATOM 153 CE MET A 50 -3.477 5.071 -29.251 1.00 1.00 C ATOM 0 H MET A 50 -4.773 3.145 -25.107 1.00 1.00 H new ATOM 0 HA MET A 50 -3.960 2.838 -27.782 1.00 1.00 H new ATOM 0 HB2 MET A 50 -2.577 3.280 -25.133 1.00 1.00 H new ATOM 0 HB3 MET A 50 -1.622 2.995 -26.574 1.00 1.00 H new ATOM 0 HG2 MET A 50 -3.769 5.115 -26.587 1.00 1.00 H new ATOM 0 HG3 MET A 50 -2.217 5.447 -25.845 1.00 1.00 H new ATOM 0 HE1 MET A 50 -3.436 5.827 -30.035 1.00 1.00 H new ATOM 0 HE2 MET A 50 -3.516 4.080 -29.704 1.00 1.00 H new ATOM 0 HE3 MET A 50 -4.368 5.227 -28.643 1.00 1.00 H new ATOM 163 N VAL A 51 -3.157 0.360 -25.751 1.00 1.00 N ATOM 164 CA VAL A 51 -2.713 -1.028 -25.716 1.00 1.00 C ATOM 165 C VAL A 51 -3.564 -1.900 -26.632 1.00 1.00 C ATOM 166 O VAL A 51 -3.050 -2.547 -27.544 1.00 1.00 O ATOM 167 CB VAL A 51 -2.767 -1.599 -24.287 1.00 1.00 C ATOM 168 CG1 VAL A 51 -2.164 -2.995 -24.245 1.00 1.00 C ATOM 169 CG2 VAL A 51 -2.053 -0.671 -23.315 1.00 1.00 C ATOM 0 H VAL A 51 -3.410 0.745 -24.841 1.00 1.00 H new ATOM 0 HA VAL A 51 -1.680 -1.039 -26.065 1.00 1.00 H new ATOM 0 HB VAL A 51 -3.811 -1.672 -23.984 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -2.211 -3.381 -23.227 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -2.724 -3.653 -24.909 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -1.124 -2.952 -24.569 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -2.101 -1.090 -22.310 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -1.010 -0.564 -23.614 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -2.536 0.306 -23.324 1.00 1.00 H new ATOM 179 N GLY A 52 -4.870 -1.913 -26.384 1.00 1.00 N ATOM 180 CA GLY A 52 -5.773 -2.707 -27.196 1.00 1.00 C ATOM 181 C GLY A 52 -5.574 -2.474 -28.681 1.00 1.00 C ATOM 182 O GLY A 52 -5.562 -3.420 -29.468 1.00 1.00 O ATOM 0 H GLY A 52 -5.319 -1.387 -25.634 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -5.623 -3.763 -26.974 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -6.802 -2.468 -26.929 1.00 1.00 H new ATOM 186 N ALA A 53 -5.418 -1.211 -29.064 1.00 1.00 N ATOM 187 CA ALA A 53 -5.218 -0.857 -30.464 1.00 1.00 C ATOM 188 C ALA A 53 -3.828 -1.264 -30.940 1.00 1.00 C ATOM 189 O ALA A 53 -3.644 -1.647 -32.096 1.00 1.00 O ATOM 190 CB ALA A 53 -5.432 0.636 -30.666 1.00 1.00 C ATOM 0 H ALA A 53 -5.426 -0.416 -28.425 1.00 1.00 H new ATOM 0 HA ALA A 53 -5.951 -1.402 -31.060 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -5.280 0.887 -31.716 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -6.448 0.901 -30.374 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -4.722 1.192 -30.053 1.00 1.00 H new ATOM 196 N LEU A 54 -2.852 -1.179 -30.043 1.00 1.00 N ATOM 197 CA LEU A 54 -1.477 -1.537 -30.372 1.00 1.00 C ATOM 198 C LEU A 54 -1.388 -2.990 -30.829 1.00 1.00 C ATOM 199 O LEU A 54 -0.782 -3.292 -31.858 1.00 1.00 O ATOM 200 CB LEU A 54 -0.568 -1.315 -29.162 1.00 1.00 C ATOM 201 CG LEU A 54 0.069 0.071 -29.046 1.00 1.00 C ATOM 202 CD1 LEU A 54 0.841 0.196 -27.742 1.00 1.00 C ATOM 203 CD2 LEU A 54 0.979 0.340 -30.235 1.00 1.00 C ATOM 0 H LEU A 54 -2.987 -0.865 -29.082 1.00 1.00 H new ATOM 0 HA LEU A 54 -1.146 -0.897 -31.190 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -1.147 -1.503 -28.258 1.00 1.00 H new ATOM 0 HB3 LEU A 54 0.229 -2.058 -29.190 1.00 1.00 H new ATOM 0 HG LEU A 54 -0.726 0.817 -29.046 1.00 1.00 H new ATOM 0 HD11 LEU A 54 1.287 1.188 -27.677 1.00 1.00 H new ATOM 0 HD12 LEU A 54 0.163 0.047 -26.902 1.00 1.00 H new ATOM 0 HD13 LEU A 54 1.627 -0.558 -27.711 1.00 1.00 H new ATOM 0 HD21 LEU A 54 1.424 1.330 -30.136 1.00 1.00 H new ATOM 0 HD22 LEU A 54 1.769 -0.411 -30.266 1.00 1.00 H new ATOM 0 HD23 LEU A 54 0.398 0.294 -31.156 1.00 1.00 H new ATOM 215 N LEU A 55 -1.996 -3.885 -30.060 1.00 1.00 N ATOM 216 CA LEU A 55 -1.988 -5.307 -30.387 1.00 1.00 C ATOM 217 C LEU A 55 -2.807 -5.581 -31.645 1.00 1.00 C ATOM 218 O LEU A 55 -2.350 -6.269 -32.558 1.00 1.00 O ATOM 219 CB LEU A 55 -2.541 -6.123 -29.217 1.00 1.00 C ATOM 220 CG LEU A 55 -2.135 -5.653 -27.820 1.00 1.00 C ATOM 221 CD1 LEU A 55 -2.480 -6.708 -26.780 1.00 1.00 C ATOM 222 CD2 LEU A 55 -0.650 -5.325 -27.778 1.00 1.00 C ATOM 0 H LEU A 55 -2.501 -3.652 -29.205 1.00 1.00 H new ATOM 0 HA LEU A 55 -0.957 -5.606 -30.575 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -3.629 -6.117 -29.278 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -2.220 -7.158 -29.338 1.00 1.00 H new ATOM 0 HG LEU A 55 -2.693 -4.746 -27.586 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -2.184 -6.356 -25.792 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -3.554 -6.893 -26.792 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -1.950 -7.632 -27.010 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -0.379 -4.992 -26.776 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -0.074 -6.214 -28.033 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -0.432 -4.533 -28.495 1.00 1.00 H new ATOM 234 N LEU A 56 -4.018 -5.036 -31.686 1.00 1.00 N ATOM 235 CA LEU A 56 -4.901 -5.219 -32.833 1.00 1.00 C ATOM 236 C LEU A 56 -4.180 -4.883 -34.134 1.00 1.00 C ATOM 237 O LEU A 56 -4.059 -5.726 -35.025 1.00 1.00 O ATOM 238 CB LEU A 56 -6.147 -4.345 -32.687 1.00 1.00 C ATOM 239 CG LEU A 56 -7.428 -4.891 -33.319 1.00 1.00 C ATOM 240 CD1 LEU A 56 -8.093 -5.898 -32.394 1.00 1.00 C ATOM 241 CD2 LEU A 56 -8.385 -3.755 -33.651 1.00 1.00 C ATOM 0 H LEU A 56 -4.411 -4.464 -30.938 1.00 1.00 H new ATOM 0 HA LEU A 56 -5.201 -6.266 -32.865 1.00 1.00 H new ATOM 0 HB2 LEU A 56 -6.330 -4.183 -31.625 1.00 1.00 H new ATOM 0 HB3 LEU A 56 -5.936 -3.370 -33.126 1.00 1.00 H new ATOM 0 HG LEU A 56 -7.164 -5.400 -34.246 1.00 1.00 H new ATOM 0 HD11 LEU A 56 -9.003 -6.275 -32.861 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -7.410 -6.727 -32.207 1.00 1.00 H new ATOM 0 HD13 LEU A 56 -8.343 -5.415 -31.450 1.00 1.00 H new ATOM 0 HD21 LEU A 56 -9.291 -4.162 -34.100 1.00 1.00 H new ATOM 0 HD22 LEU A 56 -8.642 -3.217 -32.738 1.00 1.00 H new ATOM 0 HD23 LEU A 56 -7.908 -3.071 -34.353 1.00 1.00 H new ATOM 253 N LEU A 57 -3.700 -3.649 -34.237 1.00 1.00 N ATOM 254 CA LEU A 57 -2.988 -3.202 -35.429 1.00 1.00 C ATOM 255 C LEU A 57 -1.814 -4.124 -35.741 1.00 1.00 C ATOM 256 O LEU A 57 -1.591 -4.495 -36.894 1.00 1.00 O ATOM 257 CB LEU A 57 -2.489 -1.768 -35.241 1.00 1.00 C ATOM 258 CG LEU A 57 -3.568 -0.693 -35.109 1.00 1.00 C ATOM 259 CD1 LEU A 57 -2.938 0.687 -35.008 1.00 1.00 C ATOM 260 CD2 LEU A 57 -4.532 -0.757 -36.284 1.00 1.00 C ATOM 0 H LEU A 57 -3.791 -2.940 -33.509 1.00 1.00 H new ATOM 0 HA LEU A 57 -3.682 -3.232 -36.269 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -1.862 -1.737 -34.350 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -1.852 -1.513 -36.088 1.00 1.00 H new ATOM 0 HG LEU A 57 -4.130 -0.881 -34.194 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -3.722 1.439 -34.915 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -2.290 0.728 -34.133 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -2.350 0.885 -35.904 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -5.293 0.015 -36.173 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -3.985 -0.596 -37.213 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -5.010 -1.736 -36.309 1.00 1.00 H new ATOM 272 N LEU A 58 -1.068 -4.494 -34.705 1.00 1.00 N ATOM 273 CA LEU A 58 0.084 -5.374 -34.868 1.00 1.00 C ATOM 274 C LEU A 58 -0.315 -6.668 -35.570 1.00 1.00 C ATOM 275 O LEU A 58 0.311 -7.073 -36.550 1.00 1.00 O ATOM 276 CB LEU A 58 0.705 -5.690 -33.506 1.00 1.00 C ATOM 277 CG LEU A 58 1.800 -4.735 -33.030 1.00 1.00 C ATOM 278 CD1 LEU A 58 2.193 -5.046 -31.594 1.00 1.00 C ATOM 279 CD2 LEU A 58 3.012 -4.814 -33.946 1.00 1.00 C ATOM 0 H LEU A 58 -1.240 -4.198 -33.744 1.00 1.00 H new ATOM 0 HA LEU A 58 0.820 -4.859 -35.486 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -0.090 -5.700 -32.760 1.00 1.00 H new ATOM 0 HB3 LEU A 58 1.120 -6.697 -33.543 1.00 1.00 H new ATOM 0 HG LEU A 58 1.409 -3.718 -33.065 1.00 1.00 H new ATOM 0 HD11 LEU A 58 2.973 -4.356 -31.273 1.00 1.00 H new ATOM 0 HD12 LEU A 58 1.323 -4.936 -30.947 1.00 1.00 H new ATOM 0 HD13 LEU A 58 2.565 -6.069 -31.532 1.00 1.00 H new ATOM 0 HD21 LEU A 58 3.781 -4.128 -33.592 1.00 1.00 H new ATOM 0 HD22 LEU A 58 3.404 -5.831 -33.944 1.00 1.00 H new ATOM 0 HD23 LEU A 58 2.720 -4.540 -34.960 1.00 1.00 H new ATOM 291 N VAL A 59 -1.361 -7.313 -35.064 1.00 1.00 N ATOM 292 CA VAL A 59 -1.846 -8.559 -35.644 1.00 1.00 C ATOM 293 C VAL A 59 -2.408 -8.333 -37.043 1.00 1.00 C ATOM 294 O VAL A 59 -2.087 -9.065 -37.979 1.00 1.00 O ATOM 295 CB VAL A 59 -2.934 -9.203 -34.764 1.00 1.00 C ATOM 296 CG1 VAL A 59 -3.275 -10.596 -35.269 1.00 1.00 C ATOM 297 CG2 VAL A 59 -2.485 -9.249 -33.311 1.00 1.00 C ATOM 0 H VAL A 59 -1.889 -6.992 -34.252 1.00 1.00 H new ATOM 0 HA VAL A 59 -0.991 -9.233 -35.703 1.00 1.00 H new ATOM 0 HB VAL A 59 -3.834 -8.591 -34.824 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -4.045 -11.035 -34.635 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -3.642 -10.532 -36.293 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -2.383 -11.222 -35.241 1.00 1.00 H new ATOM 0 HG21 VAL A 59 -3.265 -9.707 -32.703 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -1.571 -9.837 -33.231 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -2.297 -8.236 -32.956 1.00 1.00 H new ATOM 307 N VAL A 60 -3.249 -7.312 -37.179 1.00 1.00 N ATOM 308 CA VAL A 60 -3.854 -6.987 -38.464 1.00 1.00 C ATOM 309 C VAL A 60 -2.791 -6.796 -39.540 1.00 1.00 C ATOM 310 O VAL A 60 -2.805 -7.473 -40.567 1.00 1.00 O ATOM 311 CB VAL A 60 -4.712 -5.711 -38.374 1.00 1.00 C ATOM 312 CG1 VAL A 60 -5.300 -5.365 -39.733 1.00 1.00 C ATOM 313 CG2 VAL A 60 -5.811 -5.880 -37.336 1.00 1.00 C ATOM 0 H VAL A 60 -3.526 -6.696 -36.414 1.00 1.00 H new ATOM 0 HA VAL A 60 -4.493 -7.828 -38.734 1.00 1.00 H new ATOM 0 HB VAL A 60 -4.072 -4.886 -38.061 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -5.903 -4.461 -39.649 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -4.493 -5.198 -40.447 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -5.926 -6.188 -40.079 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -6.407 -4.969 -37.286 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -6.450 -6.717 -37.616 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -5.364 -6.075 -36.361 1.00 1.00 H new ATOM 323 N ALA A 61 -1.870 -5.869 -39.296 1.00 1.00 N ATOM 324 CA ALA A 61 -0.796 -5.592 -40.242 1.00 1.00 C ATOM 325 C ALA A 61 0.087 -6.819 -40.445 1.00 1.00 C ATOM 326 O ALA A 61 0.608 -7.048 -41.537 1.00 1.00 O ATOM 327 CB ALA A 61 0.037 -4.412 -39.764 1.00 1.00 C ATOM 0 H ALA A 61 -1.846 -5.297 -38.452 1.00 1.00 H new ATOM 0 HA ALA A 61 -1.247 -5.339 -41.202 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.835 -4.216 -40.480 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -0.597 -3.530 -39.678 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.471 -4.643 -38.791 1.00 1.00 H new ATOM 333 N LEU A 62 0.252 -7.604 -39.386 1.00 1.00 N ATOM 334 CA LEU A 62 1.073 -8.809 -39.448 1.00 1.00 C ATOM 335 C LEU A 62 0.466 -9.832 -40.402 1.00 1.00 C ATOM 336 O LEU A 62 1.088 -10.220 -41.390 1.00 1.00 O ATOM 337 CB LEU A 62 1.222 -9.420 -38.053 1.00 1.00 C ATOM 338 CG LEU A 62 2.416 -8.934 -37.231 1.00 1.00 C ATOM 339 CD1 LEU A 62 2.257 -9.331 -35.772 1.00 1.00 C ATOM 340 CD2 LEU A 62 3.715 -9.487 -37.798 1.00 1.00 C ATOM 0 H LEU A 62 -0.171 -7.428 -38.475 1.00 1.00 H new ATOM 0 HA LEU A 62 2.058 -8.530 -39.823 1.00 1.00 H new ATOM 0 HB2 LEU A 62 0.311 -9.216 -37.490 1.00 1.00 H new ATOM 0 HB3 LEU A 62 1.296 -10.502 -38.158 1.00 1.00 H new ATOM 0 HG LEU A 62 2.453 -7.846 -37.288 1.00 1.00 H new ATOM 0 HD11 LEU A 62 3.116 -8.977 -35.203 1.00 1.00 H new ATOM 0 HD12 LEU A 62 1.347 -8.885 -35.371 1.00 1.00 H new ATOM 0 HD13 LEU A 62 2.194 -10.416 -35.695 1.00 1.00 H new ATOM 0 HD21 LEU A 62 4.554 -9.130 -37.200 1.00 1.00 H new ATOM 0 HD22 LEU A 62 3.688 -10.576 -37.773 1.00 1.00 H new ATOM 0 HD23 LEU A 62 3.835 -9.151 -38.828 1.00 1.00 H new ATOM 352 N GLY A 63 -0.754 -10.265 -40.100 1.00 1.00 N ATOM 353 CA GLY A 63 -1.426 -11.239 -40.941 1.00 1.00 C ATOM 354 C GLY A 63 -1.455 -10.823 -42.398 1.00 1.00 C ATOM 355 O GLY A 63 -1.133 -11.616 -43.284 1.00 1.00 O ATOM 0 H GLY A 63 -1.289 -9.959 -39.288 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -0.922 -12.202 -40.851 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -2.447 -11.379 -40.586 1.00 1.00 H new ATOM 359 N ILE A 64 -1.843 -9.577 -42.649 1.00 1.00 N ATOM 360 CA ILE A 64 -1.915 -9.059 -44.009 1.00 1.00 C ATOM 361 C ILE A 64 -0.527 -8.957 -44.633 1.00 1.00 C ATOM 362 O ILE A 64 -0.333 -9.295 -45.800 1.00 1.00 O ATOM 363 CB ILE A 64 -2.586 -7.673 -44.049 1.00 1.00 C ATOM 364 CG1 ILE A 64 -3.996 -7.748 -43.460 1.00 1.00 C ATOM 365 CG2 ILE A 64 -2.630 -7.146 -45.475 1.00 1.00 C ATOM 366 CD1 ILE A 64 -4.649 -6.396 -43.281 1.00 1.00 C ATOM 0 H ILE A 64 -2.112 -8.908 -41.928 1.00 1.00 H new ATOM 0 HA ILE A 64 -2.518 -9.763 -44.583 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.996 -6.983 -43.446 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -4.620 -8.361 -44.110 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.951 -8.251 -42.494 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -3.107 -6.166 -45.486 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -1.615 -7.060 -45.863 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -3.200 -7.834 -46.100 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.646 -6.526 -42.859 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -4.047 -5.787 -42.607 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.726 -5.898 -44.248 1.00 1.00 H new ATOM 378 N GLY A 65 0.437 -8.489 -43.845 1.00 1.00 N ATOM 379 CA GLY A 65 1.795 -8.353 -44.337 1.00 1.00 C ATOM 380 C GLY A 65 2.406 -9.683 -44.732 1.00 1.00 C ATOM 381 O GLY A 65 2.965 -9.819 -45.821 1.00 1.00 O ATOM 0 H GLY A 65 0.301 -8.202 -42.876 1.00 1.00 H new ATOM 0 HA2 GLY A 65 1.801 -7.684 -45.198 1.00 1.00 H new ATOM 0 HA3 GLY A 65 2.412 -7.888 -43.568 1.00 1.00 H new ATOM 385 N LEU A 66 2.301 -10.666 -43.845 1.00 1.00 N ATOM 386 CA LEU A 66 2.848 -11.993 -44.106 1.00 1.00 C ATOM 387 C LEU A 66 2.138 -12.654 -45.283 1.00 1.00 C ATOM 388 O LEU A 66 2.735 -13.434 -46.024 1.00 1.00 O ATOM 389 CB LEU A 66 2.722 -12.872 -42.861 1.00 1.00 C ATOM 390 CG LEU A 66 3.744 -12.616 -41.752 1.00 1.00 C ATOM 391 CD1 LEU A 66 3.350 -13.353 -40.482 1.00 1.00 C ATOM 392 CD2 LEU A 66 5.136 -13.034 -42.203 1.00 1.00 C ATOM 0 H LEU A 66 1.842 -10.570 -42.939 1.00 1.00 H new ATOM 0 HA LEU A 66 3.902 -11.880 -44.359 1.00 1.00 H new ATOM 0 HB2 LEU A 66 1.723 -12.738 -42.445 1.00 1.00 H new ATOM 0 HB3 LEU A 66 2.802 -13.915 -43.167 1.00 1.00 H new ATOM 0 HG LEU A 66 3.758 -11.547 -41.538 1.00 1.00 H new ATOM 0 HD11 LEU A 66 4.089 -13.159 -39.705 1.00 1.00 H new ATOM 0 HD12 LEU A 66 2.372 -13.006 -40.148 1.00 1.00 H new ATOM 0 HD13 LEU A 66 3.306 -14.424 -40.681 1.00 1.00 H new ATOM 0 HD21 LEU A 66 5.850 -12.845 -41.402 1.00 1.00 H new ATOM 0 HD22 LEU A 66 5.136 -14.097 -42.446 1.00 1.00 H new ATOM 0 HD23 LEU A 66 5.420 -12.460 -43.085 1.00 1.00 H new ATOM 404 N PHE A 67 0.859 -12.334 -45.450 1.00 1.00 N ATOM 405 CA PHE A 67 0.066 -12.896 -46.537 1.00 1.00 C ATOM 406 C PHE A 67 0.436 -12.252 -47.870 1.00 1.00 C ATOM 407 O PHE A 67 0.636 -12.941 -48.870 1.00 1.00 O ATOM 408 CB PHE A 67 -1.427 -12.703 -46.261 1.00 1.00 C ATOM 409 CG PHE A 67 -2.300 -13.707 -46.957 1.00 1.00 C ATOM 410 CD1 PHE A 67 -2.287 -15.039 -46.574 1.00 1.00 C ATOM 411 CD2 PHE A 67 -3.135 -13.320 -47.992 1.00 1.00 C ATOM 412 CE1 PHE A 67 -3.089 -15.966 -47.213 1.00 1.00 C ATOM 413 CE2 PHE A 67 -3.940 -14.242 -48.634 1.00 1.00 C ATOM 414 CZ PHE A 67 -3.918 -15.566 -48.244 1.00 1.00 C ATOM 0 H PHE A 67 0.350 -11.688 -44.846 1.00 1.00 H new ATOM 0 HA PHE A 67 0.282 -13.963 -46.597 1.00 1.00 H new ATOM 0 HB2 PHE A 67 -1.601 -12.765 -45.187 1.00 1.00 H new ATOM 0 HB3 PHE A 67 -1.719 -11.701 -46.574 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -1.643 -15.356 -45.767 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -3.157 -12.285 -48.301 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -3.068 -17.002 -46.907 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -4.586 -13.927 -49.440 1.00 1.00 H new ATOM 0 HZ PHE A 67 -4.547 -16.288 -48.743 1.00 1.00 H new ATOM 424 N MET A 68 0.524 -10.926 -47.875 1.00 1.00 N ATOM 425 CA MET A 68 0.869 -10.189 -49.085 1.00 1.00 C ATOM 426 C MET A 68 2.341 -10.380 -49.437 1.00 1.00 C ATOM 427 O MET A 68 2.783 -10.003 -50.522 1.00 1.00 O ATOM 428 CB MET A 68 0.565 -8.700 -48.905 1.00 1.00 C ATOM 429 CG MET A 68 -0.873 -8.418 -48.501 1.00 1.00 C ATOM 430 SD MET A 68 -1.968 -8.228 -49.920 1.00 1.00 S ATOM 431 CE MET A 68 -3.469 -8.977 -49.292 1.00 1.00 C ATOM 0 H MET A 68 0.361 -10.340 -47.056 1.00 1.00 H new ATOM 0 HA MET A 68 0.264 -10.580 -49.903 1.00 1.00 H new ATOM 0 HB2 MET A 68 1.234 -8.290 -48.148 1.00 1.00 H new ATOM 0 HB3 MET A 68 0.781 -8.178 -49.837 1.00 1.00 H new ATOM 0 HG2 MET A 68 -1.236 -9.232 -47.873 1.00 1.00 H new ATOM 0 HG3 MET A 68 -0.906 -7.511 -47.898 1.00 1.00 H new ATOM 0 HE1 MET A 68 -4.244 -8.936 -50.058 1.00 1.00 H new ATOM 0 HE2 MET A 68 -3.274 -10.016 -49.028 1.00 1.00 H new ATOM 0 HE3 MET A 68 -3.804 -8.435 -48.408 1.00 1.00 H new ATOM 441 N ARG A 69 3.094 -10.968 -48.513 1.00 1.00 N ATOM 442 CA ARG A 69 4.517 -11.206 -48.726 1.00 1.00 C ATOM 443 C ARG A 69 4.739 -12.464 -49.560 1.00 1.00 C ATOM 444 O ARG A 69 5.862 -12.762 -49.966 1.00 1.00 O ATOM 445 CB ARG A 69 5.240 -11.337 -47.384 1.00 1.00 C ATOM 446 CG ARG A 69 5.734 -10.012 -46.827 1.00 1.00 C ATOM 447 CD ARG A 69 6.175 -10.147 -45.378 1.00 1.00 C ATOM 448 NE ARG A 69 7.401 -10.929 -45.249 1.00 1.00 N ATOM 449 CZ ARG A 69 8.147 -10.951 -44.150 1.00 1.00 C ATOM 450 NH1 ARG A 69 7.792 -10.238 -43.089 1.00 1.00 N ATOM 451 NH2 ARG A 69 9.250 -11.687 -44.109 1.00 1.00 N ATOM 0 H ARG A 69 2.743 -11.288 -47.610 1.00 1.00 H new ATOM 0 HA ARG A 69 4.925 -10.354 -49.270 1.00 1.00 H new ATOM 0 HB2 ARG A 69 4.566 -11.797 -46.661 1.00 1.00 H new ATOM 0 HB3 ARG A 69 6.089 -12.011 -47.502 1.00 1.00 H new ATOM 0 HG2 ARG A 69 6.567 -9.650 -47.430 1.00 1.00 H new ATOM 0 HG3 ARG A 69 4.941 -9.267 -46.899 1.00 1.00 H new ATOM 0 HD2 ARG A 69 6.331 -9.156 -44.953 1.00 1.00 H new ATOM 0 HD3 ARG A 69 5.381 -10.620 -44.800 1.00 1.00 H new ATOM 0 HE ARG A 69 7.701 -11.489 -46.047 1.00 1.00 H new ATOM 0 HH11 ARG A 69 6.944 -9.671 -43.116 1.00 1.00 H new ATOM 0 HH12 ARG A 69 8.367 -10.257 -42.246 1.00 1.00 H new ATOM 0 HH21 ARG A 69 9.527 -12.237 -44.922 1.00 1.00 H new ATOM 0 HH22 ARG A 69 9.822 -11.703 -43.264 1.00 1.00 H new ATOM 465 N ARG A 70 3.660 -13.199 -49.811 1.00 1.00 N ATOM 466 CA ARG A 70 3.737 -14.427 -50.594 1.00 1.00 C ATOM 467 C ARG A 70 3.872 -14.115 -52.082 1.00 1.00 C ATOM 468 O ARG A 70 4.620 -14.779 -52.800 1.00 1.00 O ATOM 469 CB ARG A 70 2.498 -15.290 -50.353 1.00 1.00 C ATOM 470 CG ARG A 70 2.176 -15.496 -48.882 1.00 1.00 C ATOM 471 CD ARG A 70 3.176 -16.429 -48.218 1.00 1.00 C ATOM 472 NE ARG A 70 2.590 -17.148 -47.090 1.00 1.00 N ATOM 473 CZ ARG A 70 3.298 -17.878 -46.236 1.00 1.00 C ATOM 474 NH1 ARG A 70 4.611 -17.986 -46.380 1.00 1.00 N ATOM 475 NH2 ARG A 70 2.692 -18.502 -45.234 1.00 1.00 N ATOM 0 H ARG A 70 2.723 -12.966 -49.484 1.00 1.00 H new ATOM 0 HA ARG A 70 4.622 -14.977 -50.274 1.00 1.00 H new ATOM 0 HB2 ARG A 70 1.642 -14.826 -50.842 1.00 1.00 H new ATOM 0 HB3 ARG A 70 2.646 -16.262 -50.824 1.00 1.00 H new ATOM 0 HG2 ARG A 70 2.179 -14.534 -48.370 1.00 1.00 H new ATOM 0 HG3 ARG A 70 1.171 -15.907 -48.782 1.00 1.00 H new ATOM 0 HD2 ARG A 70 3.545 -17.145 -48.952 1.00 1.00 H new ATOM 0 HD3 ARG A 70 4.035 -15.853 -47.874 1.00 1.00 H new ATOM 0 HE ARG A 70 1.581 -17.086 -46.950 1.00 1.00 H new ATOM 0 HH11 ARG A 70 5.081 -17.508 -47.149 1.00 1.00 H new ATOM 0 HH12 ARG A 70 5.152 -18.548 -45.722 1.00 1.00 H new ATOM 0 HH21 ARG A 70 1.682 -18.421 -45.119 1.00 1.00 H new ATOM 0 HH22 ARG A 70 3.236 -19.063 -44.578 1.00 1.00 H new ATOM 489 N ARG A 71 3.141 -13.103 -52.537 1.00 1.00 N ATOM 490 CA ARG A 71 3.177 -12.705 -53.940 1.00 1.00 C ATOM 491 C ARG A 71 4.140 -11.540 -54.150 1.00 1.00 C ATOM 492 O ARG A 71 4.685 -11.360 -55.239 1.00 1.00 O ATOM 493 CB ARG A 71 1.777 -12.316 -54.417 1.00 1.00 C ATOM 494 CG ARG A 71 0.984 -13.479 -54.991 1.00 1.00 C ATOM 495 CD ARG A 71 -0.460 -13.458 -54.516 1.00 1.00 C ATOM 496 NE ARG A 71 -1.397 -13.739 -55.600 1.00 1.00 N ATOM 497 CZ ARG A 71 -1.623 -12.907 -56.611 1.00 1.00 C ATOM 498 NH1 ARG A 71 -0.982 -11.748 -56.676 1.00 1.00 N ATOM 499 NH2 ARG A 71 -2.491 -13.234 -57.560 1.00 1.00 N ATOM 0 H ARG A 71 2.517 -12.544 -51.955 1.00 1.00 H new ATOM 0 HA ARG A 71 3.530 -13.555 -54.524 1.00 1.00 H new ATOM 0 HB2 ARG A 71 1.224 -11.887 -53.581 1.00 1.00 H new ATOM 0 HB3 ARG A 71 1.864 -11.537 -55.175 1.00 1.00 H new ATOM 0 HG2 ARG A 71 1.010 -13.436 -56.080 1.00 1.00 H new ATOM 0 HG3 ARG A 71 1.451 -14.419 -54.697 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -0.592 -14.194 -53.723 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -0.686 -12.482 -54.085 1.00 1.00 H new ATOM 0 HE ARG A 71 -1.906 -14.623 -55.580 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -0.314 -11.493 -55.949 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -1.157 -11.111 -57.453 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -2.986 -14.125 -57.514 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -2.664 -12.594 -58.336 1.00 1.00 H new ATOM 513 N HIS A 72 4.344 -10.751 -53.100 1.00 1.00 N ATOM 514 CA HIS A 72 5.241 -9.603 -53.169 1.00 1.00 C ATOM 515 C HIS A 72 6.675 -10.049 -53.438 1.00 1.00 C ATOM 516 O HIS A 72 7.527 -9.242 -53.809 1.00 1.00 O ATOM 517 CB HIS A 72 5.180 -8.802 -51.869 1.00 1.00 C ATOM 518 CG HIS A 72 4.146 -7.718 -51.881 1.00 1.00 C ATOM 519 ND1 HIS A 72 4.071 -6.739 -50.913 1.00 1.00 N ATOM 520 CD2 HIS A 72 3.143 -7.460 -52.753 1.00 1.00 C ATOM 521 CE1 HIS A 72 3.065 -5.928 -51.187 1.00 1.00 C ATOM 522 NE2 HIS A 72 2.486 -6.343 -52.300 1.00 1.00 N ATOM 0 H HIS A 72 3.900 -10.886 -52.191 1.00 1.00 H new ATOM 0 HA HIS A 72 4.915 -8.969 -53.993 1.00 1.00 H new ATOM 0 HB2 HIS A 72 4.972 -9.482 -51.043 1.00 1.00 H new ATOM 0 HB3 HIS A 72 6.157 -8.358 -51.679 1.00 1.00 H new ATOM 0 HD2 HIS A 72 2.904 -8.028 -53.640 1.00 1.00 H new ATOM 0 HE1 HIS A 72 2.766 -5.071 -50.601 1.00 1.00 H new ATOM 0 HE2 HIS A 72 1.682 -5.905 -52.749 1.00 1.00 H new ATOM 530 N ILE A 73 6.933 -11.339 -53.249 1.00 1.00 N ATOM 531 CA ILE A 73 8.263 -11.892 -53.472 1.00 1.00 C ATOM 532 C ILE A 73 8.817 -11.463 -54.826 1.00 1.00 C ATOM 533 O ILE A 73 10.029 -11.327 -54.999 1.00 1.00 O ATOM 534 CB ILE A 73 8.253 -13.430 -53.398 1.00 1.00 C ATOM 535 CG1 ILE A 73 7.756 -13.893 -52.027 1.00 1.00 C ATOM 536 CG2 ILE A 73 9.643 -13.983 -53.678 1.00 1.00 C ATOM 537 CD1 ILE A 73 8.547 -13.320 -50.872 1.00 1.00 C ATOM 0 H ILE A 73 6.239 -12.020 -52.942 1.00 1.00 H new ATOM 0 HA ILE A 73 8.903 -11.503 -52.680 1.00 1.00 H new ATOM 0 HB ILE A 73 7.572 -13.811 -54.159 1.00 1.00 H new ATOM 0 HG12 ILE A 73 6.709 -13.611 -51.915 1.00 1.00 H new ATOM 0 HG13 ILE A 73 7.800 -14.981 -51.982 1.00 1.00 H new ATOM 0 HG21 ILE A 73 9.620 -15.071 -53.622 1.00 1.00 H new ATOM 0 HG22 ILE A 73 9.962 -13.678 -54.674 1.00 1.00 H new ATOM 0 HG23 ILE A 73 10.344 -13.597 -52.938 1.00 1.00 H new ATOM 0 HD11 ILE A 73 8.139 -13.691 -49.932 1.00 1.00 H new ATOM 0 HD12 ILE A 73 9.590 -13.623 -50.960 1.00 1.00 H new ATOM 0 HD13 ILE A 73 8.483 -12.232 -50.891 1.00 1.00 H new ATOM 549 N VAL A 74 7.922 -11.249 -55.785 1.00 1.00 N ATOM 550 CA VAL A 74 8.321 -10.833 -57.124 1.00 1.00 C ATOM 551 C VAL A 74 9.035 -9.487 -57.092 1.00 1.00 C ATOM 552 O VAL A 74 8.872 -8.709 -56.152 1.00 1.00 O ATOM 553 CB VAL A 74 7.106 -10.735 -58.067 1.00 1.00 C ATOM 554 CG1 VAL A 74 7.561 -10.577 -59.509 1.00 1.00 C ATOM 555 CG2 VAL A 74 6.212 -11.956 -57.912 1.00 1.00 C ATOM 0 H VAL A 74 6.916 -11.357 -55.659 1.00 1.00 H new ATOM 0 HA VAL A 74 9.004 -11.594 -57.501 1.00 1.00 H new ATOM 0 HB VAL A 74 6.527 -9.852 -57.795 1.00 1.00 H new ATOM 0 HG11 VAL A 74 6.690 -10.509 -60.160 1.00 1.00 H new ATOM 0 HG12 VAL A 74 8.157 -9.669 -59.605 1.00 1.00 H new ATOM 0 HG13 VAL A 74 8.163 -11.439 -59.797 1.00 1.00 H new ATOM 0 HG21 VAL A 74 5.359 -11.870 -58.585 1.00 1.00 H new ATOM 0 HG22 VAL A 74 6.778 -12.855 -58.156 1.00 1.00 H new ATOM 0 HG23 VAL A 74 5.857 -12.019 -56.883 1.00 1.00 H new ATOM 565 N ARG A 75 9.827 -9.218 -58.126 1.00 1.00 N ATOM 566 CA ARG A 75 10.565 -7.965 -58.217 1.00 1.00 C ATOM 567 C ARG A 75 9.668 -6.779 -57.874 1.00 1.00 C ATOM 568 O ARG A 75 8.747 -6.447 -58.621 1.00 1.00 O ATOM 569 CB ARG A 75 11.145 -7.790 -59.622 1.00 1.00 C ATOM 570 CG ARG A 75 12.062 -8.925 -60.047 1.00 1.00 C ATOM 571 CD ARG A 75 13.507 -8.646 -59.668 1.00 1.00 C ATOM 572 NE ARG A 75 14.043 -7.484 -60.372 1.00 1.00 N ATOM 573 CZ ARG A 75 14.436 -7.509 -61.640 1.00 1.00 C ATOM 574 NH1 ARG A 75 14.352 -8.632 -62.341 1.00 1.00 N ATOM 575 NH2 ARG A 75 14.912 -6.410 -62.211 1.00 1.00 N ATOM 0 H ARG A 75 9.973 -9.852 -58.912 1.00 1.00 H new ATOM 0 HA ARG A 75 11.382 -8.001 -57.496 1.00 1.00 H new ATOM 0 HB2 ARG A 75 10.326 -7.709 -60.337 1.00 1.00 H new ATOM 0 HB3 ARG A 75 11.698 -6.852 -59.663 1.00 1.00 H new ATOM 0 HG2 ARG A 75 11.735 -9.853 -59.579 1.00 1.00 H new ATOM 0 HG3 ARG A 75 11.989 -9.069 -61.125 1.00 1.00 H new ATOM 0 HD2 ARG A 75 13.574 -8.481 -58.593 1.00 1.00 H new ATOM 0 HD3 ARG A 75 14.117 -9.521 -59.895 1.00 1.00 H new ATOM 0 HE ARG A 75 14.120 -6.604 -59.861 1.00 1.00 H new ATOM 0 HH11 ARG A 75 13.985 -9.478 -61.906 1.00 1.00 H new ATOM 0 HH12 ARG A 75 14.654 -8.649 -63.315 1.00 1.00 H new ATOM 0 HH21 ARG A 75 14.976 -5.544 -61.676 1.00 1.00 H new ATOM 0 HH22 ARG A 75 15.213 -6.431 -63.185 1.00 1.00 H new ATOM 589 N LYS A 76 9.943 -6.144 -56.740 1.00 1.00 N ATOM 590 CA LYS A 76 9.164 -4.993 -56.299 1.00 1.00 C ATOM 591 C LYS A 76 9.127 -3.915 -57.377 1.00 1.00 C ATOM 592 O LYS A 76 8.187 -3.123 -57.444 1.00 1.00 O ATOM 593 CB LYS A 76 9.751 -4.418 -55.008 1.00 1.00 C ATOM 594 CG LYS A 76 9.982 -5.461 -53.928 1.00 1.00 C ATOM 595 CD LYS A 76 8.707 -6.223 -53.607 1.00 1.00 C ATOM 596 CE LYS A 76 8.883 -7.114 -52.386 1.00 1.00 C ATOM 597 NZ LYS A 76 9.334 -6.342 -51.196 1.00 1.00 N ATOM 0 H LYS A 76 10.700 -6.407 -56.109 1.00 1.00 H new ATOM 0 HA LYS A 76 8.144 -5.328 -56.110 1.00 1.00 H new ATOM 0 HB2 LYS A 76 10.697 -3.927 -55.236 1.00 1.00 H new ATOM 0 HB3 LYS A 76 9.079 -3.651 -54.623 1.00 1.00 H new ATOM 0 HG2 LYS A 76 10.752 -6.160 -54.255 1.00 1.00 H new ATOM 0 HG3 LYS A 76 10.354 -4.976 -53.026 1.00 1.00 H new ATOM 0 HD2 LYS A 76 7.895 -5.518 -53.430 1.00 1.00 H new ATOM 0 HD3 LYS A 76 8.420 -6.831 -54.465 1.00 1.00 H new ATOM 0 HE2 LYS A 76 7.940 -7.611 -52.160 1.00 1.00 H new ATOM 0 HE3 LYS A 76 9.610 -7.895 -52.609 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 9.138 -6.888 -50.333 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 10.356 -6.161 -51.266 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 8.824 -5.436 -51.156 1.00 1.00 H new ATOM 611 N ARG A 77 10.154 -3.891 -58.220 1.00 1.00 N ATOM 612 CA ARG A 77 10.239 -2.910 -59.295 1.00 1.00 C ATOM 613 C ARG A 77 9.055 -3.046 -60.248 1.00 1.00 C ATOM 614 O ARG A 77 8.552 -2.053 -60.777 1.00 1.00 O ATOM 615 CB ARG A 77 11.550 -3.077 -60.065 1.00 1.00 C ATOM 616 CG ARG A 77 12.691 -2.238 -59.514 1.00 1.00 C ATOM 617 CD ARG A 77 13.111 -2.708 -58.130 1.00 1.00 C ATOM 618 NE ARG A 77 14.463 -2.273 -57.791 1.00 1.00 N ATOM 619 CZ ARG A 77 14.784 -1.011 -57.529 1.00 1.00 C ATOM 620 NH1 ARG A 77 13.856 -0.065 -57.568 1.00 1.00 N ATOM 621 NH2 ARG A 77 16.037 -0.693 -57.228 1.00 1.00 N ATOM 0 H ARG A 77 10.940 -4.540 -58.179 1.00 1.00 H new ATOM 0 HA ARG A 77 10.213 -1.916 -58.849 1.00 1.00 H new ATOM 0 HB2 ARG A 77 11.841 -4.127 -60.047 1.00 1.00 H new ATOM 0 HB3 ARG A 77 11.385 -2.810 -61.109 1.00 1.00 H new ATOM 0 HG2 ARG A 77 13.543 -2.291 -60.192 1.00 1.00 H new ATOM 0 HG3 ARG A 77 12.386 -1.193 -59.467 1.00 1.00 H new ATOM 0 HD2 ARG A 77 12.410 -2.324 -57.389 1.00 1.00 H new ATOM 0 HD3 ARG A 77 13.058 -3.796 -58.085 1.00 1.00 H new ATOM 0 HE ARG A 77 15.201 -2.976 -57.753 1.00 1.00 H new ATOM 0 HH11 ARG A 77 12.892 -0.305 -57.800 1.00 1.00 H new ATOM 0 HH12 ARG A 77 14.106 0.903 -57.366 1.00 1.00 H new ATOM 0 HH21 ARG A 77 16.754 -1.418 -57.198 1.00 1.00 H new ATOM 0 HH22 ARG A 77 16.283 0.276 -57.027 1.00 1.00 H new ATOM 635 N THR A 78 8.615 -4.281 -60.466 1.00 1.00 N ATOM 636 CA THR A 78 7.493 -4.547 -61.356 1.00 1.00 C ATOM 637 C THR A 78 6.286 -3.690 -60.991 1.00 1.00 C ATOM 638 O THR A 78 5.766 -2.945 -61.823 1.00 1.00 O ATOM 639 CB THR A 78 7.084 -6.032 -61.317 1.00 1.00 C ATOM 640 OG1 THR A 78 8.242 -6.854 -61.135 1.00 1.00 O ATOM 641 CG2 THR A 78 6.370 -6.430 -62.600 1.00 1.00 C ATOM 0 H THR A 78 9.020 -5.114 -60.038 1.00 1.00 H new ATOM 0 HA THR A 78 7.823 -4.295 -62.364 1.00 1.00 H new ATOM 0 HB THR A 78 6.401 -6.177 -60.480 1.00 1.00 H new ATOM 0 HG1 THR A 78 8.331 -7.089 -60.188 1.00 1.00 H new ATOM 0 HG21 THR A 78 6.091 -7.482 -62.550 1.00 1.00 H new ATOM 0 HG22 THR A 78 5.473 -5.822 -62.721 1.00 1.00 H new ATOM 0 HG23 THR A 78 7.034 -6.271 -63.450 1.00 1.00 H new ATOM 649 N LEU A 79 5.845 -3.799 -59.743 1.00 1.00 N ATOM 650 CA LEU A 79 4.699 -3.032 -59.267 1.00 1.00 C ATOM 651 C LEU A 79 4.887 -1.544 -59.542 1.00 1.00 C ATOM 652 O LEU A 79 3.924 -0.825 -59.810 1.00 1.00 O ATOM 653 CB LEU A 79 4.493 -3.263 -57.768 1.00 1.00 C ATOM 654 CG LEU A 79 4.274 -4.714 -57.337 1.00 1.00 C ATOM 655 CD1 LEU A 79 4.725 -4.917 -55.899 1.00 1.00 C ATOM 656 CD2 LEU A 79 2.812 -5.104 -57.499 1.00 1.00 C ATOM 0 H LEU A 79 6.263 -4.411 -59.042 1.00 1.00 H new ATOM 0 HA LEU A 79 3.815 -3.373 -59.806 1.00 1.00 H new ATOM 0 HB2 LEU A 79 5.363 -2.875 -57.238 1.00 1.00 H new ATOM 0 HB3 LEU A 79 3.634 -2.675 -57.445 1.00 1.00 H new ATOM 0 HG LEU A 79 4.874 -5.358 -57.979 1.00 1.00 H new ATOM 0 HD11 LEU A 79 4.562 -5.955 -55.610 1.00 1.00 H new ATOM 0 HD12 LEU A 79 5.785 -4.679 -55.813 1.00 1.00 H new ATOM 0 HD13 LEU A 79 4.152 -4.263 -55.242 1.00 1.00 H new ATOM 0 HD21 LEU A 79 2.675 -6.140 -57.188 1.00 1.00 H new ATOM 0 HD22 LEU A 79 2.192 -4.454 -56.882 1.00 1.00 H new ATOM 0 HD23 LEU A 79 2.521 -4.998 -58.544 1.00 1.00 H new ATOM 668 N ARG A 80 6.134 -1.088 -59.476 1.00 1.00 N ATOM 669 CA ARG A 80 6.449 0.314 -59.719 1.00 1.00 C ATOM 670 C ARG A 80 6.353 0.643 -61.206 1.00 1.00 C ATOM 671 O ARG A 80 5.919 1.732 -61.584 1.00 1.00 O ATOM 672 CB ARG A 80 7.851 0.642 -59.203 1.00 1.00 C ATOM 673 CG ARG A 80 7.901 0.916 -57.709 1.00 1.00 C ATOM 674 CD ARG A 80 7.741 2.399 -57.409 1.00 1.00 C ATOM 675 NE ARG A 80 8.425 2.785 -56.178 1.00 1.00 N ATOM 676 CZ ARG A 80 7.941 2.549 -54.964 1.00 1.00 C ATOM 677 NH1 ARG A 80 6.777 1.930 -54.819 1.00 1.00 N ATOM 678 NH2 ARG A 80 8.621 2.931 -53.891 1.00 1.00 N ATOM 0 H ARG A 80 6.942 -1.670 -59.256 1.00 1.00 H new ATOM 0 HA ARG A 80 5.721 0.922 -59.182 1.00 1.00 H new ATOM 0 HB2 ARG A 80 8.518 -0.189 -59.434 1.00 1.00 H new ATOM 0 HB3 ARG A 80 8.231 1.513 -59.737 1.00 1.00 H new ATOM 0 HG2 ARG A 80 7.112 0.355 -57.208 1.00 1.00 H new ATOM 0 HG3 ARG A 80 8.849 0.562 -57.305 1.00 1.00 H new ATOM 0 HD2 ARG A 80 8.136 2.982 -58.241 1.00 1.00 H new ATOM 0 HD3 ARG A 80 6.681 2.640 -57.326 1.00 1.00 H new ATOM 0 HE ARG A 80 9.323 3.262 -56.255 1.00 1.00 H new ATOM 0 HH11 ARG A 80 6.251 1.634 -55.641 1.00 1.00 H new ATOM 0 HH12 ARG A 80 6.408 1.750 -53.885 1.00 1.00 H new ATOM 0 HH21 ARG A 80 9.517 3.407 -53.998 1.00 1.00 H new ATOM 0 HH22 ARG A 80 8.248 2.749 -52.959 1.00 1.00 H new ATOM 692 N ARG A 81 6.762 -0.304 -62.044 1.00 1.00 N ATOM 693 CA ARG A 81 6.724 -0.114 -63.489 1.00 1.00 C ATOM 694 C ARG A 81 5.288 0.049 -63.979 1.00 1.00 C ATOM 695 O ARG A 81 5.003 0.895 -64.828 1.00 1.00 O ATOM 696 CB ARG A 81 7.385 -1.298 -64.198 1.00 1.00 C ATOM 697 CG ARG A 81 8.899 -1.316 -64.071 1.00 1.00 C ATOM 698 CD ARG A 81 9.557 -0.440 -65.126 1.00 1.00 C ATOM 699 NE ARG A 81 9.763 0.926 -64.651 1.00 1.00 N ATOM 700 CZ ARG A 81 10.627 1.250 -63.696 1.00 1.00 C ATOM 701 NH1 ARG A 81 11.362 0.311 -63.116 1.00 1.00 N ATOM 702 NH2 ARG A 81 10.758 2.515 -63.319 1.00 1.00 N ATOM 0 H ARG A 81 7.123 -1.210 -61.747 1.00 1.00 H new ATOM 0 HA ARG A 81 7.275 0.796 -63.725 1.00 1.00 H new ATOM 0 HB2 ARG A 81 6.984 -2.225 -63.789 1.00 1.00 H new ATOM 0 HB3 ARG A 81 7.118 -1.273 -65.254 1.00 1.00 H new ATOM 0 HG2 ARG A 81 9.186 -0.970 -63.078 1.00 1.00 H new ATOM 0 HG3 ARG A 81 9.261 -2.339 -64.169 1.00 1.00 H new ATOM 0 HD2 ARG A 81 10.516 -0.873 -65.411 1.00 1.00 H new ATOM 0 HD3 ARG A 81 8.936 -0.423 -66.022 1.00 1.00 H new ATOM 0 HE ARG A 81 9.213 1.672 -65.076 1.00 1.00 H new ATOM 0 HH11 ARG A 81 11.265 -0.663 -63.403 1.00 1.00 H new ATOM 0 HH12 ARG A 81 12.025 0.563 -62.383 1.00 1.00 H new ATOM 0 HH21 ARG A 81 10.195 3.240 -63.763 1.00 1.00 H new ATOM 0 HH22 ARG A 81 11.422 2.762 -62.585 1.00 1.00 H new ATOM 716 N LEU A 82 4.389 -0.765 -63.439 1.00 1.00 N ATOM 717 CA LEU A 82 2.981 -0.711 -63.820 1.00 1.00 C ATOM 718 C LEU A 82 2.343 0.596 -63.360 1.00 1.00 C ATOM 719 O LEU A 82 1.480 1.152 -64.042 1.00 1.00 O ATOM 720 CB LEU A 82 2.225 -1.899 -63.223 1.00 1.00 C ATOM 721 CG LEU A 82 2.452 -3.249 -63.903 1.00 1.00 C ATOM 722 CD1 LEU A 82 2.307 -4.383 -62.899 1.00 1.00 C ATOM 723 CD2 LEU A 82 1.482 -3.433 -65.061 1.00 1.00 C ATOM 0 H LEU A 82 4.609 -1.471 -62.736 1.00 1.00 H new ATOM 0 HA LEU A 82 2.922 -0.760 -64.907 1.00 1.00 H new ATOM 0 HB2 LEU A 82 2.505 -1.992 -62.174 1.00 1.00 H new ATOM 0 HB3 LEU A 82 1.158 -1.676 -63.250 1.00 1.00 H new ATOM 0 HG LEU A 82 3.467 -3.269 -64.299 1.00 1.00 H new ATOM 0 HD11 LEU A 82 2.472 -5.336 -63.401 1.00 1.00 H new ATOM 0 HD12 LEU A 82 3.041 -4.260 -62.103 1.00 1.00 H new ATOM 0 HD13 LEU A 82 1.304 -4.366 -62.473 1.00 1.00 H new ATOM 0 HD21 LEU A 82 1.658 -4.399 -65.533 1.00 1.00 H new ATOM 0 HD22 LEU A 82 0.459 -3.393 -64.688 1.00 1.00 H new ATOM 0 HD23 LEU A 82 1.633 -2.639 -65.792 1.00 1.00 H new ATOM 735 N LEU A 83 2.774 1.084 -62.202 1.00 1.00 N ATOM 736 CA LEU A 83 2.246 2.327 -61.651 1.00 1.00 C ATOM 737 C LEU A 83 2.503 3.494 -62.599 1.00 1.00 C ATOM 738 O LEU A 83 1.672 4.393 -62.730 1.00 1.00 O ATOM 739 CB LEU A 83 2.878 2.613 -60.288 1.00 1.00 C ATOM 740 CG LEU A 83 2.294 1.844 -59.103 1.00 1.00 C ATOM 741 CD1 LEU A 83 3.217 1.938 -57.898 1.00 1.00 C ATOM 742 CD2 LEU A 83 0.908 2.370 -58.756 1.00 1.00 C ATOM 0 H LEU A 83 3.488 0.638 -61.626 1.00 1.00 H new ATOM 0 HA LEU A 83 1.169 2.213 -61.528 1.00 1.00 H new ATOM 0 HB2 LEU A 83 3.943 2.391 -60.350 1.00 1.00 H new ATOM 0 HB3 LEU A 83 2.786 3.680 -60.084 1.00 1.00 H new ATOM 0 HG LEU A 83 2.203 0.795 -59.385 1.00 1.00 H new ATOM 0 HD11 LEU A 83 2.785 1.385 -57.064 1.00 1.00 H new ATOM 0 HD12 LEU A 83 4.189 1.514 -58.150 1.00 1.00 H new ATOM 0 HD13 LEU A 83 3.340 2.983 -57.615 1.00 1.00 H new ATOM 0 HD21 LEU A 83 0.508 1.811 -57.910 1.00 1.00 H new ATOM 0 HD22 LEU A 83 0.975 3.426 -58.494 1.00 1.00 H new ATOM 0 HD23 LEU A 83 0.248 2.250 -59.615 1.00 1.00 H new ATOM 754 N GLN A 84 3.657 3.472 -63.257 1.00 1.00 N ATOM 755 CA GLN A 84 4.022 4.529 -64.193 1.00 1.00 C ATOM 756 C GLN A 84 2.963 4.685 -65.279 1.00 1.00 C ATOM 757 O GLN A 84 2.626 5.800 -65.675 1.00 1.00 O ATOM 758 CB GLN A 84 5.381 4.229 -64.829 1.00 1.00 C ATOM 759 CG GLN A 84 6.556 4.791 -64.046 1.00 1.00 C ATOM 760 CD GLN A 84 7.853 4.752 -64.831 1.00 1.00 C ATOM 761 OE1 GLN A 84 8.607 5.725 -64.855 1.00 1.00 O ATOM 762 NE2 GLN A 84 8.119 3.623 -65.478 1.00 1.00 N ATOM 0 H GLN A 84 4.355 2.735 -63.160 1.00 1.00 H new ATOM 0 HA GLN A 84 4.087 5.465 -63.638 1.00 1.00 H new ATOM 0 HB2 GLN A 84 5.499 3.149 -64.921 1.00 1.00 H new ATOM 0 HB3 GLN A 84 5.399 4.639 -65.839 1.00 1.00 H new ATOM 0 HG2 GLN A 84 6.339 5.821 -63.761 1.00 1.00 H new ATOM 0 HG3 GLN A 84 6.677 4.224 -63.123 1.00 1.00 H new ATOM 0 HE21 GLN A 84 7.465 2.842 -65.430 1.00 1.00 H new ATOM 0 HE22 GLN A 84 8.977 3.537 -66.023 1.00 1.00 H new ATOM 771 N GLU A 85 2.441 3.559 -65.756 1.00 1.00 N ATOM 772 CA GLU A 85 1.420 3.571 -66.797 1.00 1.00 C ATOM 773 C GLU A 85 0.053 3.917 -66.214 1.00 1.00 C ATOM 774 O GLU A 85 -0.798 4.489 -66.895 1.00 1.00 O ATOM 775 CB GLU A 85 1.359 2.213 -67.499 1.00 1.00 C ATOM 776 CG GLU A 85 2.269 2.113 -68.712 1.00 1.00 C ATOM 777 CD GLU A 85 2.474 0.682 -69.171 1.00 1.00 C ATOM 778 OE1 GLU A 85 1.668 0.202 -69.995 1.00 1.00 O ATOM 779 OE2 GLU A 85 3.441 0.043 -68.706 1.00 1.00 O ATOM 0 H GLU A 85 2.708 2.627 -65.438 1.00 1.00 H new ATOM 0 HA GLU A 85 1.689 4.336 -67.525 1.00 1.00 H new ATOM 0 HB2 GLU A 85 1.630 1.433 -66.787 1.00 1.00 H new ATOM 0 HB3 GLU A 85 0.332 2.019 -67.809 1.00 1.00 H new ATOM 0 HG2 GLU A 85 1.844 2.695 -69.529 1.00 1.00 H new ATOM 0 HG3 GLU A 85 3.236 2.556 -68.474 1.00 1.00 H new ATOM 786 N ARG A 86 -0.150 3.564 -64.949 1.00 1.00 N ATOM 787 CA ARG A 86 -1.414 3.834 -64.274 1.00 1.00 C ATOM 788 C ARG A 86 -1.573 5.326 -63.994 1.00 1.00 C ATOM 789 O ARG A 86 -2.539 5.949 -64.433 1.00 1.00 O ATOM 790 CB ARG A 86 -1.496 3.047 -62.965 1.00 1.00 C ATOM 791 CG ARG A 86 -1.692 1.553 -63.164 1.00 1.00 C ATOM 792 CD ARG A 86 -3.167 1.185 -63.204 1.00 1.00 C ATOM 793 NE ARG A 86 -3.399 -0.197 -62.792 1.00 1.00 N ATOM 794 CZ ARG A 86 -4.603 -0.697 -62.540 1.00 1.00 C ATOM 795 NH1 ARG A 86 -5.680 0.068 -62.656 1.00 1.00 N ATOM 796 NH2 ARG A 86 -4.732 -1.965 -62.170 1.00 1.00 N ATOM 0 H ARG A 86 0.544 3.091 -64.371 1.00 1.00 H new ATOM 0 HA ARG A 86 -2.223 3.517 -64.932 1.00 1.00 H new ATOM 0 HB2 ARG A 86 -0.582 3.212 -62.394 1.00 1.00 H new ATOM 0 HB3 ARG A 86 -2.320 3.437 -62.368 1.00 1.00 H new ATOM 0 HG2 ARG A 86 -1.213 1.243 -64.093 1.00 1.00 H new ATOM 0 HG3 ARG A 86 -1.202 1.010 -62.356 1.00 1.00 H new ATOM 0 HD2 ARG A 86 -3.726 1.856 -62.552 1.00 1.00 H new ATOM 0 HD3 ARG A 86 -3.550 1.331 -64.214 1.00 1.00 H new ATOM 0 HE ARG A 86 -2.591 -0.812 -62.692 1.00 1.00 H new ATOM 0 HH11 ARG A 86 -5.585 1.043 -62.939 1.00 1.00 H new ATOM 0 HH12 ARG A 86 -6.604 -0.319 -62.462 1.00 1.00 H new ATOM 0 HH21 ARG A 86 -3.906 -2.556 -62.079 1.00 1.00 H new ATOM 0 HH22 ARG A 86 -5.657 -2.348 -61.977 1.00 1.00 H new ATOM 810 N GLU A 87 -0.619 5.890 -63.260 1.00 1.00 N ATOM 811 CA GLU A 87 -0.656 7.307 -62.919 1.00 1.00 C ATOM 812 C GLU A 87 0.041 8.143 -63.989 1.00 1.00 C ATOM 813 O GLU A 87 1.234 7.972 -64.247 1.00 1.00 O ATOM 814 CB GLU A 87 0.005 7.545 -61.560 1.00 1.00 C ATOM 815 CG GLU A 87 -0.892 7.209 -60.380 1.00 1.00 C ATOM 816 CD GLU A 87 -1.827 8.345 -60.016 1.00 1.00 C ATOM 817 OE1 GLU A 87 -2.896 8.461 -60.650 1.00 1.00 O ATOM 818 OE2 GLU A 87 -1.489 9.119 -59.096 1.00 1.00 O ATOM 0 H GLU A 87 0.188 5.388 -62.890 1.00 1.00 H new ATOM 0 HA GLU A 87 -1.701 7.614 -62.866 1.00 1.00 H new ATOM 0 HB2 GLU A 87 0.913 6.946 -61.497 1.00 1.00 H new ATOM 0 HB3 GLU A 87 0.307 8.590 -61.490 1.00 1.00 H new ATOM 0 HG2 GLU A 87 -1.479 6.322 -60.616 1.00 1.00 H new ATOM 0 HG3 GLU A 87 -0.274 6.962 -59.517 1.00 1.00 H new ATOM 825 N LEU A 88 -0.710 9.046 -64.608 1.00 1.00 N ATOM 826 CA LEU A 88 -0.166 9.909 -65.651 1.00 1.00 C ATOM 827 C LEU A 88 0.635 11.057 -65.045 1.00 1.00 C ATOM 828 O LEU A 88 1.691 11.430 -65.557 1.00 1.00 O ATOM 829 CB LEU A 88 -1.294 10.463 -66.522 1.00 1.00 C ATOM 830 CG LEU A 88 -1.792 9.546 -67.640 1.00 1.00 C ATOM 831 CD1 LEU A 88 -2.759 8.510 -67.089 1.00 1.00 C ATOM 832 CD2 LEU A 88 -2.451 10.359 -68.744 1.00 1.00 C ATOM 0 H LEU A 88 -1.698 9.200 -64.406 1.00 1.00 H new ATOM 0 HA LEU A 88 0.503 9.311 -66.271 1.00 1.00 H new ATOM 0 HB2 LEU A 88 -2.138 10.707 -65.877 1.00 1.00 H new ATOM 0 HB3 LEU A 88 -0.955 11.397 -66.970 1.00 1.00 H new ATOM 0 HG LEU A 88 -0.934 9.024 -68.064 1.00 1.00 H new ATOM 0 HD11 LEU A 88 -3.103 7.866 -67.899 1.00 1.00 H new ATOM 0 HD12 LEU A 88 -2.254 7.906 -66.335 1.00 1.00 H new ATOM 0 HD13 LEU A 88 -3.614 9.014 -66.638 1.00 1.00 H new ATOM 0 HD21 LEU A 88 -2.799 9.690 -69.531 1.00 1.00 H new ATOM 0 HD22 LEU A 88 -3.298 10.909 -68.335 1.00 1.00 H new ATOM 0 HD23 LEU A 88 -1.729 11.062 -69.159 1.00 1.00 H new ATOM 844 N VAL A 89 0.126 11.614 -63.950 1.00 1.00 N ATOM 845 CA VAL A 89 0.797 12.716 -63.271 1.00 1.00 C ATOM 846 C VAL A 89 0.826 12.495 -61.763 1.00 1.00 C ATOM 847 O VAL A 89 -0.159 12.745 -61.070 1.00 1.00 O ATOM 848 CB VAL A 89 0.107 14.061 -63.568 1.00 1.00 C ATOM 849 CG1 VAL A 89 0.821 15.197 -62.853 1.00 1.00 C ATOM 850 CG2 VAL A 89 0.056 14.313 -65.068 1.00 1.00 C ATOM 0 H VAL A 89 -0.748 11.320 -63.515 1.00 1.00 H new ATOM 0 HA VAL A 89 1.818 12.748 -63.651 1.00 1.00 H new ATOM 0 HB VAL A 89 -0.916 14.015 -63.195 1.00 1.00 H new ATOM 0 HG11 VAL A 89 0.319 16.139 -63.075 1.00 1.00 H new ATOM 0 HG12 VAL A 89 0.801 15.020 -61.778 1.00 1.00 H new ATOM 0 HG13 VAL A 89 1.855 15.248 -63.193 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -0.435 15.267 -65.260 1.00 1.00 H new ATOM 0 HG22 VAL A 89 1.070 14.339 -65.467 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -0.504 13.513 -65.552 1.00 1.00 H new ATOM 860 N GLU A 90 1.965 12.026 -61.261 1.00 1.00 N ATOM 861 CA GLU A 90 2.122 11.772 -59.834 1.00 1.00 C ATOM 862 C GLU A 90 2.861 12.921 -59.155 1.00 1.00 C ATOM 863 O GLU A 90 3.896 13.380 -59.638 1.00 1.00 O ATOM 864 CB GLU A 90 2.878 10.460 -59.608 1.00 1.00 C ATOM 865 CG GLU A 90 2.704 9.891 -58.210 1.00 1.00 C ATOM 866 CD GLU A 90 2.912 8.390 -58.161 1.00 1.00 C ATOM 867 OE1 GLU A 90 3.939 7.917 -58.691 1.00 1.00 O ATOM 868 OE2 GLU A 90 2.049 7.689 -57.593 1.00 1.00 O ATOM 0 H GLU A 90 2.791 11.815 -61.821 1.00 1.00 H new ATOM 0 HA GLU A 90 1.128 11.692 -59.393 1.00 1.00 H new ATOM 0 HB2 GLU A 90 2.537 9.724 -60.336 1.00 1.00 H new ATOM 0 HB3 GLU A 90 3.939 10.625 -59.795 1.00 1.00 H new ATOM 0 HG2 GLU A 90 3.410 10.374 -57.535 1.00 1.00 H new ATOM 0 HG3 GLU A 90 1.704 10.127 -57.847 1.00 1.00 H new ATOM 875 N GLY A 91 2.322 13.382 -58.031 1.00 1.00 N ATOM 876 CA GLY A 91 2.943 14.473 -57.302 1.00 1.00 C ATOM 877 C GLY A 91 1.949 15.550 -56.914 1.00 1.00 C ATOM 878 O GLY A 91 0.920 15.265 -56.305 1.00 1.00 O ATOM 0 H GLY A 91 1.466 13.019 -57.612 1.00 1.00 H new ATOM 0 HA2 GLY A 91 3.419 14.081 -56.403 1.00 1.00 H new ATOM 0 HA3 GLY A 91 3.731 14.913 -57.914 1.00 1.00 H new ATOM 882 N GLY A 92 2.259 16.794 -57.267 1.00 1.00 N ATOM 883 CA GLY A 92 1.377 17.899 -56.941 1.00 1.00 C ATOM 884 C GLY A 92 0.104 17.887 -57.764 1.00 1.00 C ATOM 885 O GLY A 92 -0.080 17.023 -58.622 1.00 1.00 O ATOM 0 H GLY A 92 3.105 17.056 -57.773 1.00 1.00 H new ATOM 0 HA2 GLY A 92 1.122 17.856 -55.882 1.00 1.00 H new ATOM 0 HA3 GLY A 92 1.903 18.840 -57.104 1.00 1.00 H new TER 889 GLY A 92