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 -58:sc= 1.03 USER MOD Single : A 41 CYS SG : rot 71:sc= 0.258 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.00449 USER MOD Single : A 48 THR OG1 : rot -101:sc= 0.858 USER MOD Single : A 50 MET CE :methyl 152:sc= -0.139 (180deg=-0.76) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 39 -1.836 -13.144 -13.794 1.00 1.00 N ATOM 2 CA GLY A 39 -2.366 -12.192 -12.836 1.00 1.00 C ATOM 3 C GLY A 39 -3.597 -11.474 -13.353 1.00 1.00 C ATOM 4 O GLY A 39 -4.721 -11.804 -12.974 1.00 1.00 O ATOM 0 HA2 GLY A 39 -2.614 -12.712 -11.911 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -1.597 -11.459 -12.593 1.00 1.00 H new ATOM 8 N SER A 40 -3.386 -10.489 -14.220 1.00 1.00 N ATOM 9 CA SER A 40 -4.488 -9.719 -14.785 1.00 1.00 C ATOM 10 C SER A 40 -5.386 -9.166 -13.682 1.00 1.00 C ATOM 11 O SER A 40 -6.596 -9.031 -13.862 1.00 1.00 O ATOM 12 CB SER A 40 -5.309 -10.588 -15.739 1.00 1.00 C ATOM 13 OG SER A 40 -6.283 -11.338 -15.035 1.00 1.00 O ATOM 0 H SER A 40 -2.462 -10.205 -14.546 1.00 1.00 H new ATOM 0 HA SER A 40 -4.066 -8.881 -15.340 1.00 1.00 H new ATOM 0 HB2 SER A 40 -5.798 -9.957 -16.481 1.00 1.00 H new ATOM 0 HB3 SER A 40 -4.647 -11.263 -16.281 1.00 1.00 H new ATOM 0 HG SER A 40 -5.842 -11.896 -14.361 1.00 1.00 H new ATOM 19 N CYS A 41 -4.784 -8.849 -12.541 1.00 1.00 N ATOM 20 CA CYS A 41 -5.528 -8.311 -11.408 1.00 1.00 C ATOM 21 C CYS A 41 -4.823 -7.090 -10.825 1.00 1.00 C ATOM 22 O CYS A 41 -3.662 -6.823 -11.134 1.00 1.00 O ATOM 23 CB CYS A 41 -5.697 -9.381 -10.329 1.00 1.00 C ATOM 24 SG CYS A 41 -6.876 -10.683 -10.758 1.00 1.00 S ATOM 0 H CYS A 41 -3.783 -8.955 -12.376 1.00 1.00 H new ATOM 0 HA CYS A 41 -6.512 -8.004 -11.763 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -4.727 -9.836 -10.129 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -6.021 -8.902 -9.405 1.00 1.00 H new ATOM 0 HG CYS A 41 -6.374 -11.431 -11.695 1.00 1.00 H new ATOM 30 N LYS A 42 -5.534 -6.351 -9.980 1.00 1.00 N ATOM 31 CA LYS A 42 -4.980 -5.156 -9.355 1.00 1.00 C ATOM 32 C LYS A 42 -4.382 -4.221 -10.402 1.00 1.00 C ATOM 33 O LYS A 42 -3.417 -3.506 -10.130 1.00 1.00 O ATOM 34 CB LYS A 42 -3.910 -5.541 -8.330 1.00 1.00 C ATOM 35 CG LYS A 42 -4.313 -6.703 -7.439 1.00 1.00 C ATOM 36 CD LYS A 42 -5.566 -6.385 -6.640 1.00 1.00 C ATOM 37 CE LYS A 42 -5.902 -7.501 -5.662 1.00 1.00 C ATOM 38 NZ LYS A 42 -6.823 -7.038 -4.588 1.00 1.00 N ATOM 0 H LYS A 42 -6.496 -6.559 -9.712 1.00 1.00 H new ATOM 0 HA LYS A 42 -5.791 -4.633 -8.847 1.00 1.00 H new ATOM 0 HB2 LYS A 42 -2.991 -5.799 -8.856 1.00 1.00 H new ATOM 0 HB3 LYS A 42 -3.688 -4.675 -7.706 1.00 1.00 H new ATOM 0 HG2 LYS A 42 -4.485 -7.589 -8.050 1.00 1.00 H new ATOM 0 HG3 LYS A 42 -3.496 -6.940 -6.757 1.00 1.00 H new ATOM 0 HD2 LYS A 42 -5.424 -5.452 -6.094 1.00 1.00 H new ATOM 0 HD3 LYS A 42 -6.404 -6.232 -7.320 1.00 1.00 H new ATOM 0 HE2 LYS A 42 -6.360 -8.330 -6.201 1.00 1.00 H new ATOM 0 HE3 LYS A 42 -4.983 -7.880 -5.214 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 -7.028 -7.827 -3.942 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 -6.376 -6.263 -4.057 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 -7.710 -6.700 -5.013 1.00 1.00 H new ATOM 52 N ILE A 43 -4.961 -4.232 -11.598 1.00 1.00 N ATOM 53 CA ILE A 43 -4.487 -3.383 -12.683 1.00 1.00 C ATOM 54 C ILE A 43 -5.041 -1.968 -12.557 1.00 1.00 C ATOM 55 O ILE A 43 -6.229 -1.760 -12.313 1.00 1.00 O ATOM 56 CB ILE A 43 -4.880 -3.956 -14.058 1.00 1.00 C ATOM 57 CG1 ILE A 43 -4.334 -5.376 -14.219 1.00 1.00 C ATOM 58 CG2 ILE A 43 -4.366 -3.056 -15.173 1.00 1.00 C ATOM 59 CD1 ILE A 43 -2.834 -5.470 -14.044 1.00 1.00 C ATOM 0 H ILE A 43 -5.759 -4.820 -11.840 1.00 1.00 H new ATOM 0 HA ILE A 43 -3.400 -3.352 -12.608 1.00 1.00 H new ATOM 0 HB ILE A 43 -5.967 -3.996 -14.121 1.00 1.00 H new ATOM 0 HG12 ILE A 43 -4.818 -6.027 -13.491 1.00 1.00 H new ATOM 0 HG13 ILE A 43 -4.600 -5.749 -15.208 1.00 1.00 H new ATOM 0 HG21 ILE A 43 -4.651 -3.474 -16.138 1.00 1.00 H new ATOM 0 HG22 ILE A 43 -4.798 -2.061 -15.066 1.00 1.00 H new ATOM 0 HG23 ILE A 43 -3.280 -2.988 -15.114 1.00 1.00 H new ATOM 0 HD11 ILE A 43 -2.517 -6.505 -14.172 1.00 1.00 H new ATOM 0 HD12 ILE A 43 -2.341 -4.845 -14.789 1.00 1.00 H new ATOM 0 HD13 ILE A 43 -2.562 -5.128 -13.046 1.00 1.00 H new ATOM 71 N PRO A 44 -4.161 -0.971 -12.729 1.00 1.00 N ATOM 72 CA PRO A 44 -4.539 0.443 -12.642 1.00 1.00 C ATOM 73 C PRO A 44 -5.414 0.882 -13.811 1.00 1.00 C ATOM 74 O PRO A 44 -5.896 0.053 -14.583 1.00 1.00 O ATOM 75 CB PRO A 44 -3.194 1.173 -12.677 1.00 1.00 C ATOM 76 CG PRO A 44 -2.275 0.240 -13.387 1.00 1.00 C ATOM 77 CD PRO A 44 -2.728 -1.146 -13.022 1.00 1.00 C ATOM 0 HA PRO A 44 -5.130 0.653 -11.750 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -3.274 2.125 -13.201 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -2.836 1.392 -11.671 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -2.320 0.394 -14.465 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -1.241 0.405 -13.084 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -2.568 -1.849 -13.839 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -2.186 -1.532 -12.159 1.00 1.00 H new ATOM 85 N SER A 45 -5.614 2.190 -13.937 1.00 1.00 N ATOM 86 CA SER A 45 -6.432 2.738 -15.011 1.00 1.00 C ATOM 87 C SER A 45 -5.575 3.519 -16.003 1.00 1.00 C ATOM 88 O SER A 45 -5.838 3.514 -17.206 1.00 1.00 O ATOM 89 CB SER A 45 -7.523 3.645 -14.438 1.00 1.00 C ATOM 90 OG SER A 45 -7.073 4.308 -13.270 1.00 1.00 O ATOM 0 H SER A 45 -5.220 2.890 -13.308 1.00 1.00 H new ATOM 0 HA SER A 45 -6.900 1.906 -15.538 1.00 1.00 H new ATOM 0 HB2 SER A 45 -7.819 4.380 -15.186 1.00 1.00 H new ATOM 0 HB3 SER A 45 -8.408 3.053 -14.206 1.00 1.00 H new ATOM 0 HG SER A 45 -7.788 4.883 -12.924 1.00 1.00 H new ATOM 96 N ILE A 46 -4.548 4.188 -15.489 1.00 1.00 N ATOM 97 CA ILE A 46 -3.651 4.973 -16.328 1.00 1.00 C ATOM 98 C ILE A 46 -2.806 4.072 -17.222 1.00 1.00 C ATOM 99 O ILE A 46 -2.161 4.540 -18.159 1.00 1.00 O ATOM 100 CB ILE A 46 -2.718 5.858 -15.481 1.00 1.00 C ATOM 101 CG1 ILE A 46 -3.537 6.797 -14.593 1.00 1.00 C ATOM 102 CG2 ILE A 46 -1.782 6.652 -16.379 1.00 1.00 C ATOM 103 CD1 ILE A 46 -2.734 7.425 -13.475 1.00 1.00 C ATOM 0 H ILE A 46 -4.317 4.202 -14.496 1.00 1.00 H new ATOM 0 HA ILE A 46 -4.278 5.612 -16.949 1.00 1.00 H new ATOM 0 HB ILE A 46 -2.116 5.215 -14.839 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -3.964 7.587 -15.211 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -4.371 6.242 -14.163 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -1.129 7.273 -15.766 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -1.178 5.966 -16.972 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -2.367 7.288 -17.043 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -3.378 8.078 -12.887 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -2.328 6.642 -12.834 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -1.916 8.008 -13.898 1.00 1.00 H new ATOM 115 N ALA A 47 -2.817 2.777 -16.926 1.00 1.00 N ATOM 116 CA ALA A 47 -2.054 1.809 -17.705 1.00 1.00 C ATOM 117 C ALA A 47 -2.953 1.060 -18.682 1.00 1.00 C ATOM 118 O ALA A 47 -2.471 0.363 -19.576 1.00 1.00 O ATOM 119 CB ALA A 47 -1.344 0.831 -16.781 1.00 1.00 C ATOM 0 H ALA A 47 -3.346 2.374 -16.153 1.00 1.00 H new ATOM 0 HA ALA A 47 -1.307 2.353 -18.284 1.00 1.00 H new ATOM 0 HB1 ALA A 47 -0.778 0.114 -17.376 1.00 1.00 H new ATOM 0 HB2 ALA A 47 -0.664 1.377 -16.127 1.00 1.00 H new ATOM 0 HB3 ALA A 47 -2.081 0.301 -16.177 1.00 1.00 H new ATOM 125 N THR A 48 -4.262 1.206 -18.506 1.00 1.00 N ATOM 126 CA THR A 48 -5.229 0.543 -19.372 1.00 1.00 C ATOM 127 C THR A 48 -5.098 1.024 -20.812 1.00 1.00 C ATOM 128 O THR A 48 -4.899 0.227 -21.728 1.00 1.00 O ATOM 129 CB THR A 48 -6.672 0.783 -18.891 1.00 1.00 C ATOM 130 OG1 THR A 48 -6.976 2.182 -18.936 1.00 1.00 O ATOM 131 CG2 THR A 48 -6.865 0.262 -17.475 1.00 1.00 C ATOM 0 H THR A 48 -4.677 1.778 -17.771 1.00 1.00 H new ATOM 0 HA THR A 48 -5.013 -0.524 -19.328 1.00 1.00 H new ATOM 0 HB THR A 48 -7.347 0.243 -19.554 1.00 1.00 H new ATOM 0 HG1 THR A 48 -6.906 2.561 -18.035 1.00 1.00 H new ATOM 0 HG21 THR A 48 -7.892 0.443 -17.158 1.00 1.00 H new ATOM 0 HG22 THR A 48 -6.661 -0.808 -17.450 1.00 1.00 H new ATOM 0 HG23 THR A 48 -6.181 0.778 -16.801 1.00 1.00 H new ATOM 139 N GLY A 49 -5.210 2.335 -21.006 1.00 1.00 N ATOM 140 CA GLY A 49 -5.103 2.900 -22.339 1.00 1.00 C ATOM 141 C GLY A 49 -3.885 2.393 -23.086 1.00 1.00 C ATOM 142 O GLY A 49 -3.965 2.075 -24.273 1.00 1.00 O ATOM 0 H GLY A 49 -5.373 3.016 -20.264 1.00 1.00 H new ATOM 0 HA2 GLY A 49 -6.001 2.657 -22.907 1.00 1.00 H new ATOM 0 HA3 GLY A 49 -5.056 3.987 -22.267 1.00 1.00 H new ATOM 146 N MET A 50 -2.755 2.319 -22.392 1.00 1.00 N ATOM 147 CA MET A 50 -1.515 1.848 -22.999 1.00 1.00 C ATOM 148 C MET A 50 -1.655 0.404 -23.472 1.00 1.00 C ATOM 149 O MET A 50 -1.266 0.067 -24.590 1.00 1.00 O ATOM 150 CB MET A 50 -0.360 1.960 -22.002 1.00 1.00 C ATOM 151 CG MET A 50 0.280 3.339 -21.966 1.00 1.00 C ATOM 152 SD MET A 50 1.443 3.600 -23.319 1.00 1.00 S ATOM 153 CE MET A 50 0.471 4.640 -24.405 1.00 1.00 C ATOM 0 H MET A 50 -2.672 2.579 -21.409 1.00 1.00 H new ATOM 0 HA MET A 50 -1.302 2.476 -23.864 1.00 1.00 H new ATOM 0 HB2 MET A 50 -0.726 1.712 -21.006 1.00 1.00 H new ATOM 0 HB3 MET A 50 0.401 1.222 -22.255 1.00 1.00 H new ATOM 0 HG2 MET A 50 -0.500 4.099 -22.011 1.00 1.00 H new ATOM 0 HG3 MET A 50 0.798 3.470 -21.016 1.00 1.00 H new ATOM 0 HE1 MET A 50 1.135 5.276 -24.990 1.00 1.00 H new ATOM 0 HE2 MET A 50 -0.118 4.015 -25.076 1.00 1.00 H new ATOM 0 HE3 MET A 50 -0.197 5.263 -23.810 1.00 1.00 H new ATOM 163 N VAL A 51 -2.213 -0.444 -22.614 1.00 1.00 N ATOM 164 CA VAL A 51 -2.405 -1.850 -22.945 1.00 1.00 C ATOM 165 C VAL A 51 -3.226 -2.008 -24.220 1.00 1.00 C ATOM 166 O VAL A 51 -2.776 -2.618 -25.189 1.00 1.00 O ATOM 167 CB VAL A 51 -3.106 -2.606 -21.800 1.00 1.00 C ATOM 168 CG1 VAL A 51 -3.166 -4.096 -22.100 1.00 1.00 C ATOM 169 CG2 VAL A 51 -2.396 -2.348 -20.479 1.00 1.00 C ATOM 0 H VAL A 51 -2.540 -0.181 -21.684 1.00 1.00 H new ATOM 0 HA VAL A 51 -1.414 -2.276 -23.099 1.00 1.00 H new ATOM 0 HB VAL A 51 -4.128 -2.236 -21.716 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -3.665 -4.613 -21.280 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -3.722 -4.259 -23.023 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -2.154 -4.486 -22.212 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -2.904 -2.889 -19.681 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -1.363 -2.689 -20.548 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -2.412 -1.280 -20.260 1.00 1.00 H new ATOM 179 N GLY A 52 -4.434 -1.452 -24.212 1.00 1.00 N ATOM 180 CA GLY A 52 -5.299 -1.542 -25.374 1.00 1.00 C ATOM 181 C GLY A 52 -4.596 -1.135 -26.653 1.00 1.00 C ATOM 182 O GLY A 52 -4.739 -1.791 -27.684 1.00 1.00 O ATOM 0 H GLY A 52 -4.829 -0.941 -23.422 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -5.664 -2.564 -25.473 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -6.171 -0.906 -25.224 1.00 1.00 H new ATOM 186 N ALA A 53 -3.835 -0.047 -26.588 1.00 1.00 N ATOM 187 CA ALA A 53 -3.107 0.447 -27.750 1.00 1.00 C ATOM 188 C ALA A 53 -1.931 -0.462 -28.088 1.00 1.00 C ATOM 189 O ALA A 53 -1.588 -0.642 -29.257 1.00 1.00 O ATOM 190 CB ALA A 53 -2.624 1.869 -27.505 1.00 1.00 C ATOM 0 H ALA A 53 -3.707 0.509 -25.742 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.788 0.448 -28.601 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -2.082 2.225 -28.381 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -3.480 2.517 -27.320 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -1.963 1.885 -26.638 1.00 1.00 H new ATOM 196 N LEU A 54 -1.316 -1.033 -27.059 1.00 1.00 N ATOM 197 CA LEU A 54 -0.177 -1.925 -27.247 1.00 1.00 C ATOM 198 C LEU A 54 -0.558 -3.119 -28.116 1.00 1.00 C ATOM 199 O LEU A 54 0.144 -3.454 -29.072 1.00 1.00 O ATOM 200 CB LEU A 54 0.345 -2.411 -25.893 1.00 1.00 C ATOM 201 CG LEU A 54 1.427 -1.549 -25.243 1.00 1.00 C ATOM 202 CD1 LEU A 54 1.511 -1.834 -23.751 1.00 1.00 C ATOM 203 CD2 LEU A 54 2.774 -1.791 -25.909 1.00 1.00 C ATOM 0 H LEU A 54 -1.587 -0.894 -26.085 1.00 1.00 H new ATOM 0 HA LEU A 54 0.610 -1.367 -27.754 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -0.498 -2.481 -25.205 1.00 1.00 H new ATOM 0 HB3 LEU A 54 0.739 -3.420 -26.019 1.00 1.00 H new ATOM 0 HG LEU A 54 1.160 -0.501 -25.379 1.00 1.00 H new ATOM 0 HD11 LEU A 54 2.286 -1.211 -23.305 1.00 1.00 H new ATOM 0 HD12 LEU A 54 0.552 -1.610 -23.283 1.00 1.00 H new ATOM 0 HD13 LEU A 54 1.755 -2.885 -23.594 1.00 1.00 H new ATOM 0 HD21 LEU A 54 3.532 -1.169 -25.433 1.00 1.00 H new ATOM 0 HD22 LEU A 54 3.048 -2.841 -25.805 1.00 1.00 H new ATOM 0 HD23 LEU A 54 2.708 -1.537 -26.967 1.00 1.00 H new ATOM 215 N LEU A 55 -1.673 -3.757 -27.780 1.00 1.00 N ATOM 216 CA LEU A 55 -2.150 -4.913 -28.532 1.00 1.00 C ATOM 217 C LEU A 55 -2.604 -4.504 -29.929 1.00 1.00 C ATOM 218 O LEU A 55 -2.224 -5.124 -30.924 1.00 1.00 O ATOM 219 CB LEU A 55 -3.301 -5.591 -27.787 1.00 1.00 C ATOM 220 CG LEU A 55 -3.168 -5.661 -26.265 1.00 1.00 C ATOM 221 CD1 LEU A 55 -4.199 -6.614 -25.682 1.00 1.00 C ATOM 222 CD2 LEU A 55 -1.761 -6.090 -25.873 1.00 1.00 C ATOM 0 H LEU A 55 -2.264 -3.494 -26.992 1.00 1.00 H new ATOM 0 HA LEU A 55 -1.324 -5.618 -28.630 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -4.224 -5.063 -28.027 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -3.407 -6.606 -28.169 1.00 1.00 H new ATOM 0 HG LEU A 55 -3.351 -4.667 -25.857 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -4.089 -6.651 -24.598 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -5.200 -6.265 -25.933 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -4.048 -7.611 -26.096 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -1.684 -6.135 -24.787 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -1.550 -7.074 -26.293 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -1.040 -5.369 -26.259 1.00 1.00 H new ATOM 234 N LEU A 56 -3.417 -3.456 -29.999 1.00 1.00 N ATOM 235 CA LEU A 56 -3.924 -2.963 -31.275 1.00 1.00 C ATOM 236 C LEU A 56 -2.785 -2.752 -32.267 1.00 1.00 C ATOM 237 O LEU A 56 -2.766 -3.350 -33.344 1.00 1.00 O ATOM 238 CB LEU A 56 -4.688 -1.654 -31.072 1.00 1.00 C ATOM 239 CG LEU A 56 -5.836 -1.388 -32.046 1.00 1.00 C ATOM 240 CD1 LEU A 56 -7.042 -2.245 -31.696 1.00 1.00 C ATOM 241 CD2 LEU A 56 -6.208 0.087 -32.043 1.00 1.00 C ATOM 0 H LEU A 56 -3.740 -2.931 -29.186 1.00 1.00 H new ATOM 0 HA LEU A 56 -4.603 -3.712 -31.682 1.00 1.00 H new ATOM 0 HB2 LEU A 56 -5.089 -1.644 -30.058 1.00 1.00 H new ATOM 0 HB3 LEU A 56 -3.980 -0.829 -31.143 1.00 1.00 H new ATOM 0 HG LEU A 56 -5.505 -1.656 -33.049 1.00 1.00 H new ATOM 0 HD11 LEU A 56 -7.849 -2.042 -32.400 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -6.768 -3.299 -31.752 1.00 1.00 H new ATOM 0 HD13 LEU A 56 -7.375 -2.010 -30.685 1.00 1.00 H new ATOM 0 HD21 LEU A 56 -7.027 0.257 -32.742 1.00 1.00 H new ATOM 0 HD22 LEU A 56 -6.519 0.382 -31.041 1.00 1.00 H new ATOM 0 HD23 LEU A 56 -5.345 0.681 -32.344 1.00 1.00 H new ATOM 253 N LEU A 57 -1.835 -1.900 -31.898 1.00 1.00 N ATOM 254 CA LEU A 57 -0.691 -1.611 -32.755 1.00 1.00 C ATOM 255 C LEU A 57 0.039 -2.893 -33.140 1.00 1.00 C ATOM 256 O LEU A 57 0.414 -3.083 -34.298 1.00 1.00 O ATOM 257 CB LEU A 57 0.272 -0.656 -32.048 1.00 1.00 C ATOM 258 CG LEU A 57 -0.261 0.749 -31.766 1.00 1.00 C ATOM 259 CD1 LEU A 57 0.821 1.617 -31.143 1.00 1.00 C ATOM 260 CD2 LEU A 57 -0.788 1.386 -33.044 1.00 1.00 C ATOM 0 H LEU A 57 -1.834 -1.397 -31.011 1.00 1.00 H new ATOM 0 HA LEU A 57 -1.061 -1.138 -33.665 1.00 1.00 H new ATOM 0 HB2 LEU A 57 0.569 -1.107 -31.101 1.00 1.00 H new ATOM 0 HB3 LEU A 57 1.173 -0.566 -32.655 1.00 1.00 H new ATOM 0 HG LEU A 57 -1.085 0.668 -31.057 1.00 1.00 H new ATOM 0 HD11 LEU A 57 0.422 2.613 -30.950 1.00 1.00 H new ATOM 0 HD12 LEU A 57 1.151 1.170 -30.205 1.00 1.00 H new ATOM 0 HD13 LEU A 57 1.667 1.691 -31.827 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -1.163 2.385 -32.824 1.00 1.00 H new ATOM 0 HD22 LEU A 57 0.017 1.453 -33.776 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -1.596 0.776 -33.448 1.00 1.00 H new ATOM 272 N LEU A 58 0.235 -3.773 -32.164 1.00 1.00 N ATOM 273 CA LEU A 58 0.920 -5.039 -32.400 1.00 1.00 C ATOM 274 C LEU A 58 0.249 -5.819 -33.526 1.00 1.00 C ATOM 275 O LEU A 58 0.908 -6.265 -34.465 1.00 1.00 O ATOM 276 CB LEU A 58 0.937 -5.879 -31.122 1.00 1.00 C ATOM 277 CG LEU A 58 2.138 -5.671 -30.199 1.00 1.00 C ATOM 278 CD1 LEU A 58 1.966 -6.465 -28.913 1.00 1.00 C ATOM 279 CD2 LEU A 58 3.427 -6.066 -30.904 1.00 1.00 C ATOM 0 H LEU A 58 -0.071 -3.633 -31.201 1.00 1.00 H new ATOM 0 HA LEU A 58 1.946 -4.819 -32.696 1.00 1.00 H new ATOM 0 HB2 LEU A 58 0.029 -5.665 -30.558 1.00 1.00 H new ATOM 0 HB3 LEU A 58 0.897 -6.932 -31.402 1.00 1.00 H new ATOM 0 HG LEU A 58 2.197 -4.613 -29.943 1.00 1.00 H new ATOM 0 HD11 LEU A 58 2.830 -6.305 -28.268 1.00 1.00 H new ATOM 0 HD12 LEU A 58 1.064 -6.134 -28.399 1.00 1.00 H new ATOM 0 HD13 LEU A 58 1.881 -7.526 -29.149 1.00 1.00 H new ATOM 0 HD21 LEU A 58 4.271 -5.911 -30.232 1.00 1.00 H new ATOM 0 HD22 LEU A 58 3.378 -7.117 -31.190 1.00 1.00 H new ATOM 0 HD23 LEU A 58 3.556 -5.453 -31.796 1.00 1.00 H new ATOM 291 N VAL A 59 -1.067 -5.979 -33.426 1.00 1.00 N ATOM 292 CA VAL A 59 -1.829 -6.701 -34.438 1.00 1.00 C ATOM 293 C VAL A 59 -1.816 -5.958 -35.770 1.00 1.00 C ATOM 294 O VAL A 59 -1.567 -6.550 -36.820 1.00 1.00 O ATOM 295 CB VAL A 59 -3.288 -6.915 -33.996 1.00 1.00 C ATOM 296 CG1 VAL A 59 -4.009 -7.842 -34.962 1.00 1.00 C ATOM 297 CG2 VAL A 59 -3.340 -7.465 -32.578 1.00 1.00 C ATOM 0 H VAL A 59 -1.628 -5.618 -32.654 1.00 1.00 H new ATOM 0 HA VAL A 59 -1.349 -7.672 -34.562 1.00 1.00 H new ATOM 0 HB VAL A 59 -3.797 -5.951 -34.007 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -5.039 -7.981 -34.633 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -4.003 -7.403 -35.960 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -3.503 -8.807 -34.987 1.00 1.00 H new ATOM 0 HG21 VAL A 59 -4.379 -7.610 -32.282 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -2.815 -8.419 -32.538 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -2.864 -6.760 -31.897 1.00 1.00 H new ATOM 307 N VAL A 60 -2.087 -4.658 -35.718 1.00 1.00 N ATOM 308 CA VAL A 60 -2.105 -3.833 -36.920 1.00 1.00 C ATOM 309 C VAL A 60 -0.793 -3.950 -37.688 1.00 1.00 C ATOM 310 O VAL A 60 -0.781 -4.310 -38.864 1.00 1.00 O ATOM 311 CB VAL A 60 -2.358 -2.352 -36.580 1.00 1.00 C ATOM 312 CG1 VAL A 60 -2.337 -1.503 -37.842 1.00 1.00 C ATOM 313 CG2 VAL A 60 -3.678 -2.193 -35.842 1.00 1.00 C ATOM 0 H VAL A 60 -2.297 -4.153 -34.857 1.00 1.00 H new ATOM 0 HA VAL A 60 -2.921 -4.200 -37.543 1.00 1.00 H new ATOM 0 HB VAL A 60 -1.558 -2.006 -35.925 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -2.518 -0.460 -37.582 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -1.364 -1.593 -38.325 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -3.114 -1.846 -38.525 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -3.841 -1.141 -35.610 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -4.492 -2.556 -36.470 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -3.649 -2.768 -34.917 1.00 1.00 H new ATOM 323 N ALA A 61 0.310 -3.644 -37.013 1.00 1.00 N ATOM 324 CA ALA A 61 1.628 -3.717 -37.631 1.00 1.00 C ATOM 325 C ALA A 61 1.953 -5.143 -38.064 1.00 1.00 C ATOM 326 O ALA A 61 2.630 -5.358 -39.070 1.00 1.00 O ATOM 327 CB ALA A 61 2.690 -3.200 -36.672 1.00 1.00 C ATOM 0 H ALA A 61 0.317 -3.343 -36.038 1.00 1.00 H new ATOM 0 HA ALA A 61 1.620 -3.088 -38.521 1.00 1.00 H new ATOM 0 HB1 ALA A 61 3.669 -3.260 -37.147 1.00 1.00 H new ATOM 0 HB2 ALA A 61 2.475 -2.163 -36.415 1.00 1.00 H new ATOM 0 HB3 ALA A 61 2.688 -3.806 -35.766 1.00 1.00 H new ATOM 333 N LEU A 62 1.468 -6.114 -37.298 1.00 1.00 N ATOM 334 CA LEU A 62 1.707 -7.520 -37.603 1.00 1.00 C ATOM 335 C LEU A 62 1.042 -7.913 -38.918 1.00 1.00 C ATOM 336 O LEU A 62 1.710 -8.332 -39.863 1.00 1.00 O ATOM 337 CB LEU A 62 1.184 -8.404 -36.470 1.00 1.00 C ATOM 338 CG LEU A 62 2.178 -8.721 -35.352 1.00 1.00 C ATOM 339 CD1 LEU A 62 1.481 -9.435 -34.204 1.00 1.00 C ATOM 340 CD2 LEU A 62 3.330 -9.560 -35.884 1.00 1.00 C ATOM 0 H LEU A 62 0.907 -5.953 -36.461 1.00 1.00 H new ATOM 0 HA LEU A 62 2.782 -7.667 -37.703 1.00 1.00 H new ATOM 0 HB2 LEU A 62 0.314 -7.917 -36.028 1.00 1.00 H new ATOM 0 HB3 LEU A 62 0.839 -9.345 -36.900 1.00 1.00 H new ATOM 0 HG LEU A 62 2.583 -7.782 -34.976 1.00 1.00 H new ATOM 0 HD11 LEU A 62 2.204 -9.652 -33.418 1.00 1.00 H new ATOM 0 HD12 LEU A 62 0.692 -8.798 -33.805 1.00 1.00 H new ATOM 0 HD13 LEU A 62 1.047 -10.367 -34.565 1.00 1.00 H new ATOM 0 HD21 LEU A 62 4.027 -9.776 -35.074 1.00 1.00 H new ATOM 0 HD22 LEU A 62 2.943 -10.495 -36.288 1.00 1.00 H new ATOM 0 HD23 LEU A 62 3.847 -9.011 -36.671 1.00 1.00 H new ATOM 352 N GLY A 63 -0.279 -7.773 -38.973 1.00 1.00 N ATOM 353 CA GLY A 63 -1.013 -8.114 -40.178 1.00 1.00 C ATOM 354 C GLY A 63 -0.446 -7.440 -41.411 1.00 1.00 C ATOM 355 O GLY A 63 -0.239 -8.085 -42.439 1.00 1.00 O ATOM 0 H GLY A 63 -0.854 -7.429 -38.204 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -0.995 -9.195 -40.317 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -2.057 -7.826 -40.058 1.00 1.00 H new ATOM 359 N ILE A 64 -0.197 -6.138 -41.310 1.00 1.00 N ATOM 360 CA ILE A 64 0.347 -5.376 -42.428 1.00 1.00 C ATOM 361 C ILE A 64 1.771 -5.815 -42.751 1.00 1.00 C ATOM 362 O ILE A 64 2.138 -5.958 -43.917 1.00 1.00 O ATOM 363 CB ILE A 64 0.342 -3.865 -42.133 1.00 1.00 C ATOM 364 CG1 ILE A 64 -1.080 -3.386 -41.834 1.00 1.00 C ATOM 365 CG2 ILE A 64 0.930 -3.095 -43.307 1.00 1.00 C ATOM 366 CD1 ILE A 64 -1.149 -1.946 -41.376 1.00 1.00 C ATOM 0 H ILE A 64 -0.363 -5.589 -40.466 1.00 1.00 H new ATOM 0 HA ILE A 64 -0.295 -5.573 -43.287 1.00 1.00 H new ATOM 0 HB ILE A 64 0.960 -3.679 -41.255 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -1.690 -3.504 -42.730 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -1.516 -4.024 -41.065 1.00 1.00 H new ATOM 0 HG21 ILE A 64 0.920 -2.028 -43.084 1.00 1.00 H new ATOM 0 HG22 ILE A 64 1.956 -3.420 -43.478 1.00 1.00 H new ATOM 0 HG23 ILE A 64 0.336 -3.284 -44.201 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -2.187 -1.675 -41.182 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -0.566 -1.826 -40.463 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -0.744 -1.297 -42.153 1.00 1.00 H new ATOM 378 N GLY A 65 2.569 -6.030 -41.710 1.00 1.00 N ATOM 379 CA GLY A 65 3.944 -6.453 -41.904 1.00 1.00 C ATOM 380 C GLY A 65 4.044 -7.800 -42.593 1.00 1.00 C ATOM 381 O GLY A 65 4.796 -7.958 -43.556 1.00 1.00 O ATOM 0 H GLY A 65 2.288 -5.919 -40.736 1.00 1.00 H new ATOM 0 HA2 GLY A 65 4.471 -5.705 -42.497 1.00 1.00 H new ATOM 0 HA3 GLY A 65 4.445 -6.505 -40.937 1.00 1.00 H new ATOM 385 N LEU A 66 3.287 -8.773 -42.099 1.00 1.00 N ATOM 386 CA LEU A 66 3.294 -10.114 -42.673 1.00 1.00 C ATOM 387 C LEU A 66 2.751 -10.098 -44.099 1.00 1.00 C ATOM 388 O LEU A 66 3.167 -10.894 -44.941 1.00 1.00 O ATOM 389 CB LEU A 66 2.462 -11.064 -41.810 1.00 1.00 C ATOM 390 CG LEU A 66 3.165 -11.642 -40.581 1.00 1.00 C ATOM 391 CD1 LEU A 66 2.155 -11.965 -39.491 1.00 1.00 C ATOM 392 CD2 LEU A 66 3.961 -12.884 -40.956 1.00 1.00 C ATOM 0 H LEU A 66 2.660 -8.659 -41.302 1.00 1.00 H new ATOM 0 HA LEU A 66 4.325 -10.466 -42.699 1.00 1.00 H new ATOM 0 HB2 LEU A 66 1.570 -10.534 -41.478 1.00 1.00 H new ATOM 0 HB3 LEU A 66 2.127 -11.892 -42.435 1.00 1.00 H new ATOM 0 HG LEU A 66 3.857 -10.893 -40.197 1.00 1.00 H new ATOM 0 HD11 LEU A 66 2.674 -12.375 -38.624 1.00 1.00 H new ATOM 0 HD12 LEU A 66 1.628 -11.055 -39.202 1.00 1.00 H new ATOM 0 HD13 LEU A 66 1.438 -12.696 -39.864 1.00 1.00 H new ATOM 0 HD21 LEU A 66 4.454 -13.281 -40.069 1.00 1.00 H new ATOM 0 HD22 LEU A 66 3.288 -13.638 -41.365 1.00 1.00 H new ATOM 0 HD23 LEU A 66 4.711 -12.624 -41.703 1.00 1.00 H new ATOM 404 N PHE A 67 1.823 -9.185 -44.363 1.00 1.00 N ATOM 405 CA PHE A 67 1.224 -9.064 -45.687 1.00 1.00 C ATOM 406 C PHE A 67 2.195 -8.409 -46.665 1.00 1.00 C ATOM 407 O PHE A 67 2.376 -8.882 -47.787 1.00 1.00 O ATOM 408 CB PHE A 67 -0.069 -8.250 -45.613 1.00 1.00 C ATOM 409 CG PHE A 67 -1.030 -8.548 -46.728 1.00 1.00 C ATOM 410 CD1 PHE A 67 -1.677 -9.772 -46.794 1.00 1.00 C ATOM 411 CD2 PHE A 67 -1.287 -7.605 -47.710 1.00 1.00 C ATOM 412 CE1 PHE A 67 -2.561 -10.049 -47.819 1.00 1.00 C ATOM 413 CE2 PHE A 67 -2.170 -7.877 -48.738 1.00 1.00 C ATOM 414 CZ PHE A 67 -2.809 -9.100 -48.792 1.00 1.00 C ATOM 0 H PHE A 67 1.469 -8.518 -43.678 1.00 1.00 H new ATOM 0 HA PHE A 67 0.994 -10.067 -46.047 1.00 1.00 H new ATOM 0 HB2 PHE A 67 -0.559 -8.447 -44.659 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.178 -7.188 -45.631 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -1.488 -10.517 -46.036 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -0.792 -6.646 -47.672 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -3.058 -11.007 -47.860 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -2.360 -7.134 -49.498 1.00 1.00 H new ATOM 0 HZ PHE A 67 -3.501 -9.314 -49.593 1.00 1.00 H new ATOM 424 N MET A 68 2.818 -7.318 -46.231 1.00 1.00 N ATOM 425 CA MET A 68 3.771 -6.599 -47.067 1.00 1.00 C ATOM 426 C MET A 68 5.065 -7.392 -47.223 1.00 1.00 C ATOM 427 O MET A 68 5.923 -7.045 -48.034 1.00 1.00 O ATOM 428 CB MET A 68 4.071 -5.223 -46.468 1.00 1.00 C ATOM 429 CG MET A 68 2.830 -4.379 -46.233 1.00 1.00 C ATOM 430 SD MET A 68 2.376 -3.394 -47.674 1.00 1.00 S ATOM 431 CE MET A 68 0.589 -3.463 -47.583 1.00 1.00 C ATOM 0 H MET A 68 2.680 -6.913 -45.305 1.00 1.00 H new ATOM 0 HA MET A 68 3.325 -6.469 -48.053 1.00 1.00 H new ATOM 0 HB2 MET A 68 4.596 -5.354 -45.522 1.00 1.00 H new ATOM 0 HB3 MET A 68 4.745 -4.685 -47.134 1.00 1.00 H new ATOM 0 HG2 MET A 68 1.998 -5.030 -45.966 1.00 1.00 H new ATOM 0 HG3 MET A 68 3.001 -3.717 -45.384 1.00 1.00 H new ATOM 0 HE1 MET A 68 0.160 -2.898 -48.411 1.00 1.00 H new ATOM 0 HE2 MET A 68 0.261 -4.501 -47.644 1.00 1.00 H new ATOM 0 HE3 MET A 68 0.256 -3.032 -46.639 1.00 1.00 H new ATOM 441 N ARG A 69 5.198 -8.457 -46.440 1.00 1.00 N ATOM 442 CA ARG A 69 6.388 -9.299 -46.491 1.00 1.00 C ATOM 443 C ARG A 69 6.271 -10.339 -47.601 1.00 1.00 C ATOM 444 O ARG A 69 7.228 -11.054 -47.898 1.00 1.00 O ATOM 445 CB ARG A 69 6.604 -9.995 -45.146 1.00 1.00 C ATOM 446 CG ARG A 69 7.407 -9.170 -44.154 1.00 1.00 C ATOM 447 CD ARG A 69 7.216 -9.668 -42.730 1.00 1.00 C ATOM 448 NE ARG A 69 7.653 -11.052 -42.572 1.00 1.00 N ATOM 449 CZ ARG A 69 7.671 -11.688 -41.405 1.00 1.00 C ATOM 450 NH1 ARG A 69 7.278 -11.067 -40.302 1.00 1.00 N ATOM 451 NH2 ARG A 69 8.082 -12.948 -41.342 1.00 1.00 N ATOM 0 H ARG A 69 4.497 -8.758 -45.763 1.00 1.00 H new ATOM 0 HA ARG A 69 7.245 -8.661 -46.704 1.00 1.00 H new ATOM 0 HB2 ARG A 69 5.634 -10.230 -44.708 1.00 1.00 H new ATOM 0 HB3 ARG A 69 7.115 -10.943 -45.315 1.00 1.00 H new ATOM 0 HG2 ARG A 69 8.464 -9.212 -44.416 1.00 1.00 H new ATOM 0 HG3 ARG A 69 7.104 -8.125 -44.219 1.00 1.00 H new ATOM 0 HD2 ARG A 69 7.775 -9.031 -42.045 1.00 1.00 H new ATOM 0 HD3 ARG A 69 6.164 -9.586 -42.455 1.00 1.00 H new ATOM 0 HE ARG A 69 7.961 -11.558 -43.402 1.00 1.00 H new ATOM 0 HH11 ARG A 69 6.961 -10.099 -40.347 1.00 1.00 H new ATOM 0 HH12 ARG A 69 7.293 -11.557 -39.408 1.00 1.00 H new ATOM 0 HH21 ARG A 69 8.384 -13.429 -42.189 1.00 1.00 H new ATOM 0 HH22 ARG A 69 8.096 -13.436 -40.446 1.00 1.00 H new ATOM 465 N ARG A 70 5.092 -10.417 -48.210 1.00 1.00 N ATOM 466 CA ARG A 70 4.850 -11.370 -49.286 1.00 1.00 C ATOM 467 C ARG A 70 4.513 -10.648 -50.587 1.00 1.00 C ATOM 468 O ARG A 70 4.980 -11.031 -51.660 1.00 1.00 O ATOM 469 CB ARG A 70 3.711 -12.319 -48.907 1.00 1.00 C ATOM 470 CG ARG A 70 3.863 -12.933 -47.525 1.00 1.00 C ATOM 471 CD ARG A 70 2.966 -14.149 -47.353 1.00 1.00 C ATOM 472 NE ARG A 70 3.442 -15.034 -46.294 1.00 1.00 N ATOM 473 CZ ARG A 70 2.739 -16.056 -45.819 1.00 1.00 C ATOM 474 NH1 ARG A 70 1.535 -16.321 -46.308 1.00 1.00 N ATOM 475 NH2 ARG A 70 3.240 -16.817 -44.854 1.00 1.00 N ATOM 0 H ARG A 70 4.290 -9.832 -47.976 1.00 1.00 H new ATOM 0 HA ARG A 70 5.761 -11.948 -49.438 1.00 1.00 H new ATOM 0 HB2 ARG A 70 2.767 -11.776 -48.952 1.00 1.00 H new ATOM 0 HB3 ARG A 70 3.654 -13.118 -49.646 1.00 1.00 H new ATOM 0 HG2 ARG A 70 4.902 -13.221 -47.366 1.00 1.00 H new ATOM 0 HG3 ARG A 70 3.619 -12.189 -46.767 1.00 1.00 H new ATOM 0 HD2 ARG A 70 1.952 -13.822 -47.124 1.00 1.00 H new ATOM 0 HD3 ARG A 70 2.918 -14.700 -48.292 1.00 1.00 H new ATOM 0 HE ARG A 70 4.365 -14.858 -45.897 1.00 1.00 H new ATOM 0 HH11 ARG A 70 1.147 -15.739 -47.051 1.00 1.00 H new ATOM 0 HH12 ARG A 70 0.997 -17.106 -45.941 1.00 1.00 H new ATOM 0 HH21 ARG A 70 4.166 -16.617 -44.476 1.00 1.00 H new ATOM 0 HH22 ARG A 70 2.699 -17.601 -44.490 1.00 1.00 H new ATOM 489 N ARG A 71 3.699 -9.603 -50.484 1.00 1.00 N ATOM 490 CA ARG A 71 3.299 -8.828 -51.653 1.00 1.00 C ATOM 491 C ARG A 71 4.509 -8.171 -52.310 1.00 1.00 C ATOM 492 O ARG A 71 4.558 -8.016 -53.531 1.00 1.00 O ATOM 493 CB ARG A 71 2.277 -7.760 -51.257 1.00 1.00 C ATOM 494 CG ARG A 71 0.836 -8.234 -51.344 1.00 1.00 C ATOM 495 CD ARG A 71 0.404 -8.442 -52.787 1.00 1.00 C ATOM 496 NE ARG A 71 -1.027 -8.212 -52.968 1.00 1.00 N ATOM 497 CZ ARG A 71 -1.585 -7.006 -52.956 1.00 1.00 C ATOM 498 NH1 ARG A 71 -0.836 -5.927 -52.771 1.00 1.00 N ATOM 499 NH2 ARG A 71 -2.894 -6.877 -53.128 1.00 1.00 N ATOM 0 H ARG A 71 3.303 -9.273 -49.604 1.00 1.00 H new ATOM 0 HA ARG A 71 2.843 -9.509 -52.371 1.00 1.00 H new ATOM 0 HB2 ARG A 71 2.482 -7.433 -50.238 1.00 1.00 H new ATOM 0 HB3 ARG A 71 2.404 -6.891 -51.902 1.00 1.00 H new ATOM 0 HG2 ARG A 71 0.725 -9.167 -50.792 1.00 1.00 H new ATOM 0 HG3 ARG A 71 0.182 -7.503 -50.869 1.00 1.00 H new ATOM 0 HD2 ARG A 71 0.964 -7.767 -53.434 1.00 1.00 H new ATOM 0 HD3 ARG A 71 0.650 -9.458 -53.096 1.00 1.00 H new ATOM 0 HE ARG A 71 -1.631 -9.021 -53.111 1.00 1.00 H new ATOM 0 HH11 ARG A 71 0.171 -6.022 -52.638 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -1.267 -5.002 -52.762 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -3.474 -7.704 -53.270 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -3.321 -5.951 -53.119 1.00 1.00 H new ATOM 513 N HIS A 72 5.484 -7.787 -51.492 1.00 1.00 N ATOM 514 CA HIS A 72 6.694 -7.145 -51.994 1.00 1.00 C ATOM 515 C HIS A 72 7.652 -8.177 -52.582 1.00 1.00 C ATOM 516 O HIS A 72 8.591 -7.829 -53.298 1.00 1.00 O ATOM 517 CB HIS A 72 7.387 -6.368 -50.874 1.00 1.00 C ATOM 518 CG HIS A 72 6.938 -4.943 -50.768 1.00 1.00 C ATOM 519 ND1 HIS A 72 7.561 -3.906 -51.431 1.00 1.00 N ATOM 520 CD2 HIS A 72 5.920 -4.385 -50.073 1.00 1.00 C ATOM 521 CE1 HIS A 72 6.947 -2.772 -51.146 1.00 1.00 C ATOM 522 NE2 HIS A 72 5.947 -3.035 -50.324 1.00 1.00 N ATOM 0 H HIS A 72 5.460 -7.909 -50.480 1.00 1.00 H new ATOM 0 HA HIS A 72 6.407 -6.450 -52.783 1.00 1.00 H new ATOM 0 HB2 HIS A 72 7.201 -6.871 -49.925 1.00 1.00 H new ATOM 0 HB3 HIS A 72 8.464 -6.390 -51.040 1.00 1.00 H new ATOM 0 HD2 HIS A 72 5.217 -4.905 -49.439 1.00 1.00 H new ATOM 0 HE1 HIS A 72 7.217 -1.796 -51.521 1.00 1.00 H new ATOM 0 HE2 HIS A 72 5.300 -2.347 -49.938 1.00 1.00 H new ATOM 530 N ILE A 73 7.410 -9.446 -52.272 1.00 1.00 N ATOM 531 CA ILE A 73 8.252 -10.527 -52.769 1.00 1.00 C ATOM 532 C ILE A 73 8.082 -10.710 -54.273 1.00 1.00 C ATOM 533 O ILE A 73 8.964 -11.239 -54.949 1.00 1.00 O ATOM 534 CB ILE A 73 7.934 -11.858 -52.063 1.00 1.00 C ATOM 535 CG1 ILE A 73 8.129 -11.718 -50.551 1.00 1.00 C ATOM 536 CG2 ILE A 73 8.810 -12.973 -52.614 1.00 1.00 C ATOM 537 CD1 ILE A 73 9.563 -11.453 -50.149 1.00 1.00 C ATOM 0 H ILE A 73 6.638 -9.751 -51.679 1.00 1.00 H new ATOM 0 HA ILE A 73 9.283 -10.247 -52.554 1.00 1.00 H new ATOM 0 HB ILE A 73 6.892 -12.113 -52.254 1.00 1.00 H new ATOM 0 HG12 ILE A 73 7.502 -10.905 -50.186 1.00 1.00 H new ATOM 0 HG13 ILE A 73 7.786 -12.630 -50.063 1.00 1.00 H new ATOM 0 HG21 ILE A 73 8.573 -13.907 -52.105 1.00 1.00 H new ATOM 0 HG22 ILE A 73 8.627 -13.086 -53.683 1.00 1.00 H new ATOM 0 HG23 ILE A 73 9.859 -12.726 -52.450 1.00 1.00 H new ATOM 0 HD11 ILE A 73 9.627 -11.365 -49.064 1.00 1.00 H new ATOM 0 HD12 ILE A 73 10.193 -12.277 -50.484 1.00 1.00 H new ATOM 0 HD13 ILE A 73 9.904 -10.525 -50.609 1.00 1.00 H new ATOM 549 N VAL A 74 6.941 -10.267 -54.793 1.00 1.00 N ATOM 550 CA VAL A 74 6.656 -10.377 -56.218 1.00 1.00 C ATOM 551 C VAL A 74 7.589 -9.490 -57.035 1.00 1.00 C ATOM 552 O VAL A 74 8.161 -8.531 -56.518 1.00 1.00 O ATOM 553 CB VAL A 74 5.197 -9.994 -56.531 1.00 1.00 C ATOM 554 CG1 VAL A 74 4.826 -10.412 -57.945 1.00 1.00 C ATOM 555 CG2 VAL A 74 4.253 -10.621 -55.516 1.00 1.00 C ATOM 0 H VAL A 74 6.199 -9.828 -54.248 1.00 1.00 H new ATOM 0 HA VAL A 74 6.817 -11.419 -56.493 1.00 1.00 H new ATOM 0 HB VAL A 74 5.101 -8.910 -56.462 1.00 1.00 H new ATOM 0 HG11 VAL A 74 3.792 -10.133 -58.147 1.00 1.00 H new ATOM 0 HG12 VAL A 74 5.483 -9.911 -58.657 1.00 1.00 H new ATOM 0 HG13 VAL A 74 4.937 -11.492 -58.046 1.00 1.00 H new ATOM 0 HG21 VAL A 74 3.227 -10.340 -55.752 1.00 1.00 H new ATOM 0 HG22 VAL A 74 4.350 -11.706 -55.551 1.00 1.00 H new ATOM 0 HG23 VAL A 74 4.506 -10.266 -54.517 1.00 1.00 H new ATOM 565 N ARG A 75 7.737 -9.817 -58.315 1.00 1.00 N ATOM 566 CA ARG A 75 8.601 -9.051 -59.204 1.00 1.00 C ATOM 567 C ARG A 75 8.352 -7.554 -59.048 1.00 1.00 C ATOM 568 O ARG A 75 7.325 -7.035 -59.486 1.00 1.00 O ATOM 569 CB ARG A 75 8.371 -9.468 -60.658 1.00 1.00 C ATOM 570 CG ARG A 75 9.104 -10.741 -61.050 1.00 1.00 C ATOM 571 CD ARG A 75 8.425 -11.974 -60.475 1.00 1.00 C ATOM 572 NE ARG A 75 7.021 -12.059 -60.868 1.00 1.00 N ATOM 573 CZ ARG A 75 6.619 -12.376 -62.094 1.00 1.00 C ATOM 574 NH1 ARG A 75 7.510 -12.638 -63.040 1.00 1.00 N ATOM 575 NH2 ARG A 75 5.323 -12.434 -62.375 1.00 1.00 N ATOM 0 H ARG A 75 7.269 -10.607 -58.759 1.00 1.00 H new ATOM 0 HA ARG A 75 9.636 -9.260 -58.932 1.00 1.00 H new ATOM 0 HB2 ARG A 75 7.303 -9.609 -60.822 1.00 1.00 H new ATOM 0 HB3 ARG A 75 8.690 -8.658 -61.314 1.00 1.00 H new ATOM 0 HG2 ARG A 75 9.144 -10.819 -62.136 1.00 1.00 H new ATOM 0 HG3 ARG A 75 10.134 -10.693 -60.696 1.00 1.00 H new ATOM 0 HD2 ARG A 75 8.950 -12.868 -60.812 1.00 1.00 H new ATOM 0 HD3 ARG A 75 8.496 -11.953 -59.388 1.00 1.00 H new ATOM 0 HE ARG A 75 6.310 -11.864 -60.163 1.00 1.00 H new ATOM 0 HH11 ARG A 75 8.507 -12.596 -62.827 1.00 1.00 H new ATOM 0 HH12 ARG A 75 7.199 -12.881 -63.980 1.00 1.00 H new ATOM 0 HH21 ARG A 75 4.634 -12.235 -61.649 1.00 1.00 H new ATOM 0 HH22 ARG A 75 5.016 -12.677 -63.317 1.00 1.00 H new ATOM 589 N LYS A 76 9.298 -6.864 -58.420 1.00 1.00 N ATOM 590 CA LYS A 76 9.183 -5.426 -58.206 1.00 1.00 C ATOM 591 C LYS A 76 9.119 -4.682 -59.536 1.00 1.00 C ATOM 592 O LYS A 76 8.662 -3.540 -59.597 1.00 1.00 O ATOM 593 CB LYS A 76 10.367 -4.916 -57.381 1.00 1.00 C ATOM 594 CG LYS A 76 10.185 -5.094 -55.883 1.00 1.00 C ATOM 595 CD LYS A 76 10.282 -6.555 -55.479 1.00 1.00 C ATOM 596 CE LYS A 76 11.102 -6.729 -54.209 1.00 1.00 C ATOM 597 NZ LYS A 76 12.563 -6.628 -54.474 1.00 1.00 N ATOM 0 H LYS A 76 10.154 -7.278 -58.050 1.00 1.00 H new ATOM 0 HA LYS A 76 8.259 -5.238 -57.659 1.00 1.00 H new ATOM 0 HB2 LYS A 76 11.270 -5.440 -57.694 1.00 1.00 H new ATOM 0 HB3 LYS A 76 10.521 -3.859 -57.597 1.00 1.00 H new ATOM 0 HG2 LYS A 76 10.943 -4.518 -55.353 1.00 1.00 H new ATOM 0 HG3 LYS A 76 9.215 -4.696 -55.584 1.00 1.00 H new ATOM 0 HD2 LYS A 76 9.281 -6.958 -55.325 1.00 1.00 H new ATOM 0 HD3 LYS A 76 10.736 -7.128 -56.288 1.00 1.00 H new ATOM 0 HE2 LYS A 76 10.811 -5.970 -53.482 1.00 1.00 H new ATOM 0 HE3 LYS A 76 10.880 -7.699 -53.763 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 13.087 -6.752 -53.584 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 12.846 -7.368 -55.148 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 12.779 -5.693 -54.876 1.00 1.00 H new ATOM 611 N ARG A 77 9.578 -5.336 -60.598 1.00 1.00 N ATOM 612 CA ARG A 77 9.574 -4.735 -61.926 1.00 1.00 C ATOM 613 C ARG A 77 8.173 -4.263 -62.305 1.00 1.00 C ATOM 614 O ARG A 77 8.010 -3.255 -62.994 1.00 1.00 O ATOM 615 CB ARG A 77 10.084 -5.736 -62.964 1.00 1.00 C ATOM 616 CG ARG A 77 11.586 -5.668 -63.189 1.00 1.00 C ATOM 617 CD ARG A 77 11.964 -6.154 -64.579 1.00 1.00 C ATOM 618 NE ARG A 77 13.328 -6.674 -64.625 1.00 1.00 N ATOM 619 CZ ARG A 77 13.703 -7.806 -64.040 1.00 1.00 C ATOM 620 NH1 ARG A 77 12.821 -8.533 -63.368 1.00 1.00 N ATOM 621 NH2 ARG A 77 14.963 -8.213 -64.127 1.00 1.00 N ATOM 0 H ARG A 77 9.957 -6.282 -60.564 1.00 1.00 H new ATOM 0 HA ARG A 77 10.238 -3.871 -61.908 1.00 1.00 H new ATOM 0 HB2 ARG A 77 9.818 -6.744 -62.646 1.00 1.00 H new ATOM 0 HB3 ARG A 77 9.575 -5.556 -63.911 1.00 1.00 H new ATOM 0 HG2 ARG A 77 11.929 -4.642 -63.056 1.00 1.00 H new ATOM 0 HG3 ARG A 77 12.095 -6.274 -62.440 1.00 1.00 H new ATOM 0 HD2 ARG A 77 11.269 -6.933 -64.892 1.00 1.00 H new ATOM 0 HD3 ARG A 77 11.865 -5.333 -65.289 1.00 1.00 H new ATOM 0 HE ARG A 77 14.031 -6.139 -65.134 1.00 1.00 H new ATOM 0 HH11 ARG A 77 11.852 -8.223 -63.299 1.00 1.00 H new ATOM 0 HH12 ARG A 77 13.112 -9.402 -62.920 1.00 1.00 H new ATOM 0 HH21 ARG A 77 15.644 -7.656 -64.643 1.00 1.00 H new ATOM 0 HH22 ARG A 77 15.250 -9.082 -63.678 1.00 1.00 H new ATOM 635 N THR A 78 7.163 -4.999 -61.850 1.00 1.00 N ATOM 636 CA THR A 78 5.777 -4.657 -62.142 1.00 1.00 C ATOM 637 C THR A 78 5.482 -3.204 -61.785 1.00 1.00 C ATOM 638 O THR A 78 4.663 -2.549 -62.431 1.00 1.00 O ATOM 639 CB THR A 78 4.800 -5.570 -61.377 1.00 1.00 C ATOM 640 OG1 THR A 78 3.452 -5.270 -61.754 1.00 1.00 O ATOM 641 CG2 THR A 78 4.962 -5.397 -59.874 1.00 1.00 C ATOM 0 H THR A 78 7.280 -5.835 -61.278 1.00 1.00 H new ATOM 0 HA THR A 78 5.635 -4.801 -63.213 1.00 1.00 H new ATOM 0 HB THR A 78 5.027 -6.605 -61.634 1.00 1.00 H new ATOM 0 HG1 THR A 78 2.837 -5.856 -61.264 1.00 1.00 H new ATOM 0 HG21 THR A 78 4.262 -6.052 -59.355 1.00 1.00 H new ATOM 0 HG22 THR A 78 5.981 -5.654 -59.586 1.00 1.00 H new ATOM 0 HG23 THR A 78 4.759 -4.361 -59.603 1.00 1.00 H new ATOM 649 N LEU A 79 6.154 -2.706 -60.753 1.00 1.00 N ATOM 650 CA LEU A 79 5.964 -1.329 -60.310 1.00 1.00 C ATOM 651 C LEU A 79 6.528 -0.346 -61.332 1.00 1.00 C ATOM 652 O LEU A 79 5.972 0.733 -61.542 1.00 1.00 O ATOM 653 CB LEU A 79 6.635 -1.112 -58.953 1.00 1.00 C ATOM 654 CG LEU A 79 5.859 -1.611 -57.733 1.00 1.00 C ATOM 655 CD1 LEU A 79 5.743 -3.127 -57.758 1.00 1.00 C ATOM 656 CD2 LEU A 79 6.529 -1.146 -56.448 1.00 1.00 C ATOM 0 H LEU A 79 6.835 -3.235 -60.208 1.00 1.00 H new ATOM 0 HA LEU A 79 4.893 -1.149 -60.212 1.00 1.00 H new ATOM 0 HB2 LEU A 79 7.607 -1.606 -58.967 1.00 1.00 H new ATOM 0 HB3 LEU A 79 6.821 -0.045 -58.829 1.00 1.00 H new ATOM 0 HG LEU A 79 4.854 -1.190 -57.768 1.00 1.00 H new ATOM 0 HD11 LEU A 79 5.188 -3.464 -56.882 1.00 1.00 H new ATOM 0 HD12 LEU A 79 5.218 -3.437 -58.662 1.00 1.00 H new ATOM 0 HD13 LEU A 79 6.740 -3.568 -57.748 1.00 1.00 H new ATOM 0 HD21 LEU A 79 5.963 -1.510 -55.590 1.00 1.00 H new ATOM 0 HD22 LEU A 79 7.545 -1.538 -56.405 1.00 1.00 H new ATOM 0 HD23 LEU A 79 6.559 -0.057 -56.427 1.00 1.00 H new ATOM 668 N ARG A 80 7.632 -0.727 -61.965 1.00 1.00 N ATOM 669 CA ARG A 80 8.269 0.120 -62.966 1.00 1.00 C ATOM 670 C ARG A 80 7.435 0.175 -64.242 1.00 1.00 C ATOM 671 O ARG A 80 7.302 1.230 -64.864 1.00 1.00 O ATOM 672 CB ARG A 80 9.673 -0.399 -63.284 1.00 1.00 C ATOM 673 CG ARG A 80 10.719 0.006 -62.259 1.00 1.00 C ATOM 674 CD ARG A 80 11.105 1.470 -62.405 1.00 1.00 C ATOM 675 NE ARG A 80 11.668 2.013 -61.171 1.00 1.00 N ATOM 676 CZ ARG A 80 12.268 3.196 -61.096 1.00 1.00 C ATOM 677 NH1 ARG A 80 12.382 3.955 -62.177 1.00 1.00 N ATOM 678 NH2 ARG A 80 12.755 3.622 -59.937 1.00 1.00 N ATOM 0 H ARG A 80 8.104 -1.616 -61.803 1.00 1.00 H new ATOM 0 HA ARG A 80 8.345 1.128 -62.558 1.00 1.00 H new ATOM 0 HB2 ARG A 80 9.643 -1.487 -63.349 1.00 1.00 H new ATOM 0 HB3 ARG A 80 9.975 -0.029 -64.264 1.00 1.00 H new ATOM 0 HG2 ARG A 80 10.334 -0.171 -61.255 1.00 1.00 H new ATOM 0 HG3 ARG A 80 11.605 -0.618 -62.375 1.00 1.00 H new ATOM 0 HD2 ARG A 80 11.831 1.575 -63.212 1.00 1.00 H new ATOM 0 HD3 ARG A 80 10.227 2.050 -62.689 1.00 1.00 H new ATOM 0 HE ARG A 80 11.597 1.454 -60.321 1.00 1.00 H new ATOM 0 HH11 ARG A 80 12.009 3.631 -63.069 1.00 1.00 H new ATOM 0 HH12 ARG A 80 12.843 4.863 -62.116 1.00 1.00 H new ATOM 0 HH21 ARG A 80 12.669 3.041 -59.103 1.00 1.00 H new ATOM 0 HH22 ARG A 80 13.216 4.530 -59.880 1.00 1.00 H new ATOM 692 N ARG A 81 6.874 -0.967 -64.627 1.00 1.00 N ATOM 693 CA ARG A 81 6.056 -1.049 -65.831 1.00 1.00 C ATOM 694 C ARG A 81 4.691 -0.406 -65.605 1.00 1.00 C ATOM 695 O ARG A 81 4.192 0.332 -66.456 1.00 1.00 O ATOM 696 CB ARG A 81 5.881 -2.508 -66.255 1.00 1.00 C ATOM 697 CG ARG A 81 7.017 -3.032 -67.118 1.00 1.00 C ATOM 698 CD ARG A 81 7.060 -2.332 -68.467 1.00 1.00 C ATOM 699 NE ARG A 81 7.589 -3.200 -69.517 1.00 1.00 N ATOM 700 CZ ARG A 81 7.409 -2.977 -70.814 1.00 1.00 C ATOM 701 NH1 ARG A 81 6.719 -1.920 -71.219 1.00 1.00 N ATOM 702 NH2 ARG A 81 7.921 -3.812 -71.709 1.00 1.00 N ATOM 0 H ARG A 81 6.971 -1.848 -64.122 1.00 1.00 H new ATOM 0 HA ARG A 81 6.567 -0.506 -66.626 1.00 1.00 H new ATOM 0 HB2 ARG A 81 5.797 -3.129 -65.363 1.00 1.00 H new ATOM 0 HB3 ARG A 81 4.944 -2.608 -66.803 1.00 1.00 H new ATOM 0 HG2 ARG A 81 7.965 -2.886 -66.601 1.00 1.00 H new ATOM 0 HG3 ARG A 81 6.897 -4.105 -67.267 1.00 1.00 H new ATOM 0 HD2 ARG A 81 6.056 -2.005 -68.738 1.00 1.00 H new ATOM 0 HD3 ARG A 81 7.677 -1.437 -68.391 1.00 1.00 H new ATOM 0 HE ARG A 81 8.126 -4.022 -69.239 1.00 1.00 H new ATOM 0 HH11 ARG A 81 6.325 -1.275 -70.534 1.00 1.00 H new ATOM 0 HH12 ARG A 81 6.582 -1.751 -72.216 1.00 1.00 H new ATOM 0 HH21 ARG A 81 8.453 -4.626 -71.401 1.00 1.00 H new ATOM 0 HH22 ARG A 81 7.782 -3.640 -72.705 1.00 1.00 H new ATOM 716 N LEU A 82 4.092 -0.691 -64.454 1.00 1.00 N ATOM 717 CA LEU A 82 2.783 -0.141 -64.116 1.00 1.00 C ATOM 718 C LEU A 82 2.795 1.382 -64.200 1.00 1.00 C ATOM 719 O LEU A 82 1.834 1.996 -64.665 1.00 1.00 O ATOM 720 CB LEU A 82 2.371 -0.582 -62.711 1.00 1.00 C ATOM 721 CG LEU A 82 1.804 -1.997 -62.591 1.00 1.00 C ATOM 722 CD1 LEU A 82 1.975 -2.523 -61.174 1.00 1.00 C ATOM 723 CD2 LEU A 82 0.337 -2.020 -62.997 1.00 1.00 C ATOM 0 H LEU A 82 4.491 -1.299 -63.739 1.00 1.00 H new ATOM 0 HA LEU A 82 2.059 -0.521 -64.837 1.00 1.00 H new ATOM 0 HB2 LEU A 82 3.240 -0.504 -62.058 1.00 1.00 H new ATOM 0 HB3 LEU A 82 1.626 0.119 -62.336 1.00 1.00 H new ATOM 0 HG LEU A 82 2.358 -2.648 -63.267 1.00 1.00 H new ATOM 0 HD11 LEU A 82 1.566 -3.531 -61.108 1.00 1.00 H new ATOM 0 HD12 LEU A 82 3.035 -2.544 -60.919 1.00 1.00 H new ATOM 0 HD13 LEU A 82 1.448 -1.871 -60.478 1.00 1.00 H new ATOM 0 HD21 LEU A 82 -0.050 -3.035 -62.905 1.00 1.00 H new ATOM 0 HD22 LEU A 82 -0.231 -1.355 -62.346 1.00 1.00 H new ATOM 0 HD23 LEU A 82 0.240 -1.687 -64.030 1.00 1.00 H new ATOM 735 N LEU A 83 3.889 1.986 -63.749 1.00 1.00 N ATOM 736 CA LEU A 83 4.028 3.438 -63.776 1.00 1.00 C ATOM 737 C LEU A 83 4.050 3.956 -65.210 1.00 1.00 C ATOM 738 O LEU A 83 3.441 4.980 -65.519 1.00 1.00 O ATOM 739 CB LEU A 83 5.305 3.862 -63.049 1.00 1.00 C ATOM 740 CG LEU A 83 5.209 3.961 -61.526 1.00 1.00 C ATOM 741 CD1 LEU A 83 6.596 3.952 -60.902 1.00 1.00 C ATOM 742 CD2 LEU A 83 4.447 5.214 -61.120 1.00 1.00 C ATOM 0 H LEU A 83 4.693 1.493 -63.360 1.00 1.00 H new ATOM 0 HA LEU A 83 3.167 3.870 -63.266 1.00 1.00 H new ATOM 0 HB2 LEU A 83 6.094 3.152 -63.298 1.00 1.00 H new ATOM 0 HB3 LEU A 83 5.615 4.832 -63.437 1.00 1.00 H new ATOM 0 HG LEU A 83 4.662 3.093 -61.158 1.00 1.00 H new ATOM 0 HD11 LEU A 83 6.508 4.023 -59.818 1.00 1.00 H new ATOM 0 HD12 LEU A 83 7.107 3.026 -61.164 1.00 1.00 H new ATOM 0 HD13 LEU A 83 7.169 4.801 -61.276 1.00 1.00 H new ATOM 0 HD21 LEU A 83 4.388 5.268 -60.033 1.00 1.00 H new ATOM 0 HD22 LEU A 83 4.966 6.094 -61.500 1.00 1.00 H new ATOM 0 HD23 LEU A 83 3.440 5.178 -61.536 1.00 1.00 H new ATOM 754 N GLN A 84 4.754 3.241 -66.081 1.00 1.00 N ATOM 755 CA GLN A 84 4.855 3.629 -67.483 1.00 1.00 C ATOM 756 C GLN A 84 3.472 3.786 -68.106 1.00 1.00 C ATOM 757 O GLN A 84 3.255 4.659 -68.946 1.00 1.00 O ATOM 758 CB GLN A 84 5.665 2.593 -68.265 1.00 1.00 C ATOM 759 CG GLN A 84 7.118 2.500 -67.827 1.00 1.00 C ATOM 760 CD GLN A 84 8.010 3.488 -68.553 1.00 1.00 C ATOM 761 OE1 GLN A 84 8.043 4.673 -68.219 1.00 1.00 O ATOM 762 NE2 GLN A 84 8.740 3.005 -69.551 1.00 1.00 N ATOM 0 H GLN A 84 5.263 2.390 -65.841 1.00 1.00 H new ATOM 0 HA GLN A 84 5.366 4.590 -67.531 1.00 1.00 H new ATOM 0 HB2 GLN A 84 5.196 1.616 -68.150 1.00 1.00 H new ATOM 0 HB3 GLN A 84 5.629 2.841 -69.326 1.00 1.00 H new ATOM 0 HG2 GLN A 84 7.182 2.679 -66.754 1.00 1.00 H new ATOM 0 HG3 GLN A 84 7.483 1.488 -68.004 1.00 1.00 H new ATOM 0 HE21 GLN A 84 8.681 2.016 -69.794 1.00 1.00 H new ATOM 0 HE22 GLN A 84 9.360 3.623 -70.075 1.00 1.00 H new ATOM 771 N GLU A 85 2.540 2.935 -67.688 1.00 1.00 N ATOM 772 CA GLU A 85 1.178 2.979 -68.207 1.00 1.00 C ATOM 773 C GLU A 85 0.385 4.110 -67.560 1.00 1.00 C ATOM 774 O GLU A 85 -0.381 4.806 -68.226 1.00 1.00 O ATOM 775 CB GLU A 85 0.473 1.643 -67.964 1.00 1.00 C ATOM 776 CG GLU A 85 0.634 0.653 -69.106 1.00 1.00 C ATOM 777 CD GLU A 85 -0.301 -0.535 -68.984 1.00 1.00 C ATOM 778 OE1 GLU A 85 -1.490 -0.325 -68.666 1.00 1.00 O ATOM 779 OE2 GLU A 85 0.158 -1.675 -69.207 1.00 1.00 O ATOM 0 H GLU A 85 2.703 2.207 -66.992 1.00 1.00 H new ATOM 0 HA GLU A 85 1.231 3.164 -69.280 1.00 1.00 H new ATOM 0 HB2 GLU A 85 0.864 1.197 -67.050 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -0.589 1.827 -67.800 1.00 1.00 H new ATOM 0 HG2 GLU A 85 0.448 1.162 -70.052 1.00 1.00 H new ATOM 0 HG3 GLU A 85 1.664 0.299 -69.132 1.00 1.00 H new ATOM 786 N ARG A 86 0.576 4.288 -66.256 1.00 1.00 N ATOM 787 CA ARG A 86 -0.121 5.334 -65.518 1.00 1.00 C ATOM 788 C ARG A 86 0.270 6.716 -66.033 1.00 1.00 C ATOM 789 O ARG A 86 -0.505 7.667 -65.937 1.00 1.00 O ATOM 790 CB ARG A 86 0.190 5.228 -64.024 1.00 1.00 C ATOM 791 CG ARG A 86 -0.286 3.930 -63.393 1.00 1.00 C ATOM 792 CD ARG A 86 -1.680 4.075 -62.804 1.00 1.00 C ATOM 793 NE ARG A 86 -2.721 3.935 -63.818 1.00 1.00 N ATOM 794 CZ ARG A 86 -3.137 2.764 -64.287 1.00 1.00 C ATOM 795 NH1 ARG A 86 -2.603 1.638 -63.835 1.00 1.00 N ATOM 796 NH2 ARG A 86 -4.089 2.718 -65.210 1.00 1.00 N ATOM 0 H ARG A 86 1.207 3.721 -65.690 1.00 1.00 H new ATOM 0 HA ARG A 86 -1.192 5.198 -65.670 1.00 1.00 H new ATOM 0 HB2 ARG A 86 1.266 5.320 -63.878 1.00 1.00 H new ATOM 0 HB3 ARG A 86 -0.274 6.066 -63.505 1.00 1.00 H new ATOM 0 HG2 ARG A 86 -0.287 3.139 -64.143 1.00 1.00 H new ATOM 0 HG3 ARG A 86 0.411 3.627 -62.611 1.00 1.00 H new ATOM 0 HD2 ARG A 86 -1.826 3.323 -62.029 1.00 1.00 H new ATOM 0 HD3 ARG A 86 -1.771 5.049 -62.324 1.00 1.00 H new ATOM 0 HE ARG A 86 -3.152 4.783 -64.186 1.00 1.00 H new ATOM 0 HH11 ARG A 86 -1.871 1.670 -63.125 1.00 1.00 H new ATOM 0 HH12 ARG A 86 -2.924 0.740 -64.197 1.00 1.00 H new ATOM 0 HH21 ARG A 86 -4.502 3.582 -65.560 1.00 1.00 H new ATOM 0 HH22 ARG A 86 -4.408 1.818 -65.570 1.00 1.00 H new ATOM 810 N GLU A 87 1.478 6.818 -66.580 1.00 1.00 N ATOM 811 CA GLU A 87 1.971 8.084 -67.109 1.00 1.00 C ATOM 812 C GLU A 87 1.643 8.219 -68.593 1.00 1.00 C ATOM 813 O GLU A 87 1.542 9.328 -69.120 1.00 1.00 O ATOM 814 CB GLU A 87 3.483 8.196 -66.897 1.00 1.00 C ATOM 815 CG GLU A 87 4.291 7.256 -67.776 1.00 1.00 C ATOM 816 CD GLU A 87 5.785 7.488 -67.658 1.00 1.00 C ATOM 817 OE1 GLU A 87 6.279 8.479 -68.235 1.00 1.00 O ATOM 818 OE2 GLU A 87 6.460 6.677 -66.989 1.00 1.00 O ATOM 0 H GLU A 87 2.132 6.040 -66.668 1.00 1.00 H new ATOM 0 HA GLU A 87 1.475 8.891 -66.571 1.00 1.00 H new ATOM 0 HB2 GLU A 87 3.794 9.222 -67.094 1.00 1.00 H new ATOM 0 HB3 GLU A 87 3.711 7.989 -65.852 1.00 1.00 H new ATOM 0 HG2 GLU A 87 4.064 6.225 -67.504 1.00 1.00 H new ATOM 0 HG3 GLU A 87 3.988 7.385 -68.815 1.00 1.00 H new ATOM 825 N LEU A 88 1.478 7.083 -69.262 1.00 1.00 N ATOM 826 CA LEU A 88 1.163 7.073 -70.686 1.00 1.00 C ATOM 827 C LEU A 88 -0.202 7.701 -70.946 1.00 1.00 C ATOM 828 O LEU A 88 -0.431 8.301 -71.997 1.00 1.00 O ATOM 829 CB LEU A 88 1.189 5.641 -71.224 1.00 1.00 C ATOM 830 CG LEU A 88 1.092 5.493 -72.743 1.00 1.00 C ATOM 831 CD1 LEU A 88 2.478 5.382 -73.358 1.00 1.00 C ATOM 832 CD2 LEU A 88 0.246 4.281 -73.107 1.00 1.00 C ATOM 0 H LEU A 88 1.557 6.157 -68.841 1.00 1.00 H new ATOM 0 HA LEU A 88 1.919 7.663 -71.204 1.00 1.00 H new ATOM 0 HB2 LEU A 88 2.112 5.166 -70.891 1.00 1.00 H new ATOM 0 HB3 LEU A 88 0.365 5.089 -70.772 1.00 1.00 H new ATOM 0 HG LEU A 88 0.609 6.383 -73.146 1.00 1.00 H new ATOM 0 HD11 LEU A 88 2.389 5.277 -74.439 1.00 1.00 H new ATOM 0 HD12 LEU A 88 3.052 6.279 -73.126 1.00 1.00 H new ATOM 0 HD13 LEU A 88 2.988 4.510 -72.950 1.00 1.00 H new ATOM 0 HD21 LEU A 88 0.187 4.191 -74.192 1.00 1.00 H new ATOM 0 HD22 LEU A 88 0.701 3.382 -72.692 1.00 1.00 H new ATOM 0 HD23 LEU A 88 -0.757 4.402 -72.698 1.00 1.00 H new ATOM 844 N VAL A 89 -1.106 7.561 -69.982 1.00 1.00 N ATOM 845 CA VAL A 89 -2.448 8.118 -70.105 1.00 1.00 C ATOM 846 C VAL A 89 -2.461 9.602 -69.759 1.00 1.00 C ATOM 847 O VAL A 89 -3.184 10.386 -70.374 1.00 1.00 O ATOM 848 CB VAL A 89 -3.447 7.381 -69.193 1.00 1.00 C ATOM 849 CG1 VAL A 89 -4.834 7.993 -69.316 1.00 1.00 C ATOM 850 CG2 VAL A 89 -3.478 5.897 -69.526 1.00 1.00 C ATOM 0 H VAL A 89 -0.933 7.066 -69.107 1.00 1.00 H new ATOM 0 HA VAL A 89 -2.751 7.988 -71.144 1.00 1.00 H new ATOM 0 HB VAL A 89 -3.118 7.491 -68.160 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -5.526 7.459 -68.665 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -4.796 9.042 -69.023 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -5.175 7.916 -70.348 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -4.189 5.392 -68.872 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -3.782 5.763 -70.564 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -2.485 5.471 -69.381 1.00 1.00 H new ATOM 860 N GLU A 90 -1.655 9.982 -68.772 1.00 1.00 N ATOM 861 CA GLU A 90 -1.575 11.374 -68.345 1.00 1.00 C ATOM 862 C GLU A 90 -2.963 11.932 -68.046 1.00 1.00 C ATOM 863 O GLU A 90 -3.243 13.102 -68.306 1.00 1.00 O ATOM 864 CB GLU A 90 -0.893 12.222 -69.421 1.00 1.00 C ATOM 865 CG GLU A 90 -0.184 13.448 -68.870 1.00 1.00 C ATOM 866 CD GLU A 90 1.030 13.093 -68.033 1.00 1.00 C ATOM 867 OE1 GLU A 90 2.124 12.930 -68.612 1.00 1.00 O ATOM 868 OE2 GLU A 90 0.884 12.980 -66.798 1.00 1.00 O ATOM 0 H GLU A 90 -1.049 9.346 -68.254 1.00 1.00 H new ATOM 0 HA GLU A 90 -0.982 11.414 -67.431 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -0.171 11.604 -69.955 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -1.640 12.541 -70.148 1.00 1.00 H new ATOM 0 HG2 GLU A 90 0.124 14.087 -69.697 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -0.882 14.025 -68.264 1.00 1.00 H new ATOM 875 N GLY A 91 -3.830 11.086 -67.498 1.00 1.00 N ATOM 876 CA GLY A 91 -5.178 11.512 -67.173 1.00 1.00 C ATOM 877 C GLY A 91 -6.029 11.736 -68.407 1.00 1.00 C ATOM 878 O GLY A 91 -5.754 12.632 -69.205 1.00 1.00 O ATOM 0 H GLY A 91 -3.622 10.113 -67.273 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -5.651 10.760 -66.541 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -5.134 12.434 -66.593 1.00 1.00 H new ATOM 882 N GLY A 92 -7.066 10.919 -68.567 1.00 1.00 N ATOM 883 CA GLY A 92 -7.942 11.048 -69.717 1.00 1.00 C ATOM 884 C GLY A 92 -9.099 10.069 -69.677 1.00 1.00 C ATOM 885 O GLY A 92 -8.899 8.871 -69.481 1.00 1.00 O ATOM 0 H GLY A 92 -7.315 10.170 -67.921 1.00 1.00 H new ATOM 0 HA2 GLY A 92 -8.332 12.065 -69.761 1.00 1.00 H new ATOM 0 HA3 GLY A 92 -7.366 10.888 -70.628 1.00 1.00 H new TER 889 GLY A 92