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 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -43:sc= 0.453 USER MOD Single : A 50 MET CE :methyl 146:sc= -0.352 (180deg=-1.68!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.0345 X(o=-0.034,f=-0.23) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 102:sc= 1.18 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 39 0.270 -4.986 -3.941 1.00 1.00 N ATOM 2 CA GLY A 39 0.269 -4.902 -5.390 1.00 1.00 C ATOM 3 C GLY A 39 -1.089 -4.523 -5.947 1.00 1.00 C ATOM 4 O GLY A 39 -1.797 -5.364 -6.501 1.00 1.00 O ATOM 0 HA2 GLY A 39 1.007 -4.166 -5.709 1.00 1.00 H new ATOM 0 HA3 GLY A 39 0.575 -5.862 -5.807 1.00 1.00 H new ATOM 8 N SER A 40 -1.454 -3.254 -5.799 1.00 1.00 N ATOM 9 CA SER A 40 -2.739 -2.766 -6.287 1.00 1.00 C ATOM 10 C SER A 40 -2.616 -2.252 -7.719 1.00 1.00 C ATOM 11 O SER A 40 -1.687 -1.514 -8.047 1.00 1.00 O ATOM 12 CB SER A 40 -3.265 -1.655 -5.377 1.00 1.00 C ATOM 13 OG SER A 40 -4.467 -1.104 -5.889 1.00 1.00 O ATOM 0 H SER A 40 -0.878 -2.545 -5.345 1.00 1.00 H new ATOM 0 HA SER A 40 -3.444 -3.597 -6.277 1.00 1.00 H new ATOM 0 HB2 SER A 40 -3.440 -2.052 -4.377 1.00 1.00 H new ATOM 0 HB3 SER A 40 -2.513 -0.871 -5.282 1.00 1.00 H new ATOM 0 HG SER A 40 -4.784 -0.397 -5.289 1.00 1.00 H new ATOM 19 N CYS A 41 -3.560 -2.648 -8.565 1.00 1.00 N ATOM 20 CA CYS A 41 -3.558 -2.229 -9.963 1.00 1.00 C ATOM 21 C CYS A 41 -3.880 -0.743 -10.085 1.00 1.00 C ATOM 22 O CYS A 41 -4.950 -0.292 -9.674 1.00 1.00 O ATOM 23 CB CYS A 41 -4.569 -3.050 -10.764 1.00 1.00 C ATOM 24 SG CYS A 41 -4.250 -4.830 -10.752 1.00 1.00 S ATOM 0 H CYS A 41 -4.336 -3.258 -8.308 1.00 1.00 H new ATOM 0 HA CYS A 41 -2.560 -2.400 -10.367 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -5.567 -2.868 -10.364 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -4.570 -2.699 -11.796 1.00 1.00 H new ATOM 0 HG CYS A 41 -5.159 -5.439 -11.454 1.00 1.00 H new ATOM 30 N LYS A 42 -2.947 0.014 -10.652 1.00 1.00 N ATOM 31 CA LYS A 42 -3.131 1.450 -10.830 1.00 1.00 C ATOM 32 C LYS A 42 -2.690 1.886 -12.224 1.00 1.00 C ATOM 33 O LYS A 42 -1.771 2.692 -12.370 1.00 1.00 O ATOM 34 CB LYS A 42 -2.341 2.221 -9.770 1.00 1.00 C ATOM 35 CG LYS A 42 -2.842 1.993 -8.354 1.00 1.00 C ATOM 36 CD LYS A 42 -1.936 2.654 -7.329 1.00 1.00 C ATOM 37 CE LYS A 42 -2.659 2.882 -6.010 1.00 1.00 C ATOM 38 NZ LYS A 42 -3.328 4.212 -5.967 1.00 1.00 N ATOM 0 H LYS A 42 -2.056 -0.343 -10.996 1.00 1.00 H new ATOM 0 HA LYS A 42 -4.192 1.672 -10.717 1.00 1.00 H new ATOM 0 HB2 LYS A 42 -1.292 1.930 -9.827 1.00 1.00 H new ATOM 0 HB3 LYS A 42 -2.389 3.286 -9.996 1.00 1.00 H new ATOM 0 HG2 LYS A 42 -3.853 2.389 -8.257 1.00 1.00 H new ATOM 0 HG3 LYS A 42 -2.898 0.923 -8.155 1.00 1.00 H new ATOM 0 HD2 LYS A 42 -1.059 2.029 -7.161 1.00 1.00 H new ATOM 0 HD3 LYS A 42 -1.579 3.607 -7.719 1.00 1.00 H new ATOM 0 HE2 LYS A 42 -3.401 2.097 -5.862 1.00 1.00 H new ATOM 0 HE3 LYS A 42 -1.947 2.807 -5.188 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 -3.809 4.329 -5.053 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 -2.617 4.962 -6.083 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 -4.026 4.275 -6.736 1.00 1.00 H new ATOM 52 N ILE A 43 -3.352 1.349 -13.243 1.00 1.00 N ATOM 53 CA ILE A 43 -3.029 1.686 -14.625 1.00 1.00 C ATOM 54 C ILE A 43 -4.146 2.502 -15.267 1.00 1.00 C ATOM 55 O ILE A 43 -5.329 2.184 -15.146 1.00 1.00 O ATOM 56 CB ILE A 43 -2.781 0.421 -15.469 1.00 1.00 C ATOM 57 CG1 ILE A 43 -1.705 -0.450 -14.818 1.00 1.00 C ATOM 58 CG2 ILE A 43 -2.378 0.801 -16.885 1.00 1.00 C ATOM 59 CD1 ILE A 43 -0.395 0.272 -14.596 1.00 1.00 C ATOM 0 H ILE A 43 -4.114 0.680 -13.139 1.00 1.00 H new ATOM 0 HA ILE A 43 -2.116 2.281 -14.600 1.00 1.00 H new ATOM 0 HB ILE A 43 -3.706 -0.154 -15.517 1.00 1.00 H new ATOM 0 HG12 ILE A 43 -2.076 -0.816 -13.860 1.00 1.00 H new ATOM 0 HG13 ILE A 43 -1.527 -1.323 -15.446 1.00 1.00 H new ATOM 0 HG21 ILE A 43 -2.206 -0.103 -17.469 1.00 1.00 H new ATOM 0 HG22 ILE A 43 -3.175 1.385 -17.346 1.00 1.00 H new ATOM 0 HG23 ILE A 43 -1.464 1.394 -16.856 1.00 1.00 H new ATOM 0 HD11 ILE A 43 0.320 -0.407 -14.131 1.00 1.00 H new ATOM 0 HD12 ILE A 43 -0.001 0.614 -15.553 1.00 1.00 H new ATOM 0 HD13 ILE A 43 -0.558 1.130 -13.943 1.00 1.00 H new ATOM 71 N PRO A 44 -3.763 3.578 -15.969 1.00 1.00 N ATOM 72 CA PRO A 44 -4.717 4.461 -16.648 1.00 1.00 C ATOM 73 C PRO A 44 -5.373 3.789 -17.849 1.00 1.00 C ATOM 74 O PRO A 44 -5.140 2.611 -18.118 1.00 1.00 O ATOM 75 CB PRO A 44 -3.850 5.638 -17.101 1.00 1.00 C ATOM 76 CG PRO A 44 -2.476 5.074 -17.219 1.00 1.00 C ATOM 77 CD PRO A 44 -2.370 4.017 -16.155 1.00 1.00 C ATOM 0 HA PRO A 44 -5.542 4.748 -15.997 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -4.196 6.041 -18.053 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -3.882 6.454 -16.379 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -2.312 4.649 -18.209 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -1.723 5.849 -17.076 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -1.728 3.194 -16.469 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -1.948 4.416 -15.233 1.00 1.00 H new ATOM 85 N SER A 45 -6.195 4.547 -18.569 1.00 1.00 N ATOM 86 CA SER A 45 -6.887 4.024 -19.741 1.00 1.00 C ATOM 87 C SER A 45 -6.239 4.532 -21.026 1.00 1.00 C ATOM 88 O SER A 45 -6.212 3.832 -22.039 1.00 1.00 O ATOM 89 CB SER A 45 -8.363 4.424 -19.709 1.00 1.00 C ATOM 90 OG SER A 45 -8.909 4.467 -21.017 1.00 1.00 O ATOM 0 H SER A 45 -6.398 5.525 -18.361 1.00 1.00 H new ATOM 0 HA SER A 45 -6.812 2.937 -19.721 1.00 1.00 H new ATOM 0 HB2 SER A 45 -8.923 3.713 -19.101 1.00 1.00 H new ATOM 0 HB3 SER A 45 -8.468 5.400 -19.235 1.00 1.00 H new ATOM 0 HG SER A 45 -9.854 4.724 -20.969 1.00 1.00 H new ATOM 96 N ILE A 46 -5.718 5.753 -20.975 1.00 1.00 N ATOM 97 CA ILE A 46 -5.071 6.356 -22.134 1.00 1.00 C ATOM 98 C ILE A 46 -3.935 5.478 -22.648 1.00 1.00 C ATOM 99 O ILE A 46 -3.514 5.599 -23.798 1.00 1.00 O ATOM 100 CB ILE A 46 -4.516 7.754 -21.805 1.00 1.00 C ATOM 101 CG1 ILE A 46 -5.643 8.678 -21.340 1.00 1.00 C ATOM 102 CG2 ILE A 46 -3.808 8.342 -23.017 1.00 1.00 C ATOM 103 CD1 ILE A 46 -5.306 9.461 -20.090 1.00 1.00 C ATOM 0 H ILE A 46 -5.731 6.344 -20.144 1.00 1.00 H new ATOM 0 HA ILE A 46 -5.833 6.450 -22.908 1.00 1.00 H new ATOM 0 HB ILE A 46 -3.792 7.660 -20.996 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -5.884 9.376 -22.142 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -6.537 8.083 -21.156 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -3.421 9.330 -22.768 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -2.983 7.692 -23.307 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -4.512 8.426 -23.845 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -6.150 10.095 -19.819 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -5.094 8.770 -19.274 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -4.430 10.083 -20.275 1.00 1.00 H new ATOM 115 N ALA A 47 -3.443 4.593 -21.787 1.00 1.00 N ATOM 116 CA ALA A 47 -2.357 3.692 -22.154 1.00 1.00 C ATOM 117 C ALA A 47 -2.894 2.337 -22.601 1.00 1.00 C ATOM 118 O ALA A 47 -2.272 1.645 -23.407 1.00 1.00 O ATOM 119 CB ALA A 47 -1.395 3.523 -20.988 1.00 1.00 C ATOM 0 H ALA A 47 -3.779 4.481 -20.831 1.00 1.00 H new ATOM 0 HA ALA A 47 -1.819 4.134 -22.993 1.00 1.00 H new ATOM 0 HB1 ALA A 47 -0.589 2.848 -21.276 1.00 1.00 H new ATOM 0 HB2 ALA A 47 -0.977 4.493 -20.718 1.00 1.00 H new ATOM 0 HB3 ALA A 47 -1.929 3.107 -20.133 1.00 1.00 H new ATOM 125 N THR A 48 -4.055 1.962 -22.071 1.00 1.00 N ATOM 126 CA THR A 48 -4.675 0.689 -22.414 1.00 1.00 C ATOM 127 C THR A 48 -5.075 0.650 -23.885 1.00 1.00 C ATOM 128 O THR A 48 -4.661 -0.240 -24.627 1.00 1.00 O ATOM 129 CB THR A 48 -5.921 0.420 -21.548 1.00 1.00 C ATOM 130 OG1 THR A 48 -6.893 1.451 -21.755 1.00 1.00 O ATOM 131 CG2 THR A 48 -5.551 0.353 -20.074 1.00 1.00 C ATOM 0 H THR A 48 -4.584 2.522 -21.403 1.00 1.00 H new ATOM 0 HA THR A 48 -3.933 -0.086 -22.222 1.00 1.00 H new ATOM 0 HB THR A 48 -6.342 -0.541 -21.844 1.00 1.00 H new ATOM 0 HG1 THR A 48 -6.447 2.324 -21.764 1.00 1.00 H new ATOM 0 HG21 THR A 48 -6.446 0.162 -19.482 1.00 1.00 H new ATOM 0 HG22 THR A 48 -4.833 -0.452 -19.915 1.00 1.00 H new ATOM 0 HG23 THR A 48 -5.108 1.300 -19.767 1.00 1.00 H new ATOM 139 N GLY A 49 -5.881 1.622 -24.300 1.00 1.00 N ATOM 140 CA GLY A 49 -6.323 1.679 -25.682 1.00 1.00 C ATOM 141 C GLY A 49 -5.175 1.550 -26.663 1.00 1.00 C ATOM 142 O GLY A 49 -5.290 0.862 -27.676 1.00 1.00 O ATOM 0 H GLY A 49 -6.236 2.371 -23.705 1.00 1.00 H new ATOM 0 HA2 GLY A 49 -7.043 0.881 -25.863 1.00 1.00 H new ATOM 0 HA3 GLY A 49 -6.841 2.622 -25.856 1.00 1.00 H new ATOM 146 N MET A 50 -4.064 2.215 -26.362 1.00 1.00 N ATOM 147 CA MET A 50 -2.890 2.171 -27.226 1.00 1.00 C ATOM 148 C MET A 50 -2.343 0.750 -27.327 1.00 1.00 C ATOM 149 O MET A 50 -2.101 0.244 -28.423 1.00 1.00 O ATOM 150 CB MET A 50 -1.805 3.111 -26.697 1.00 1.00 C ATOM 151 CG MET A 50 -1.986 4.555 -27.136 1.00 1.00 C ATOM 152 SD MET A 50 -1.115 4.930 -28.670 1.00 1.00 S ATOM 153 CE MET A 50 -2.339 4.441 -29.882 1.00 1.00 C ATOM 0 H MET A 50 -3.952 2.790 -25.527 1.00 1.00 H new ATOM 0 HA MET A 50 -3.190 2.498 -28.222 1.00 1.00 H new ATOM 0 HB2 MET A 50 -1.799 3.069 -25.608 1.00 1.00 H new ATOM 0 HB3 MET A 50 -0.832 2.756 -27.035 1.00 1.00 H new ATOM 0 HG2 MET A 50 -3.048 4.760 -27.267 1.00 1.00 H new ATOM 0 HG3 MET A 50 -1.628 5.218 -26.348 1.00 1.00 H new ATOM 0 HE1 MET A 50 -2.275 5.098 -30.749 1.00 1.00 H new ATOM 0 HE2 MET A 50 -2.154 3.412 -30.192 1.00 1.00 H new ATOM 0 HE3 MET A 50 -3.334 4.514 -29.444 1.00 1.00 H new ATOM 163 N VAL A 51 -2.149 0.112 -26.177 1.00 1.00 N ATOM 164 CA VAL A 51 -1.630 -1.250 -26.137 1.00 1.00 C ATOM 165 C VAL A 51 -2.467 -2.183 -27.005 1.00 1.00 C ATOM 166 O VAL A 51 -1.953 -2.823 -27.921 1.00 1.00 O ATOM 167 CB VAL A 51 -1.599 -1.796 -24.697 1.00 1.00 C ATOM 168 CG1 VAL A 51 -0.941 -3.167 -24.660 1.00 1.00 C ATOM 169 CG2 VAL A 51 -0.879 -0.825 -23.774 1.00 1.00 C ATOM 0 H VAL A 51 -2.343 0.516 -25.261 1.00 1.00 H new ATOM 0 HA VAL A 51 -0.612 -1.213 -26.526 1.00 1.00 H new ATOM 0 HB VAL A 51 -2.625 -1.902 -24.345 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -0.928 -3.537 -23.635 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -1.504 -3.858 -25.288 1.00 1.00 H new ATOM 0 HG13 VAL A 51 0.081 -3.090 -25.031 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -0.867 -1.227 -22.761 1.00 1.00 H new ATOM 0 HG22 VAL A 51 0.145 -0.684 -24.121 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -1.398 0.133 -23.778 1.00 1.00 H new ATOM 179 N GLY A 52 -3.761 -2.254 -26.710 1.00 1.00 N ATOM 180 CA GLY A 52 -4.650 -3.110 -27.474 1.00 1.00 C ATOM 181 C GLY A 52 -4.512 -2.902 -28.969 1.00 1.00 C ATOM 182 O GLY A 52 -4.456 -3.865 -29.734 1.00 1.00 O ATOM 0 H GLY A 52 -4.210 -1.734 -25.956 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -4.440 -4.152 -27.234 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -5.681 -2.916 -27.177 1.00 1.00 H new ATOM 186 N ALA A 53 -4.459 -1.642 -29.387 1.00 1.00 N ATOM 187 CA ALA A 53 -4.326 -1.311 -30.801 1.00 1.00 C ATOM 188 C ALA A 53 -2.936 -1.667 -31.319 1.00 1.00 C ATOM 189 O ALA A 53 -2.779 -2.086 -32.467 1.00 1.00 O ATOM 190 CB ALA A 53 -4.612 0.167 -31.026 1.00 1.00 C ATOM 0 H ALA A 53 -4.506 -0.833 -28.767 1.00 1.00 H new ATOM 0 HA ALA A 53 -5.055 -1.900 -31.357 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -4.509 0.400 -32.086 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -5.627 0.395 -30.701 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -3.905 0.766 -30.452 1.00 1.00 H new ATOM 196 N LEU A 54 -1.931 -1.497 -30.467 1.00 1.00 N ATOM 197 CA LEU A 54 -0.553 -1.800 -30.840 1.00 1.00 C ATOM 198 C LEU A 54 -0.413 -3.256 -31.270 1.00 1.00 C ATOM 199 O LEU A 54 0.161 -3.552 -32.319 1.00 1.00 O ATOM 200 CB LEU A 54 0.388 -1.508 -29.670 1.00 1.00 C ATOM 201 CG LEU A 54 0.963 -0.093 -29.608 1.00 1.00 C ATOM 202 CD1 LEU A 54 1.332 0.271 -28.178 1.00 1.00 C ATOM 203 CD2 LEU A 54 2.174 0.031 -30.521 1.00 1.00 C ATOM 0 H LEU A 54 -2.044 -1.151 -29.514 1.00 1.00 H new ATOM 0 HA LEU A 54 -0.282 -1.165 -31.683 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -0.149 -1.701 -28.741 1.00 1.00 H new ATOM 0 HB3 LEU A 54 1.217 -2.214 -29.712 1.00 1.00 H new ATOM 0 HG LEU A 54 0.200 0.604 -29.953 1.00 1.00 H new ATOM 0 HD11 LEU A 54 1.740 1.282 -28.153 1.00 1.00 H new ATOM 0 HD12 LEU A 54 0.443 0.223 -27.549 1.00 1.00 H new ATOM 0 HD13 LEU A 54 2.078 -0.430 -27.805 1.00 1.00 H new ATOM 0 HD21 LEU A 54 2.570 1.045 -30.464 1.00 1.00 H new ATOM 0 HD22 LEU A 54 2.941 -0.677 -30.206 1.00 1.00 H new ATOM 0 HD23 LEU A 54 1.879 -0.186 -31.548 1.00 1.00 H new ATOM 215 N LEU A 55 -0.941 -4.162 -30.455 1.00 1.00 N ATOM 216 CA LEU A 55 -0.877 -5.589 -30.752 1.00 1.00 C ATOM 217 C LEU A 55 -1.729 -5.930 -31.970 1.00 1.00 C ATOM 218 O LEU A 55 -1.275 -6.616 -32.886 1.00 1.00 O ATOM 219 CB LEU A 55 -1.345 -6.403 -29.544 1.00 1.00 C ATOM 220 CG LEU A 55 -0.906 -5.885 -28.174 1.00 1.00 C ATOM 221 CD1 LEU A 55 -1.152 -6.935 -27.102 1.00 1.00 C ATOM 222 CD2 LEU A 55 0.561 -5.482 -28.202 1.00 1.00 C ATOM 0 H LEU A 55 -1.418 -3.934 -29.583 1.00 1.00 H new ATOM 0 HA LEU A 55 0.160 -5.843 -30.974 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -2.434 -6.448 -29.561 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -0.982 -7.425 -29.657 1.00 1.00 H new ATOM 0 HG LEU A 55 -1.500 -5.004 -27.933 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -0.833 -6.548 -26.134 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -2.215 -7.175 -27.065 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -0.585 -7.835 -27.338 1.00 1.00 H new ATOM 0 HD21 LEU A 55 0.857 -5.116 -27.219 1.00 1.00 H new ATOM 0 HD22 LEU A 55 1.171 -6.346 -28.466 1.00 1.00 H new ATOM 0 HD23 LEU A 55 0.708 -4.695 -28.942 1.00 1.00 H new ATOM 234 N LEU A 56 -2.966 -5.445 -31.976 1.00 1.00 N ATOM 235 CA LEU A 56 -3.881 -5.695 -33.084 1.00 1.00 C ATOM 236 C LEU A 56 -3.227 -5.353 -34.418 1.00 1.00 C ATOM 237 O LEU A 56 -3.098 -6.208 -35.296 1.00 1.00 O ATOM 238 CB LEU A 56 -5.163 -4.879 -32.906 1.00 1.00 C ATOM 239 CG LEU A 56 -6.438 -5.501 -33.477 1.00 1.00 C ATOM 240 CD1 LEU A 56 -6.944 -6.610 -32.568 1.00 1.00 C ATOM 241 CD2 LEU A 56 -7.509 -4.437 -33.671 1.00 1.00 C ATOM 0 H LEU A 56 -3.358 -4.876 -31.226 1.00 1.00 H new ATOM 0 HA LEU A 56 -4.130 -6.756 -33.085 1.00 1.00 H new ATOM 0 HB2 LEU A 56 -5.314 -4.704 -31.841 1.00 1.00 H new ATOM 0 HB3 LEU A 56 -5.018 -3.904 -33.372 1.00 1.00 H new ATOM 0 HG LEU A 56 -6.204 -5.935 -34.449 1.00 1.00 H new ATOM 0 HD11 LEU A 56 -7.852 -7.041 -32.990 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -6.182 -7.384 -32.480 1.00 1.00 H new ATOM 0 HD13 LEU A 56 -7.162 -6.201 -31.581 1.00 1.00 H new ATOM 0 HD21 LEU A 56 -8.409 -4.897 -34.078 1.00 1.00 H new ATOM 0 HD22 LEU A 56 -7.740 -3.974 -32.712 1.00 1.00 H new ATOM 0 HD23 LEU A 56 -7.146 -3.677 -34.363 1.00 1.00 H new ATOM 253 N LEU A 57 -2.814 -4.099 -34.565 1.00 1.00 N ATOM 254 CA LEU A 57 -2.172 -3.644 -35.793 1.00 1.00 C ATOM 255 C LEU A 57 -0.975 -4.523 -36.140 1.00 1.00 C ATOM 256 O LEU A 57 -0.787 -4.907 -37.295 1.00 1.00 O ATOM 257 CB LEU A 57 -1.724 -2.188 -35.648 1.00 1.00 C ATOM 258 CG LEU A 57 -2.841 -1.155 -35.493 1.00 1.00 C ATOM 259 CD1 LEU A 57 -2.265 0.252 -35.452 1.00 1.00 C ATOM 260 CD2 LEU A 57 -3.851 -1.287 -36.623 1.00 1.00 C ATOM 0 H LEU A 57 -2.912 -3.379 -33.849 1.00 1.00 H new ATOM 0 HA LEU A 57 -2.899 -3.716 -36.602 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -1.066 -2.116 -34.782 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -1.130 -1.923 -36.522 1.00 1.00 H new ATOM 0 HG LEU A 57 -3.355 -1.343 -34.550 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -3.075 0.973 -35.341 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -1.582 0.341 -34.607 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -1.725 0.451 -36.378 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -4.638 -0.544 -36.496 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -3.351 -1.126 -37.578 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -4.288 -2.285 -36.606 1.00 1.00 H new ATOM 272 N LEU A 58 -0.169 -4.840 -35.132 1.00 1.00 N ATOM 273 CA LEU A 58 1.010 -5.677 -35.330 1.00 1.00 C ATOM 274 C LEU A 58 0.633 -7.003 -35.984 1.00 1.00 C ATOM 275 O LEU A 58 1.228 -7.406 -36.983 1.00 1.00 O ATOM 276 CB LEU A 58 1.707 -5.935 -33.993 1.00 1.00 C ATOM 277 CG LEU A 58 2.783 -4.926 -33.591 1.00 1.00 C ATOM 278 CD1 LEU A 58 3.003 -4.951 -32.087 1.00 1.00 C ATOM 279 CD2 LEU A 58 4.083 -5.211 -34.328 1.00 1.00 C ATOM 0 H LEU A 58 -0.310 -4.531 -34.170 1.00 1.00 H new ATOM 0 HA LEU A 58 1.694 -5.147 -35.993 1.00 1.00 H new ATOM 0 HB2 LEU A 58 0.949 -5.959 -33.210 1.00 1.00 H new ATOM 0 HB3 LEU A 58 2.161 -6.925 -34.028 1.00 1.00 H new ATOM 0 HG LEU A 58 2.442 -3.929 -33.870 1.00 1.00 H new ATOM 0 HD11 LEU A 58 3.772 -4.226 -31.820 1.00 1.00 H new ATOM 0 HD12 LEU A 58 2.073 -4.697 -31.579 1.00 1.00 H new ATOM 0 HD13 LEU A 58 3.322 -5.948 -31.782 1.00 1.00 H new ATOM 0 HD21 LEU A 58 4.838 -4.483 -34.030 1.00 1.00 H new ATOM 0 HD22 LEU A 58 4.429 -6.215 -34.081 1.00 1.00 H new ATOM 0 HD23 LEU A 58 3.915 -5.140 -35.403 1.00 1.00 H new ATOM 291 N VAL A 59 -0.362 -7.676 -35.414 1.00 1.00 N ATOM 292 CA VAL A 59 -0.823 -8.953 -35.945 1.00 1.00 C ATOM 293 C VAL A 59 -1.458 -8.780 -37.320 1.00 1.00 C ATOM 294 O VAL A 59 -1.165 -9.531 -38.250 1.00 1.00 O ATOM 295 CB VAL A 59 -1.842 -9.618 -35.000 1.00 1.00 C ATOM 296 CG1 VAL A 59 -2.161 -11.030 -35.467 1.00 1.00 C ATOM 297 CG2 VAL A 59 -1.319 -9.626 -33.572 1.00 1.00 C ATOM 0 H VAL A 59 -0.864 -7.358 -34.585 1.00 1.00 H new ATOM 0 HA VAL A 59 0.054 -9.595 -36.032 1.00 1.00 H new ATOM 0 HB VAL A 59 -2.764 -9.037 -35.022 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -2.882 -11.484 -34.787 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -2.582 -10.995 -36.472 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -1.248 -11.625 -35.477 1.00 1.00 H new ATOM 0 HG21 VAL A 59 -2.052 -10.099 -32.919 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -0.383 -10.183 -33.531 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -1.147 -8.602 -33.242 1.00 1.00 H new ATOM 307 N VAL A 60 -2.331 -7.785 -37.442 1.00 1.00 N ATOM 308 CA VAL A 60 -3.007 -7.511 -38.704 1.00 1.00 C ATOM 309 C VAL A 60 -2.002 -7.326 -39.836 1.00 1.00 C ATOM 310 O VAL A 60 -2.049 -8.031 -40.843 1.00 1.00 O ATOM 311 CB VAL A 60 -3.891 -6.254 -38.606 1.00 1.00 C ATOM 312 CG1 VAL A 60 -4.545 -5.955 -39.947 1.00 1.00 C ATOM 313 CG2 VAL A 60 -4.940 -6.424 -37.518 1.00 1.00 C ATOM 0 H VAL A 60 -2.587 -7.155 -36.682 1.00 1.00 H new ATOM 0 HA VAL A 60 -3.638 -8.373 -38.919 1.00 1.00 H new ATOM 0 HB VAL A 60 -3.259 -5.407 -38.340 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -5.166 -5.063 -39.858 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -3.774 -5.787 -40.699 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -5.165 -6.800 -40.246 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -5.556 -5.526 -37.463 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -5.570 -7.282 -37.751 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -4.447 -6.585 -36.559 1.00 1.00 H new ATOM 323 N ALA A 61 -1.093 -6.372 -39.663 1.00 1.00 N ATOM 324 CA ALA A 61 -0.076 -6.094 -40.669 1.00 1.00 C ATOM 325 C ALA A 61 0.837 -7.298 -40.873 1.00 1.00 C ATOM 326 O ALA A 61 1.314 -7.548 -41.981 1.00 1.00 O ATOM 327 CB ALA A 61 0.739 -4.872 -40.272 1.00 1.00 C ATOM 0 H ALA A 61 -1.040 -5.779 -38.835 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.580 -5.889 -41.613 1.00 1.00 H new ATOM 0 HB1 ALA A 61 1.495 -4.676 -41.032 1.00 1.00 H new ATOM 0 HB2 ALA A 61 0.080 -4.008 -40.184 1.00 1.00 H new ATOM 0 HB3 ALA A 61 1.227 -5.055 -39.315 1.00 1.00 H new ATOM 333 N LEU A 62 1.077 -8.042 -39.799 1.00 1.00 N ATOM 334 CA LEU A 62 1.935 -9.220 -39.859 1.00 1.00 C ATOM 335 C LEU A 62 1.326 -10.290 -40.760 1.00 1.00 C ATOM 336 O LEU A 62 1.916 -10.677 -41.768 1.00 1.00 O ATOM 337 CB LEU A 62 2.159 -9.785 -38.456 1.00 1.00 C ATOM 338 CG LEU A 62 3.364 -9.233 -37.694 1.00 1.00 C ATOM 339 CD1 LEU A 62 3.240 -9.534 -36.208 1.00 1.00 C ATOM 340 CD2 LEU A 62 4.657 -9.811 -38.250 1.00 1.00 C ATOM 0 H LEU A 62 0.689 -7.850 -38.875 1.00 1.00 H new ATOM 0 HA LEU A 62 2.895 -8.920 -40.279 1.00 1.00 H new ATOM 0 HB2 LEU A 62 1.263 -9.598 -37.864 1.00 1.00 H new ATOM 0 HB3 LEU A 62 2.269 -10.867 -38.535 1.00 1.00 H new ATOM 0 HG LEU A 62 3.387 -8.151 -37.824 1.00 1.00 H new ATOM 0 HD11 LEU A 62 4.107 -9.134 -35.682 1.00 1.00 H new ATOM 0 HD12 LEU A 62 2.333 -9.072 -35.818 1.00 1.00 H new ATOM 0 HD13 LEU A 62 3.191 -10.613 -36.058 1.00 1.00 H new ATOM 0 HD21 LEU A 62 5.504 -9.407 -37.696 1.00 1.00 H new ATOM 0 HD22 LEU A 62 4.643 -10.896 -38.151 1.00 1.00 H new ATOM 0 HD23 LEU A 62 4.752 -9.544 -39.303 1.00 1.00 H new ATOM 352 N GLY A 63 0.140 -10.764 -40.390 1.00 1.00 N ATOM 353 CA GLY A 63 -0.529 -11.785 -41.175 1.00 1.00 C ATOM 354 C GLY A 63 -0.648 -11.406 -42.638 1.00 1.00 C ATOM 355 O GLY A 63 -0.333 -12.205 -43.520 1.00 1.00 O ATOM 0 H GLY A 63 -0.369 -10.459 -39.561 1.00 1.00 H new ATOM 0 HA2 GLY A 63 0.020 -12.723 -41.089 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -1.524 -11.960 -40.766 1.00 1.00 H new ATOM 359 N ILE A 64 -1.105 -10.185 -42.895 1.00 1.00 N ATOM 360 CA ILE A 64 -1.265 -9.703 -44.262 1.00 1.00 C ATOM 361 C ILE A 64 0.084 -9.573 -44.960 1.00 1.00 C ATOM 362 O ILE A 64 0.226 -9.925 -46.130 1.00 1.00 O ATOM 363 CB ILE A 64 -1.982 -8.341 -44.297 1.00 1.00 C ATOM 364 CG1 ILE A 64 -3.360 -8.448 -43.640 1.00 1.00 C ATOM 365 CG2 ILE A 64 -2.110 -7.847 -45.730 1.00 1.00 C ATOM 366 CD1 ILE A 64 -4.051 -7.114 -43.463 1.00 1.00 C ATOM 0 H ILE A 64 -1.371 -9.512 -42.176 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.874 -10.439 -44.788 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.388 -7.620 -43.736 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -3.992 -9.098 -44.245 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.253 -8.925 -42.666 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -2.619 -6.883 -45.738 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -1.118 -7.737 -46.167 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.685 -8.566 -46.313 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.022 -7.267 -42.992 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.439 -6.468 -42.833 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.190 -6.644 -44.437 1.00 1.00 H new ATOM 378 N GLY A 65 1.075 -9.065 -44.233 1.00 1.00 N ATOM 379 CA GLY A 65 2.401 -8.899 -44.798 1.00 1.00 C ATOM 380 C GLY A 65 3.032 -10.220 -45.194 1.00 1.00 C ATOM 381 O GLY A 65 3.520 -10.371 -46.315 1.00 1.00 O ATOM 0 H GLY A 65 0.983 -8.765 -43.262 1.00 1.00 H new ATOM 0 HA2 GLY A 65 2.341 -8.252 -45.673 1.00 1.00 H new ATOM 0 HA3 GLY A 65 3.041 -8.397 -44.073 1.00 1.00 H new ATOM 385 N LEU A 66 3.024 -11.177 -44.274 1.00 1.00 N ATOM 386 CA LEU A 66 3.601 -12.492 -44.532 1.00 1.00 C ATOM 387 C LEU A 66 2.847 -13.208 -45.648 1.00 1.00 C ATOM 388 O LEU A 66 3.423 -14.008 -46.386 1.00 1.00 O ATOM 389 CB LEU A 66 3.577 -13.340 -43.259 1.00 1.00 C ATOM 390 CG LEU A 66 4.544 -12.918 -42.153 1.00 1.00 C ATOM 391 CD1 LEU A 66 4.379 -13.808 -40.931 1.00 1.00 C ATOM 392 CD2 LEU A 66 5.980 -12.960 -42.655 1.00 1.00 C ATOM 0 H LEU A 66 2.624 -11.068 -43.342 1.00 1.00 H new ATOM 0 HA LEU A 66 4.635 -12.352 -44.849 1.00 1.00 H new ATOM 0 HB2 LEU A 66 2.565 -13.324 -42.855 1.00 1.00 H new ATOM 0 HB3 LEU A 66 3.795 -14.373 -43.530 1.00 1.00 H new ATOM 0 HG LEU A 66 4.311 -11.893 -41.865 1.00 1.00 H new ATOM 0 HD11 LEU A 66 5.076 -13.492 -40.154 1.00 1.00 H new ATOM 0 HD12 LEU A 66 3.358 -13.727 -40.557 1.00 1.00 H new ATOM 0 HD13 LEU A 66 4.585 -14.843 -41.204 1.00 1.00 H new ATOM 0 HD21 LEU A 66 6.654 -12.656 -41.854 1.00 1.00 H new ATOM 0 HD22 LEU A 66 6.225 -13.974 -42.971 1.00 1.00 H new ATOM 0 HD23 LEU A 66 6.090 -12.280 -43.500 1.00 1.00 H new ATOM 404 N PHE A 67 1.557 -12.913 -45.767 1.00 1.00 N ATOM 405 CA PHE A 67 0.724 -13.528 -46.794 1.00 1.00 C ATOM 406 C PHE A 67 1.024 -12.932 -48.167 1.00 1.00 C ATOM 407 O PHE A 67 1.178 -13.656 -49.149 1.00 1.00 O ATOM 408 CB PHE A 67 -0.757 -13.344 -46.458 1.00 1.00 C ATOM 409 CG PHE A 67 -1.649 -14.370 -47.096 1.00 1.00 C ATOM 410 CD1 PHE A 67 -1.527 -15.711 -46.771 1.00 1.00 C ATOM 411 CD2 PHE A 67 -2.610 -13.993 -48.020 1.00 1.00 C ATOM 412 CE1 PHE A 67 -2.346 -16.658 -47.357 1.00 1.00 C ATOM 413 CE2 PHE A 67 -3.432 -14.935 -48.610 1.00 1.00 C ATOM 414 CZ PHE A 67 -3.300 -16.269 -48.277 1.00 1.00 C ATOM 0 H PHE A 67 1.066 -12.252 -45.165 1.00 1.00 H new ATOM 0 HA PHE A 67 0.953 -14.593 -46.822 1.00 1.00 H new ATOM 0 HB2 PHE A 67 -0.884 -13.387 -45.376 1.00 1.00 H new ATOM 0 HB3 PHE A 67 -1.073 -12.351 -46.777 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -0.783 -16.020 -46.051 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -2.718 -12.951 -48.282 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -2.240 -17.701 -47.096 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -4.176 -14.628 -49.330 1.00 1.00 H new ATOM 0 HZ PHE A 67 -3.942 -17.007 -48.735 1.00 1.00 H new ATOM 424 N MET A 68 1.104 -11.606 -48.224 1.00 1.00 N ATOM 425 CA MET A 68 1.384 -10.912 -49.476 1.00 1.00 C ATOM 426 C MET A 68 2.837 -11.111 -49.894 1.00 1.00 C ATOM 427 O MET A 68 3.224 -10.765 -51.010 1.00 1.00 O ATOM 428 CB MET A 68 1.082 -9.419 -49.334 1.00 1.00 C ATOM 429 CG MET A 68 -0.333 -9.127 -48.863 1.00 1.00 C ATOM 430 SD MET A 68 -1.503 -8.980 -50.227 1.00 1.00 S ATOM 431 CE MET A 68 -2.970 -9.700 -49.494 1.00 1.00 C ATOM 0 H MET A 68 0.979 -10.992 -47.419 1.00 1.00 H new ATOM 0 HA MET A 68 0.741 -11.334 -50.249 1.00 1.00 H new ATOM 0 HB2 MET A 68 1.788 -8.979 -48.630 1.00 1.00 H new ATOM 0 HB3 MET A 68 1.244 -8.931 -50.295 1.00 1.00 H new ATOM 0 HG2 MET A 68 -0.660 -9.922 -48.193 1.00 1.00 H new ATOM 0 HG3 MET A 68 -0.336 -8.202 -48.286 1.00 1.00 H new ATOM 0 HE1 MET A 68 -3.785 -9.681 -50.218 1.00 1.00 H new ATOM 0 HE2 MET A 68 -2.764 -10.731 -49.206 1.00 1.00 H new ATOM 0 HE3 MET A 68 -3.255 -9.127 -48.612 1.00 1.00 H new ATOM 441 N ARG A 69 3.637 -11.671 -48.992 1.00 1.00 N ATOM 442 CA ARG A 69 5.048 -11.914 -49.268 1.00 1.00 C ATOM 443 C ARG A 69 5.216 -13.037 -50.287 1.00 1.00 C ATOM 444 O ARG A 69 6.316 -13.275 -50.787 1.00 1.00 O ATOM 445 CB ARG A 69 5.788 -12.267 -47.977 1.00 1.00 C ATOM 446 CG ARG A 69 6.362 -11.060 -47.254 1.00 1.00 C ATOM 447 CD ARG A 69 7.796 -11.305 -46.810 1.00 1.00 C ATOM 448 NE ARG A 69 7.960 -12.617 -46.190 1.00 1.00 N ATOM 449 CZ ARG A 69 9.138 -13.203 -46.011 1.00 1.00 C ATOM 450 NH1 ARG A 69 10.250 -12.596 -46.401 1.00 1.00 N ATOM 451 NH2 ARG A 69 9.206 -14.398 -45.439 1.00 1.00 N ATOM 0 H ARG A 69 3.332 -11.965 -48.064 1.00 1.00 H new ATOM 0 HA ARG A 69 5.474 -11.001 -49.685 1.00 1.00 H new ATOM 0 HB2 ARG A 69 5.104 -12.789 -47.308 1.00 1.00 H new ATOM 0 HB3 ARG A 69 6.597 -12.959 -48.210 1.00 1.00 H new ATOM 0 HG2 ARG A 69 6.327 -10.191 -47.911 1.00 1.00 H new ATOM 0 HG3 ARG A 69 5.746 -10.828 -46.385 1.00 1.00 H new ATOM 0 HD2 ARG A 69 8.461 -11.225 -47.670 1.00 1.00 H new ATOM 0 HD3 ARG A 69 8.094 -10.530 -46.104 1.00 1.00 H new ATOM 0 HE ARG A 69 7.124 -13.110 -45.877 1.00 1.00 H new ATOM 0 HH11 ARG A 69 10.202 -11.676 -46.840 1.00 1.00 H new ATOM 0 HH12 ARG A 69 11.154 -13.048 -46.262 1.00 1.00 H new ATOM 0 HH21 ARG A 69 8.353 -14.868 -45.136 1.00 1.00 H new ATOM 0 HH22 ARG A 69 10.112 -14.847 -45.302 1.00 1.00 H new ATOM 465 N ARG A 70 4.120 -13.723 -50.591 1.00 1.00 N ATOM 466 CA ARG A 70 4.147 -14.822 -51.549 1.00 1.00 C ATOM 467 C ARG A 70 3.975 -14.304 -52.974 1.00 1.00 C ATOM 468 O ARG A 70 4.643 -14.769 -53.898 1.00 1.00 O ATOM 469 CB ARG A 70 3.046 -15.835 -51.227 1.00 1.00 C ATOM 470 CG ARG A 70 3.004 -16.243 -49.763 1.00 1.00 C ATOM 471 CD ARG A 70 2.054 -17.409 -49.538 1.00 1.00 C ATOM 472 NE ARG A 70 2.537 -18.637 -50.163 1.00 1.00 N ATOM 473 CZ ARG A 70 3.456 -19.426 -49.619 1.00 1.00 C ATOM 474 NH1 ARG A 70 3.989 -19.118 -48.445 1.00 1.00 N ATOM 475 NH2 ARG A 70 3.844 -20.527 -50.250 1.00 1.00 N ATOM 0 H ARG A 70 3.202 -13.537 -50.188 1.00 1.00 H new ATOM 0 HA ARG A 70 5.117 -15.314 -51.473 1.00 1.00 H new ATOM 0 HB2 ARG A 70 2.081 -15.411 -51.505 1.00 1.00 H new ATOM 0 HB3 ARG A 70 3.192 -16.725 -51.840 1.00 1.00 H new ATOM 0 HG2 ARG A 70 4.005 -16.519 -49.432 1.00 1.00 H new ATOM 0 HG3 ARG A 70 2.690 -15.394 -49.156 1.00 1.00 H new ATOM 0 HD2 ARG A 70 1.928 -17.572 -48.468 1.00 1.00 H new ATOM 0 HD3 ARG A 70 1.072 -17.159 -49.940 1.00 1.00 H new ATOM 0 HE ARG A 70 2.147 -18.903 -51.067 1.00 1.00 H new ATOM 0 HH11 ARG A 70 3.693 -18.273 -47.957 1.00 1.00 H new ATOM 0 HH12 ARG A 70 4.695 -19.726 -48.030 1.00 1.00 H new ATOM 0 HH21 ARG A 70 3.436 -20.768 -51.153 1.00 1.00 H new ATOM 0 HH22 ARG A 70 4.550 -21.133 -49.832 1.00 1.00 H new ATOM 489 N ARG A 71 3.076 -13.341 -53.144 1.00 1.00 N ATOM 490 CA ARG A 71 2.815 -12.762 -54.457 1.00 1.00 C ATOM 491 C ARG A 71 3.786 -11.623 -54.752 1.00 1.00 C ATOM 492 O ARG A 71 4.162 -11.396 -55.902 1.00 1.00 O ATOM 493 CB ARG A 71 1.375 -12.253 -54.536 1.00 1.00 C ATOM 494 CG ARG A 71 0.385 -13.298 -55.025 1.00 1.00 C ATOM 495 CD ARG A 71 -0.935 -12.665 -55.436 1.00 1.00 C ATOM 496 NE ARG A 71 -1.798 -12.404 -54.287 1.00 1.00 N ATOM 497 CZ ARG A 71 -2.443 -13.355 -53.621 1.00 1.00 C ATOM 498 NH1 ARG A 71 -2.323 -14.624 -53.987 1.00 1.00 N ATOM 499 NH2 ARG A 71 -3.210 -13.038 -52.585 1.00 1.00 N ATOM 0 H ARG A 71 2.516 -12.945 -52.389 1.00 1.00 H new ATOM 0 HA ARG A 71 2.959 -13.541 -55.205 1.00 1.00 H new ATOM 0 HB2 ARG A 71 1.067 -11.906 -53.550 1.00 1.00 H new ATOM 0 HB3 ARG A 71 1.339 -11.391 -55.202 1.00 1.00 H new ATOM 0 HG2 ARG A 71 0.811 -13.836 -55.872 1.00 1.00 H new ATOM 0 HG3 ARG A 71 0.209 -14.031 -54.237 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -0.741 -11.731 -55.963 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -1.451 -13.324 -56.135 1.00 1.00 H new ATOM 0 HE ARG A 71 -1.912 -11.438 -53.979 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -1.734 -14.872 -54.782 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -2.820 -15.352 -53.473 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -3.304 -12.063 -52.300 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -3.705 -13.769 -52.074 1.00 1.00 H new ATOM 513 N HIS A 72 4.187 -10.908 -53.705 1.00 1.00 N ATOM 514 CA HIS A 72 5.115 -9.792 -53.852 1.00 1.00 C ATOM 515 C HIS A 72 6.465 -10.273 -54.373 1.00 1.00 C ATOM 516 O HIS A 72 7.285 -9.476 -54.830 1.00 1.00 O ATOM 517 CB HIS A 72 5.297 -9.074 -52.515 1.00 1.00 C ATOM 518 CG HIS A 72 4.326 -7.955 -52.298 1.00 1.00 C ATOM 519 ND1 HIS A 72 3.122 -7.863 -52.965 1.00 1.00 N ATOM 520 CD2 HIS A 72 4.385 -6.877 -51.481 1.00 1.00 C ATOM 521 CE1 HIS A 72 2.484 -6.777 -52.569 1.00 1.00 C ATOM 522 NE2 HIS A 72 3.228 -6.161 -51.669 1.00 1.00 N ATOM 0 H HIS A 72 3.884 -11.081 -52.747 1.00 1.00 H new ATOM 0 HA HIS A 72 4.694 -9.094 -54.576 1.00 1.00 H new ATOM 0 HB2 HIS A 72 5.191 -9.797 -51.706 1.00 1.00 H new ATOM 0 HB3 HIS A 72 6.312 -8.679 -52.459 1.00 1.00 H new ATOM 0 HD2 HIS A 72 5.191 -6.627 -50.807 1.00 1.00 H new ATOM 0 HE1 HIS A 72 1.517 -6.448 -52.922 1.00 1.00 H new ATOM 0 HE2 HIS A 72 2.983 -5.294 -51.191 1.00 1.00 H new ATOM 530 N ILE A 73 6.690 -11.581 -54.301 1.00 1.00 N ATOM 531 CA ILE A 73 7.942 -12.167 -54.765 1.00 1.00 C ATOM 532 C ILE A 73 8.272 -11.708 -56.181 1.00 1.00 C ATOM 533 O ILE A 73 9.439 -11.636 -56.566 1.00 1.00 O ATOM 534 CB ILE A 73 7.887 -13.706 -54.735 1.00 1.00 C ATOM 535 CG1 ILE A 73 7.659 -14.202 -53.306 1.00 1.00 C ATOM 536 CG2 ILE A 73 9.170 -14.292 -55.306 1.00 1.00 C ATOM 537 CD1 ILE A 73 8.712 -13.733 -52.327 1.00 1.00 C ATOM 0 H ILE A 73 6.022 -12.255 -53.926 1.00 1.00 H new ATOM 0 HA ILE A 73 8.722 -11.826 -54.085 1.00 1.00 H new ATOM 0 HB ILE A 73 7.052 -14.038 -55.352 1.00 1.00 H new ATOM 0 HG12 ILE A 73 6.681 -13.863 -52.965 1.00 1.00 H new ATOM 0 HG13 ILE A 73 7.636 -15.292 -53.308 1.00 1.00 H new ATOM 0 HG21 ILE A 73 9.117 -15.380 -55.278 1.00 1.00 H new ATOM 0 HG22 ILE A 73 9.294 -13.961 -56.337 1.00 1.00 H new ATOM 0 HG23 ILE A 73 10.020 -13.955 -54.712 1.00 1.00 H new ATOM 0 HD11 ILE A 73 8.486 -14.123 -51.335 1.00 1.00 H new ATOM 0 HD12 ILE A 73 9.690 -14.094 -52.644 1.00 1.00 H new ATOM 0 HD13 ILE A 73 8.720 -12.643 -52.296 1.00 1.00 H new ATOM 549 N VAL A 74 7.235 -11.397 -56.953 1.00 1.00 N ATOM 550 CA VAL A 74 7.415 -10.941 -58.326 1.00 1.00 C ATOM 551 C VAL A 74 8.077 -9.569 -58.368 1.00 1.00 C ATOM 552 O VAL A 74 8.010 -8.807 -57.404 1.00 1.00 O ATOM 553 CB VAL A 74 6.070 -10.873 -59.075 1.00 1.00 C ATOM 554 CG1 VAL A 74 6.299 -10.697 -60.568 1.00 1.00 C ATOM 555 CG2 VAL A 74 5.243 -12.119 -58.798 1.00 1.00 C ATOM 0 H VAL A 74 6.262 -11.453 -56.651 1.00 1.00 H new ATOM 0 HA VAL A 74 8.061 -11.668 -58.818 1.00 1.00 H new ATOM 0 HB VAL A 74 5.515 -10.008 -58.712 1.00 1.00 H new ATOM 0 HG11 VAL A 74 5.338 -10.651 -61.081 1.00 1.00 H new ATOM 0 HG12 VAL A 74 6.849 -9.773 -60.745 1.00 1.00 H new ATOM 0 HG13 VAL A 74 6.874 -11.541 -60.950 1.00 1.00 H new ATOM 0 HG21 VAL A 74 4.297 -12.054 -59.335 1.00 1.00 H new ATOM 0 HG22 VAL A 74 5.790 -13.001 -59.132 1.00 1.00 H new ATOM 0 HG23 VAL A 74 5.049 -12.196 -57.728 1.00 1.00 H new ATOM 565 N ARG A 75 8.716 -9.260 -59.492 1.00 1.00 N ATOM 566 CA ARG A 75 9.391 -7.979 -59.659 1.00 1.00 C ATOM 567 C ARG A 75 8.470 -6.825 -59.274 1.00 1.00 C ATOM 568 O ARG A 75 7.545 -6.482 -60.010 1.00 1.00 O ATOM 569 CB ARG A 75 9.859 -7.810 -61.106 1.00 1.00 C ATOM 570 CG ARG A 75 10.840 -8.880 -61.557 1.00 1.00 C ATOM 571 CD ARG A 75 12.256 -8.567 -61.098 1.00 1.00 C ATOM 572 NE ARG A 75 13.226 -9.524 -61.623 1.00 1.00 N ATOM 573 CZ ARG A 75 13.645 -9.530 -62.883 1.00 1.00 C ATOM 574 NH1 ARG A 75 13.182 -8.633 -63.743 1.00 1.00 N ATOM 575 NH2 ARG A 75 14.530 -10.433 -63.285 1.00 1.00 N ATOM 0 H ARG A 75 8.780 -9.879 -60.300 1.00 1.00 H new ATOM 0 HA ARG A 75 10.258 -7.965 -58.999 1.00 1.00 H new ATOM 0 HB2 ARG A 75 8.990 -7.825 -61.764 1.00 1.00 H new ATOM 0 HB3 ARG A 75 10.326 -6.831 -61.216 1.00 1.00 H new ATOM 0 HG2 ARG A 75 10.533 -9.847 -61.159 1.00 1.00 H new ATOM 0 HG3 ARG A 75 10.818 -8.960 -62.644 1.00 1.00 H new ATOM 0 HD2 ARG A 75 12.528 -7.562 -61.420 1.00 1.00 H new ATOM 0 HD3 ARG A 75 12.294 -8.573 -60.009 1.00 1.00 H new ATOM 0 HE ARG A 75 13.602 -10.227 -60.987 1.00 1.00 H new ATOM 0 HH11 ARG A 75 12.503 -7.936 -63.437 1.00 1.00 H new ATOM 0 HH12 ARG A 75 13.505 -8.640 -64.710 1.00 1.00 H new ATOM 0 HH21 ARG A 75 14.889 -11.124 -62.626 1.00 1.00 H new ATOM 0 HH22 ARG A 75 14.851 -10.437 -64.253 1.00 1.00 H new ATOM 589 N LYS A 76 8.730 -6.229 -58.115 1.00 1.00 N ATOM 590 CA LYS A 76 7.927 -5.112 -57.631 1.00 1.00 C ATOM 591 C LYS A 76 8.003 -3.931 -58.593 1.00 1.00 C ATOM 592 O LYS A 76 7.104 -3.091 -58.632 1.00 1.00 O ATOM 593 CB LYS A 76 8.400 -4.682 -56.241 1.00 1.00 C ATOM 594 CG LYS A 76 8.066 -5.683 -55.148 1.00 1.00 C ATOM 595 CD LYS A 76 9.153 -6.736 -55.005 1.00 1.00 C ATOM 596 CE LYS A 76 9.039 -7.478 -53.683 1.00 1.00 C ATOM 597 NZ LYS A 76 9.914 -6.883 -52.635 1.00 1.00 N ATOM 0 H LYS A 76 9.491 -6.501 -57.493 1.00 1.00 H new ATOM 0 HA LYS A 76 6.890 -5.442 -57.569 1.00 1.00 H new ATOM 0 HB2 LYS A 76 9.479 -4.529 -56.265 1.00 1.00 H new ATOM 0 HB3 LYS A 76 7.947 -3.722 -55.993 1.00 1.00 H new ATOM 0 HG2 LYS A 76 7.938 -5.159 -54.201 1.00 1.00 H new ATOM 0 HG3 LYS A 76 7.116 -6.168 -55.375 1.00 1.00 H new ATOM 0 HD2 LYS A 76 9.084 -7.446 -55.829 1.00 1.00 H new ATOM 0 HD3 LYS A 76 10.132 -6.262 -55.074 1.00 1.00 H new ATOM 0 HE2 LYS A 76 8.003 -7.459 -53.344 1.00 1.00 H new ATOM 0 HE3 LYS A 76 9.308 -8.524 -53.829 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 9.807 -7.417 -51.749 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 10.905 -6.923 -52.946 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 9.641 -5.892 -52.476 1.00 1.00 H new ATOM 611 N ARG A 77 9.081 -3.874 -59.369 1.00 1.00 N ATOM 612 CA ARG A 77 9.273 -2.795 -60.331 1.00 1.00 C ATOM 613 C ARG A 77 8.141 -2.771 -61.354 1.00 1.00 C ATOM 614 O ARG A 77 7.730 -1.706 -61.816 1.00 1.00 O ATOM 615 CB ARG A 77 10.617 -2.954 -61.045 1.00 1.00 C ATOM 616 CG ARG A 77 11.763 -2.235 -60.353 1.00 1.00 C ATOM 617 CD ARG A 77 13.078 -2.447 -61.087 1.00 1.00 C ATOM 618 NE ARG A 77 13.001 -2.020 -62.482 1.00 1.00 N ATOM 619 CZ ARG A 77 13.120 -0.756 -62.871 1.00 1.00 C ATOM 620 NH1 ARG A 77 13.321 0.201 -61.976 1.00 1.00 N ATOM 621 NH2 ARG A 77 13.039 -0.446 -64.159 1.00 1.00 N ATOM 0 H ARG A 77 9.834 -4.562 -59.350 1.00 1.00 H new ATOM 0 HA ARG A 77 9.267 -1.851 -59.787 1.00 1.00 H new ATOM 0 HB2 ARG A 77 10.856 -4.015 -61.119 1.00 1.00 H new ATOM 0 HB3 ARG A 77 10.525 -2.577 -62.063 1.00 1.00 H new ATOM 0 HG2 ARG A 77 11.544 -1.169 -60.297 1.00 1.00 H new ATOM 0 HG3 ARG A 77 11.855 -2.596 -59.329 1.00 1.00 H new ATOM 0 HD2 ARG A 77 13.869 -1.893 -60.581 1.00 1.00 H new ATOM 0 HD3 ARG A 77 13.351 -3.502 -61.045 1.00 1.00 H new ATOM 0 HE ARG A 77 12.847 -2.732 -63.196 1.00 1.00 H new ATOM 0 HH11 ARG A 77 13.385 -0.033 -60.985 1.00 1.00 H new ATOM 0 HH12 ARG A 77 13.412 1.171 -62.278 1.00 1.00 H new ATOM 0 HH21 ARG A 77 12.885 -1.179 -64.851 1.00 1.00 H new ATOM 0 HH22 ARG A 77 13.131 0.525 -64.457 1.00 1.00 H new ATOM 635 N THR A 78 7.641 -3.952 -61.704 1.00 1.00 N ATOM 636 CA THR A 78 6.557 -4.066 -62.672 1.00 1.00 C ATOM 637 C THR A 78 5.386 -3.166 -62.295 1.00 1.00 C ATOM 638 O THR A 78 4.964 -2.317 -63.082 1.00 1.00 O ATOM 639 CB THR A 78 6.057 -5.518 -62.787 1.00 1.00 C ATOM 640 OG1 THR A 78 7.146 -6.428 -62.593 1.00 1.00 O ATOM 641 CG2 THR A 78 5.419 -5.765 -64.145 1.00 1.00 C ATOM 0 H THR A 78 7.969 -4.843 -61.332 1.00 1.00 H new ATOM 0 HA THR A 78 6.959 -3.750 -63.635 1.00 1.00 H new ATOM 0 HB THR A 78 5.305 -5.682 -62.015 1.00 1.00 H new ATOM 0 HG1 THR A 78 7.111 -6.791 -61.683 1.00 1.00 H new ATOM 0 HG21 THR A 78 5.074 -6.797 -64.202 1.00 1.00 H new ATOM 0 HG22 THR A 78 4.572 -5.091 -64.277 1.00 1.00 H new ATOM 0 HG23 THR A 78 6.153 -5.584 -64.930 1.00 1.00 H new ATOM 649 N LEU A 79 4.866 -3.355 -61.088 1.00 1.00 N ATOM 650 CA LEU A 79 3.743 -2.557 -60.606 1.00 1.00 C ATOM 651 C LEU A 79 4.150 -1.099 -60.424 1.00 1.00 C ATOM 652 O LEU A 79 3.357 -0.188 -60.665 1.00 1.00 O ATOM 653 CB LEU A 79 3.222 -3.122 -59.283 1.00 1.00 C ATOM 654 CG LEU A 79 2.153 -4.210 -59.392 1.00 1.00 C ATOM 655 CD1 LEU A 79 0.843 -3.622 -59.894 1.00 1.00 C ATOM 656 CD2 LEU A 79 2.623 -5.330 -60.309 1.00 1.00 C ATOM 0 H LEU A 79 5.203 -4.053 -60.425 1.00 1.00 H new ATOM 0 HA LEU A 79 2.949 -2.603 -61.352 1.00 1.00 H new ATOM 0 HB2 LEU A 79 4.067 -3.526 -58.726 1.00 1.00 H new ATOM 0 HB3 LEU A 79 2.816 -2.299 -58.695 1.00 1.00 H new ATOM 0 HG LEU A 79 1.984 -4.627 -58.399 1.00 1.00 H new ATOM 0 HD11 LEU A 79 0.094 -4.411 -59.965 1.00 1.00 H new ATOM 0 HD12 LEU A 79 0.498 -2.856 -59.200 1.00 1.00 H new ATOM 0 HD13 LEU A 79 0.997 -3.178 -60.877 1.00 1.00 H new ATOM 0 HD21 LEU A 79 1.850 -6.095 -60.375 1.00 1.00 H new ATOM 0 HD22 LEU A 79 2.821 -4.928 -61.303 1.00 1.00 H new ATOM 0 HD23 LEU A 79 3.536 -5.770 -59.907 1.00 1.00 H new ATOM 668 N ARG A 80 5.391 -0.884 -59.999 1.00 1.00 N ATOM 669 CA ARG A 80 5.903 0.464 -59.787 1.00 1.00 C ATOM 670 C ARG A 80 5.847 1.276 -61.078 1.00 1.00 C ATOM 671 O ARG A 80 5.340 2.398 -61.095 1.00 1.00 O ATOM 672 CB ARG A 80 7.341 0.410 -59.268 1.00 1.00 C ATOM 673 CG ARG A 80 7.441 0.116 -57.780 1.00 1.00 C ATOM 674 CD ARG A 80 7.307 1.384 -56.951 1.00 1.00 C ATOM 675 NE ARG A 80 8.427 2.297 -57.162 1.00 1.00 N ATOM 676 CZ ARG A 80 9.661 2.057 -56.733 1.00 1.00 C ATOM 677 NH1 ARG A 80 9.932 0.939 -56.073 1.00 1.00 N ATOM 678 NH2 ARG A 80 10.628 2.936 -56.964 1.00 1.00 N ATOM 0 H ARG A 80 6.060 -1.626 -59.795 1.00 1.00 H new ATOM 0 HA ARG A 80 5.273 0.952 -59.043 1.00 1.00 H new ATOM 0 HB2 ARG A 80 7.888 -0.355 -59.818 1.00 1.00 H new ATOM 0 HB3 ARG A 80 7.829 1.362 -59.475 1.00 1.00 H new ATOM 0 HG2 ARG A 80 6.662 -0.591 -57.495 1.00 1.00 H new ATOM 0 HG3 ARG A 80 8.398 -0.361 -57.566 1.00 1.00 H new ATOM 0 HD2 ARG A 80 6.375 1.888 -57.208 1.00 1.00 H new ATOM 0 HD3 ARG A 80 7.247 1.122 -55.895 1.00 1.00 H new ATOM 0 HE ARG A 80 8.252 3.166 -57.666 1.00 1.00 H new ATOM 0 HH11 ARG A 80 9.192 0.261 -55.894 1.00 1.00 H new ATOM 0 HH12 ARG A 80 10.881 0.758 -55.745 1.00 1.00 H new ATOM 0 HH21 ARG A 80 10.424 3.797 -57.471 1.00 1.00 H new ATOM 0 HH22 ARG A 80 11.575 2.751 -56.634 1.00 1.00 H new ATOM 692 N ARG A 81 6.372 0.702 -62.155 1.00 1.00 N ATOM 693 CA ARG A 81 6.384 1.374 -63.449 1.00 1.00 C ATOM 694 C ARG A 81 4.964 1.671 -63.921 1.00 1.00 C ATOM 695 O ARG A 81 4.723 2.657 -64.618 1.00 1.00 O ATOM 696 CB ARG A 81 7.108 0.514 -64.487 1.00 1.00 C ATOM 697 CG ARG A 81 8.602 0.783 -64.566 1.00 1.00 C ATOM 698 CD ARG A 81 9.127 0.602 -65.981 1.00 1.00 C ATOM 699 NE ARG A 81 8.681 -0.655 -66.574 1.00 1.00 N ATOM 700 CZ ARG A 81 8.811 -0.947 -67.863 1.00 1.00 C ATOM 701 NH1 ARG A 81 9.373 -0.076 -68.690 1.00 1.00 N ATOM 702 NH2 ARG A 81 8.380 -2.113 -68.328 1.00 1.00 N ATOM 0 H ARG A 81 6.795 -0.226 -62.158 1.00 1.00 H new ATOM 0 HA ARG A 81 6.915 2.319 -63.335 1.00 1.00 H new ATOM 0 HB2 ARG A 81 6.949 -0.538 -64.250 1.00 1.00 H new ATOM 0 HB3 ARG A 81 6.663 0.690 -65.466 1.00 1.00 H new ATOM 0 HG2 ARG A 81 8.808 1.798 -64.227 1.00 1.00 H new ATOM 0 HG3 ARG A 81 9.130 0.109 -63.892 1.00 1.00 H new ATOM 0 HD2 ARG A 81 8.792 1.434 -66.601 1.00 1.00 H new ATOM 0 HD3 ARG A 81 10.217 0.631 -65.970 1.00 1.00 H new ATOM 0 HE ARG A 81 8.245 -1.347 -65.965 1.00 1.00 H new ATOM 0 HH11 ARG A 81 9.707 0.821 -68.337 1.00 1.00 H new ATOM 0 HH12 ARG A 81 9.472 -0.303 -69.680 1.00 1.00 H new ATOM 0 HH21 ARG A 81 7.948 -2.786 -67.695 1.00 1.00 H new ATOM 0 HH22 ARG A 81 8.481 -2.336 -69.318 1.00 1.00 H new ATOM 716 N LEU A 82 4.027 0.811 -63.537 1.00 1.00 N ATOM 717 CA LEU A 82 2.629 0.982 -63.920 1.00 1.00 C ATOM 718 C LEU A 82 2.021 2.200 -63.232 1.00 1.00 C ATOM 719 O LEU A 82 1.219 2.924 -63.824 1.00 1.00 O ATOM 720 CB LEU A 82 1.827 -0.272 -63.566 1.00 1.00 C ATOM 721 CG LEU A 82 2.042 -1.485 -64.472 1.00 1.00 C ATOM 722 CD1 LEU A 82 1.816 -2.775 -63.700 1.00 1.00 C ATOM 723 CD2 LEU A 82 1.122 -1.416 -65.682 1.00 1.00 C ATOM 0 H LEU A 82 4.209 -0.011 -62.961 1.00 1.00 H new ATOM 0 HA LEU A 82 2.589 1.140 -64.998 1.00 1.00 H new ATOM 0 HB2 LEU A 82 2.073 -0.559 -62.544 1.00 1.00 H new ATOM 0 HB3 LEU A 82 0.767 -0.017 -63.580 1.00 1.00 H new ATOM 0 HG LEU A 82 3.074 -1.473 -64.824 1.00 1.00 H new ATOM 0 HD11 LEU A 82 1.973 -3.627 -64.361 1.00 1.00 H new ATOM 0 HD12 LEU A 82 2.517 -2.828 -62.867 1.00 1.00 H new ATOM 0 HD13 LEU A 82 0.795 -2.796 -63.318 1.00 1.00 H new ATOM 0 HD21 LEU A 82 1.288 -2.287 -66.316 1.00 1.00 H new ATOM 0 HD22 LEU A 82 0.084 -1.402 -65.350 1.00 1.00 H new ATOM 0 HD23 LEU A 82 1.334 -0.509 -66.249 1.00 1.00 H new ATOM 735 N LEU A 83 2.408 2.421 -61.981 1.00 1.00 N ATOM 736 CA LEU A 83 1.902 3.553 -61.213 1.00 1.00 C ATOM 737 C LEU A 83 2.271 4.874 -61.881 1.00 1.00 C ATOM 738 O LEU A 83 1.494 5.828 -61.862 1.00 1.00 O ATOM 739 CB LEU A 83 2.458 3.517 -59.788 1.00 1.00 C ATOM 740 CG LEU A 83 1.770 2.551 -58.823 1.00 1.00 C ATOM 741 CD1 LEU A 83 2.656 2.280 -57.617 1.00 1.00 C ATOM 742 CD2 LEU A 83 0.422 3.104 -58.384 1.00 1.00 C ATOM 0 H LEU A 83 3.070 1.832 -61.477 1.00 1.00 H new ATOM 0 HA LEU A 83 0.815 3.477 -61.175 1.00 1.00 H new ATOM 0 HB2 LEU A 83 3.515 3.257 -59.838 1.00 1.00 H new ATOM 0 HB3 LEU A 83 2.397 4.522 -59.370 1.00 1.00 H new ATOM 0 HG LEU A 83 1.601 1.608 -59.343 1.00 1.00 H new ATOM 0 HD11 LEU A 83 2.150 1.591 -56.941 1.00 1.00 H new ATOM 0 HD12 LEU A 83 3.596 1.839 -57.948 1.00 1.00 H new ATOM 0 HD13 LEU A 83 2.858 3.216 -57.096 1.00 1.00 H new ATOM 0 HD21 LEU A 83 -0.053 2.403 -57.698 1.00 1.00 H new ATOM 0 HD22 LEU A 83 0.567 4.061 -57.883 1.00 1.00 H new ATOM 0 HD23 LEU A 83 -0.215 3.245 -59.257 1.00 1.00 H new ATOM 754 N GLN A 84 3.460 4.919 -62.473 1.00 1.00 N ATOM 755 CA GLN A 84 3.931 6.123 -63.149 1.00 1.00 C ATOM 756 C GLN A 84 2.966 6.541 -64.252 1.00 1.00 C ATOM 757 O GLN A 84 2.750 7.731 -64.482 1.00 1.00 O ATOM 758 CB GLN A 84 5.325 5.892 -63.735 1.00 1.00 C ATOM 759 CG GLN A 84 6.422 5.817 -62.685 1.00 1.00 C ATOM 760 CD GLN A 84 7.810 5.946 -63.280 1.00 1.00 C ATOM 761 OE1 GLN A 84 8.520 6.918 -63.024 1.00 1.00 O ATOM 762 NE2 GLN A 84 8.204 4.963 -64.081 1.00 1.00 N ATOM 0 H GLN A 84 4.114 4.137 -62.499 1.00 1.00 H new ATOM 0 HA GLN A 84 3.982 6.926 -62.413 1.00 1.00 H new ATOM 0 HB2 GLN A 84 5.320 4.966 -64.309 1.00 1.00 H new ATOM 0 HB3 GLN A 84 5.555 6.698 -64.432 1.00 1.00 H new ATOM 0 HG2 GLN A 84 6.271 6.608 -61.950 1.00 1.00 H new ATOM 0 HG3 GLN A 84 6.346 4.869 -62.153 1.00 1.00 H new ATOM 0 HE21 GLN A 84 7.583 4.176 -64.266 1.00 1.00 H new ATOM 0 HE22 GLN A 84 9.128 4.995 -64.511 1.00 1.00 H new ATOM 771 N GLU A 85 2.388 5.555 -64.932 1.00 1.00 N ATOM 772 CA GLU A 85 1.448 5.823 -66.014 1.00 1.00 C ATOM 773 C GLU A 85 0.040 6.044 -65.469 1.00 1.00 C ATOM 774 O GLU A 85 -0.769 6.746 -66.076 1.00 1.00 O ATOM 775 CB GLU A 85 1.443 4.664 -67.013 1.00 1.00 C ATOM 776 CG GLU A 85 2.441 4.833 -68.146 1.00 1.00 C ATOM 777 CD GLU A 85 1.922 5.729 -69.253 1.00 1.00 C ATOM 778 OE1 GLU A 85 0.692 5.752 -69.469 1.00 1.00 O ATOM 779 OE2 GLU A 85 2.744 6.408 -69.903 1.00 1.00 O ATOM 0 H GLU A 85 2.554 4.565 -64.753 1.00 1.00 H new ATOM 0 HA GLU A 85 1.769 6.732 -66.523 1.00 1.00 H new ATOM 0 HB2 GLU A 85 1.662 3.737 -66.483 1.00 1.00 H new ATOM 0 HB3 GLU A 85 0.443 4.562 -67.433 1.00 1.00 H new ATOM 0 HG2 GLU A 85 3.367 5.250 -67.750 1.00 1.00 H new ATOM 0 HG3 GLU A 85 2.684 3.854 -68.560 1.00 1.00 H new ATOM 786 N ARG A 86 -0.245 5.440 -64.320 1.00 1.00 N ATOM 787 CA ARG A 86 -1.555 5.570 -63.693 1.00 1.00 C ATOM 788 C ARG A 86 -1.714 6.943 -63.044 1.00 1.00 C ATOM 789 O ARG A 86 -2.829 7.383 -62.768 1.00 1.00 O ATOM 790 CB ARG A 86 -1.754 4.473 -62.645 1.00 1.00 C ATOM 791 CG ARG A 86 -1.798 3.072 -63.232 1.00 1.00 C ATOM 792 CD ARG A 86 -1.471 2.019 -62.184 1.00 1.00 C ATOM 793 NE ARG A 86 -2.270 2.186 -60.973 1.00 1.00 N ATOM 794 CZ ARG A 86 -2.044 1.519 -59.846 1.00 1.00 C ATOM 795 NH1 ARG A 86 -1.048 0.647 -59.777 1.00 1.00 N ATOM 796 NH2 ARG A 86 -2.814 1.726 -58.786 1.00 1.00 N ATOM 0 H ARG A 86 0.413 4.856 -63.804 1.00 1.00 H new ATOM 0 HA ARG A 86 -2.313 5.464 -64.469 1.00 1.00 H new ATOM 0 HB2 ARG A 86 -0.945 4.527 -61.916 1.00 1.00 H new ATOM 0 HB3 ARG A 86 -2.682 4.661 -62.106 1.00 1.00 H new ATOM 0 HG2 ARG A 86 -2.788 2.880 -63.645 1.00 1.00 H new ATOM 0 HG3 ARG A 86 -1.089 2.999 -64.056 1.00 1.00 H new ATOM 0 HD2 ARG A 86 -1.646 1.027 -62.600 1.00 1.00 H new ATOM 0 HD3 ARG A 86 -0.412 2.076 -61.931 1.00 1.00 H new ATOM 0 HE ARG A 86 -3.043 2.851 -60.993 1.00 1.00 H new ATOM 0 HH11 ARG A 86 -0.453 0.487 -60.590 1.00 1.00 H new ATOM 0 HH12 ARG A 86 -0.876 0.136 -58.911 1.00 1.00 H new ATOM 0 HH21 ARG A 86 -3.580 2.397 -58.836 1.00 1.00 H new ATOM 0 HH22 ARG A 86 -2.640 1.214 -57.921 1.00 1.00 H new ATOM 810 N GLU A 87 -0.590 7.611 -62.804 1.00 1.00 N ATOM 811 CA GLU A 87 -0.606 8.932 -62.187 1.00 1.00 C ATOM 812 C GLU A 87 -1.464 8.933 -60.925 1.00 1.00 C ATOM 813 O GLU A 87 -2.387 9.737 -60.789 1.00 1.00 O ATOM 814 CB GLU A 87 -1.131 9.976 -63.175 1.00 1.00 C ATOM 815 CG GLU A 87 -0.846 9.635 -64.628 1.00 1.00 C ATOM 816 CD GLU A 87 0.637 9.501 -64.916 1.00 1.00 C ATOM 817 OE1 GLU A 87 1.447 9.957 -64.082 1.00 1.00 O ATOM 818 OE2 GLU A 87 0.987 8.939 -65.975 1.00 1.00 O ATOM 0 H GLU A 87 0.341 7.260 -63.027 1.00 1.00 H new ATOM 0 HA GLU A 87 0.417 9.187 -61.910 1.00 1.00 H new ATOM 0 HB2 GLU A 87 -2.207 10.083 -63.040 1.00 1.00 H new ATOM 0 HB3 GLU A 87 -0.683 10.942 -62.942 1.00 1.00 H new ATOM 0 HG2 GLU A 87 -1.348 8.702 -64.883 1.00 1.00 H new ATOM 0 HG3 GLU A 87 -1.268 10.409 -65.269 1.00 1.00 H new ATOM 825 N LEU A 88 -1.154 8.027 -60.005 1.00 1.00 N ATOM 826 CA LEU A 88 -1.898 7.920 -58.755 1.00 1.00 C ATOM 827 C LEU A 88 -1.136 8.579 -57.609 1.00 1.00 C ATOM 828 O LEU A 88 -1.733 9.191 -56.723 1.00 1.00 O ATOM 829 CB LEU A 88 -2.169 6.451 -58.423 1.00 1.00 C ATOM 830 CG LEU A 88 -3.499 6.154 -57.730 1.00 1.00 C ATOM 831 CD1 LEU A 88 -3.657 7.016 -56.487 1.00 1.00 C ATOM 832 CD2 LEU A 88 -4.661 6.375 -58.687 1.00 1.00 C ATOM 0 H LEU A 88 -0.392 7.355 -60.101 1.00 1.00 H new ATOM 0 HA LEU A 88 -2.848 8.439 -58.882 1.00 1.00 H new ATOM 0 HB2 LEU A 88 -2.128 5.877 -59.348 1.00 1.00 H new ATOM 0 HB3 LEU A 88 -1.362 6.088 -57.787 1.00 1.00 H new ATOM 0 HG LEU A 88 -3.502 5.108 -57.424 1.00 1.00 H new ATOM 0 HD11 LEU A 88 -4.609 6.791 -56.007 1.00 1.00 H new ATOM 0 HD12 LEU A 88 -2.843 6.807 -55.793 1.00 1.00 H new ATOM 0 HD13 LEU A 88 -3.633 8.069 -56.769 1.00 1.00 H new ATOM 0 HD21 LEU A 88 -5.599 6.159 -58.176 1.00 1.00 H new ATOM 0 HD22 LEU A 88 -4.662 7.411 -59.025 1.00 1.00 H new ATOM 0 HD23 LEU A 88 -4.555 5.713 -59.547 1.00 1.00 H new ATOM 844 N VAL A 89 0.187 8.452 -57.635 1.00 1.00 N ATOM 845 CA VAL A 89 1.032 9.037 -56.601 1.00 1.00 C ATOM 846 C VAL A 89 2.323 9.590 -57.194 1.00 1.00 C ATOM 847 O VAL A 89 3.253 8.840 -57.487 1.00 1.00 O ATOM 848 CB VAL A 89 1.380 8.007 -55.511 1.00 1.00 C ATOM 849 CG1 VAL A 89 2.211 8.651 -54.412 1.00 1.00 C ATOM 850 CG2 VAL A 89 0.114 7.388 -54.939 1.00 1.00 C ATOM 0 H VAL A 89 0.697 7.949 -58.361 1.00 1.00 H new ATOM 0 HA VAL A 89 0.464 9.852 -56.152 1.00 1.00 H new ATOM 0 HB VAL A 89 1.973 7.213 -55.964 1.00 1.00 H new ATOM 0 HG11 VAL A 89 2.447 7.907 -53.651 1.00 1.00 H new ATOM 0 HG12 VAL A 89 3.136 9.042 -54.837 1.00 1.00 H new ATOM 0 HG13 VAL A 89 1.647 9.466 -53.960 1.00 1.00 H new ATOM 0 HG21 VAL A 89 0.379 6.662 -54.170 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -0.508 8.169 -54.502 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -0.438 6.888 -55.735 1.00 1.00 H new ATOM 860 N GLU A 90 2.372 10.907 -57.367 1.00 1.00 N ATOM 861 CA GLU A 90 3.549 11.560 -57.926 1.00 1.00 C ATOM 862 C GLU A 90 4.797 11.217 -57.118 1.00 1.00 C ATOM 863 O GLU A 90 5.850 10.916 -57.678 1.00 1.00 O ATOM 864 CB GLU A 90 3.351 13.077 -57.960 1.00 1.00 C ATOM 865 CG GLU A 90 2.263 13.528 -58.920 1.00 1.00 C ATOM 866 CD GLU A 90 1.662 14.865 -58.534 1.00 1.00 C ATOM 867 OE1 GLU A 90 0.746 14.882 -57.685 1.00 1.00 O ATOM 868 OE2 GLU A 90 2.107 15.896 -59.081 1.00 1.00 O ATOM 0 H GLU A 90 1.610 11.542 -57.128 1.00 1.00 H new ATOM 0 HA GLU A 90 3.685 11.196 -58.944 1.00 1.00 H new ATOM 0 HB2 GLU A 90 3.106 13.425 -56.957 1.00 1.00 H new ATOM 0 HB3 GLU A 90 4.291 13.551 -58.241 1.00 1.00 H new ATOM 0 HG2 GLU A 90 2.677 13.597 -59.926 1.00 1.00 H new ATOM 0 HG3 GLU A 90 1.475 12.775 -58.950 1.00 1.00 H new ATOM 875 N GLY A 91 4.670 11.266 -55.795 1.00 1.00 N ATOM 876 CA GLY A 91 5.794 10.958 -54.930 1.00 1.00 C ATOM 877 C GLY A 91 5.703 11.660 -53.590 1.00 1.00 C ATOM 878 O GLY A 91 4.716 11.514 -52.870 1.00 1.00 O ATOM 0 H GLY A 91 3.809 11.513 -55.307 1.00 1.00 H new ATOM 0 HA2 GLY A 91 5.841 9.881 -54.770 1.00 1.00 H new ATOM 0 HA3 GLY A 91 6.720 11.247 -55.426 1.00 1.00 H new ATOM 882 N GLY A 92 6.738 12.425 -53.252 1.00 1.00 N ATOM 883 CA GLY A 92 6.751 13.138 -51.988 1.00 1.00 C ATOM 884 C GLY A 92 7.724 12.536 -50.994 1.00 1.00 C ATOM 885 O GLY A 92 8.837 12.156 -51.356 1.00 1.00 O ATOM 0 H GLY A 92 7.566 12.563 -53.831 1.00 1.00 H new ATOM 0 HA2 GLY A 92 7.015 14.181 -52.165 1.00 1.00 H new ATOM 0 HA3 GLY A 92 5.748 13.132 -51.560 1.00 1.00 H new TER 889 GLY A 92