USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00552) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -49:sc= 0.697 USER MOD Single : A 50 MET CE :methyl -117:sc= -0.604 (180deg=-2.47!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.4) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 101:sc= 1.28 USER MOD Single : A 84 GLN : amide:sc= -0.0197 X(o=-0.02,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 39 1.330 0.000 0.000 1.00 1.00 N ATOM 2 CA GLY A 39 2.071 0.001 -1.247 1.00 1.00 C ATOM 3 C GLY A 39 1.401 -0.832 -2.321 1.00 1.00 C ATOM 4 O GLY A 39 1.961 -1.825 -2.786 1.00 1.00 O ATOM 0 HA2 GLY A 39 2.178 1.026 -1.601 1.00 1.00 H new ATOM 0 HA3 GLY A 39 3.076 -0.382 -1.069 1.00 1.00 H new ATOM 8 N SER A 40 0.197 -0.429 -2.716 1.00 1.00 N ATOM 9 CA SER A 40 -0.553 -1.148 -3.739 1.00 1.00 C ATOM 10 C SER A 40 -0.258 -0.586 -5.126 1.00 1.00 C ATOM 11 O SER A 40 0.187 0.555 -5.263 1.00 1.00 O ATOM 12 CB SER A 40 -2.053 -1.068 -3.452 1.00 1.00 C ATOM 13 OG SER A 40 -2.320 -1.259 -2.073 1.00 1.00 O ATOM 0 H SER A 40 -0.280 0.392 -2.343 1.00 1.00 H new ATOM 0 HA SER A 40 -0.241 -2.192 -3.716 1.00 1.00 H new ATOM 0 HB2 SER A 40 -2.436 -0.098 -3.769 1.00 1.00 H new ATOM 0 HB3 SER A 40 -2.579 -1.824 -4.035 1.00 1.00 H new ATOM 0 HG SER A 40 -3.286 -1.201 -1.916 1.00 1.00 H new ATOM 19 N CYS A 41 -0.509 -1.393 -6.150 1.00 1.00 N ATOM 20 CA CYS A 41 -0.272 -0.976 -7.528 1.00 1.00 C ATOM 21 C CYS A 41 -1.519 -1.184 -8.381 1.00 1.00 C ATOM 22 O CYS A 41 -2.337 -2.061 -8.102 1.00 1.00 O ATOM 23 CB CYS A 41 0.903 -1.754 -8.122 1.00 1.00 C ATOM 24 SG CYS A 41 2.510 -1.317 -7.418 1.00 1.00 S ATOM 0 H CYS A 41 -0.876 -2.340 -6.053 1.00 1.00 H new ATOM 0 HA CYS A 41 -0.030 0.087 -7.524 1.00 1.00 H new ATOM 0 HB2 CYS A 41 0.731 -2.820 -7.973 1.00 1.00 H new ATOM 0 HB3 CYS A 41 0.931 -1.583 -9.198 1.00 1.00 H new ATOM 0 HG CYS A 41 3.439 -2.029 -7.983 1.00 1.00 H new ATOM 30 N LYS A 42 -1.659 -0.371 -9.422 1.00 1.00 N ATOM 31 CA LYS A 42 -2.805 -0.466 -10.319 1.00 1.00 C ATOM 32 C LYS A 42 -2.495 0.176 -11.668 1.00 1.00 C ATOM 33 O LYS A 42 -1.927 1.267 -11.730 1.00 1.00 O ATOM 34 CB LYS A 42 -4.028 0.207 -9.691 1.00 1.00 C ATOM 35 CG LYS A 42 -3.949 1.724 -9.680 1.00 1.00 C ATOM 36 CD LYS A 42 -4.648 2.327 -10.886 1.00 1.00 C ATOM 37 CE LYS A 42 -5.307 3.654 -10.542 1.00 1.00 C ATOM 38 NZ LYS A 42 -4.306 4.690 -10.164 1.00 1.00 N ATOM 0 H LYS A 42 -0.993 0.362 -9.666 1.00 1.00 H new ATOM 0 HA LYS A 42 -3.022 -1.522 -10.480 1.00 1.00 H new ATOM 0 HB2 LYS A 42 -4.921 -0.098 -10.237 1.00 1.00 H new ATOM 0 HB3 LYS A 42 -4.143 -0.150 -8.668 1.00 1.00 H new ATOM 0 HG2 LYS A 42 -4.404 2.106 -8.766 1.00 1.00 H new ATOM 0 HG3 LYS A 42 -2.904 2.035 -9.671 1.00 1.00 H new ATOM 0 HD2 LYS A 42 -3.927 2.475 -11.690 1.00 1.00 H new ATOM 0 HD3 LYS A 42 -5.400 1.631 -11.257 1.00 1.00 H new ATOM 0 HE2 LYS A 42 -5.886 4.004 -11.396 1.00 1.00 H new ATOM 0 HE3 LYS A 42 -6.008 3.509 -9.720 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 -4.793 5.588 -9.970 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 -3.793 4.383 -9.313 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 -3.632 4.823 -10.945 1.00 1.00 H new ATOM 52 N ILE A 43 -2.873 -0.507 -12.743 1.00 1.00 N ATOM 53 CA ILE A 43 -2.637 -0.001 -14.090 1.00 1.00 C ATOM 54 C ILE A 43 -3.770 0.916 -14.539 1.00 1.00 C ATOM 55 O ILE A 43 -4.951 0.611 -14.374 1.00 1.00 O ATOM 56 CB ILE A 43 -2.488 -1.150 -15.105 1.00 1.00 C ATOM 57 CG1 ILE A 43 -1.388 -2.114 -14.659 1.00 1.00 C ATOM 58 CG2 ILE A 43 -2.187 -0.597 -16.490 1.00 1.00 C ATOM 59 CD1 ILE A 43 -1.890 -3.241 -13.783 1.00 1.00 C ATOM 0 H ILE A 43 -3.344 -1.411 -12.708 1.00 1.00 H new ATOM 0 HA ILE A 43 -1.706 0.565 -14.056 1.00 1.00 H new ATOM 0 HB ILE A 43 -3.428 -1.699 -15.151 1.00 1.00 H new ATOM 0 HG12 ILE A 43 -0.907 -2.537 -15.541 1.00 1.00 H new ATOM 0 HG13 ILE A 43 -0.625 -1.556 -14.117 1.00 1.00 H new ATOM 0 HG21 ILE A 43 -2.084 -1.421 -17.196 1.00 1.00 H new ATOM 0 HG22 ILE A 43 -3.002 0.053 -16.807 1.00 1.00 H new ATOM 0 HG23 ILE A 43 -1.258 -0.027 -16.460 1.00 1.00 H new ATOM 0 HD11 ILE A 43 -1.056 -3.885 -13.505 1.00 1.00 H new ATOM 0 HD12 ILE A 43 -2.345 -2.827 -12.883 1.00 1.00 H new ATOM 0 HD13 ILE A 43 -2.632 -3.824 -14.329 1.00 1.00 H new ATOM 71 N PRO A 44 -3.403 2.067 -15.122 1.00 1.00 N ATOM 72 CA PRO A 44 -4.374 3.051 -15.610 1.00 1.00 C ATOM 73 C PRO A 44 -5.133 2.557 -16.837 1.00 1.00 C ATOM 74 O PRO A 44 -4.965 1.415 -17.265 1.00 1.00 O ATOM 75 CB PRO A 44 -3.505 4.258 -15.970 1.00 1.00 C ATOM 76 CG PRO A 44 -2.161 3.685 -16.259 1.00 1.00 C ATOM 77 CD PRO A 44 -2.013 2.496 -15.351 1.00 1.00 C ATOM 0 HA PRO A 44 -5.143 3.268 -14.868 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -3.903 4.789 -16.835 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -3.462 4.974 -15.149 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -2.080 3.390 -17.305 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -1.376 4.418 -16.073 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -1.420 1.708 -15.815 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -1.516 2.762 -14.418 1.00 1.00 H new ATOM 85 N SER A 45 -5.969 3.425 -17.399 1.00 1.00 N ATOM 86 CA SER A 45 -6.757 3.075 -18.575 1.00 1.00 C ATOM 87 C SER A 45 -6.185 3.733 -19.828 1.00 1.00 C ATOM 88 O SER A 45 -6.292 3.193 -20.929 1.00 1.00 O ATOM 89 CB SER A 45 -8.214 3.499 -18.383 1.00 1.00 C ATOM 90 OG SER A 45 -8.625 3.317 -17.039 1.00 1.00 O ATOM 0 H SER A 45 -6.118 4.375 -17.059 1.00 1.00 H new ATOM 0 HA SER A 45 -6.714 1.993 -18.702 1.00 1.00 H new ATOM 0 HB2 SER A 45 -8.332 4.546 -18.664 1.00 1.00 H new ATOM 0 HB3 SER A 45 -8.856 2.917 -19.045 1.00 1.00 H new ATOM 0 HG SER A 45 -9.559 3.597 -16.942 1.00 1.00 H new ATOM 96 N ILE A 46 -5.578 4.901 -19.650 1.00 1.00 N ATOM 97 CA ILE A 46 -4.988 5.632 -20.764 1.00 1.00 C ATOM 98 C ILE A 46 -3.907 4.807 -21.453 1.00 1.00 C ATOM 99 O ILE A 46 -3.523 5.091 -22.587 1.00 1.00 O ATOM 100 CB ILE A 46 -4.380 6.970 -20.302 1.00 1.00 C ATOM 101 CG1 ILE A 46 -5.452 7.841 -19.642 1.00 1.00 C ATOM 102 CG2 ILE A 46 -3.747 7.699 -21.477 1.00 1.00 C ATOM 103 CD1 ILE A 46 -5.455 7.754 -18.132 1.00 1.00 C ATOM 0 H ILE A 46 -5.482 5.361 -18.745 1.00 1.00 H new ATOM 0 HA ILE A 46 -5.794 5.833 -21.470 1.00 1.00 H new ATOM 0 HB ILE A 46 -3.602 6.764 -19.567 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -5.298 8.879 -19.938 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -6.431 7.544 -20.017 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -3.322 8.642 -21.134 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -2.959 7.081 -21.907 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -4.506 7.897 -22.234 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -6.240 8.396 -17.732 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -5.639 6.724 -17.827 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -4.488 8.079 -17.747 1.00 1.00 H new ATOM 115 N ALA A 47 -3.421 3.782 -20.760 1.00 1.00 N ATOM 116 CA ALA A 47 -2.387 2.912 -21.306 1.00 1.00 C ATOM 117 C ALA A 47 -2.986 1.616 -21.841 1.00 1.00 C ATOM 118 O ALA A 47 -2.399 0.954 -22.698 1.00 1.00 O ATOM 119 CB ALA A 47 -1.335 2.613 -20.248 1.00 1.00 C ATOM 0 H ALA A 47 -3.727 3.534 -19.819 1.00 1.00 H new ATOM 0 HA ALA A 47 -1.912 3.432 -22.138 1.00 1.00 H new ATOM 0 HB1 ALA A 47 -0.569 1.962 -20.670 1.00 1.00 H new ATOM 0 HB2 ALA A 47 -0.877 3.545 -19.917 1.00 1.00 H new ATOM 0 HB3 ALA A 47 -1.804 2.117 -19.398 1.00 1.00 H new ATOM 125 N THR A 48 -4.159 1.256 -21.328 1.00 1.00 N ATOM 126 CA THR A 48 -4.837 0.037 -21.753 1.00 1.00 C ATOM 127 C THR A 48 -5.216 0.104 -23.228 1.00 1.00 C ATOM 128 O THR A 48 -4.838 -0.761 -24.016 1.00 1.00 O ATOM 129 CB THR A 48 -6.107 -0.218 -20.919 1.00 1.00 C ATOM 130 OG1 THR A 48 -7.043 0.848 -21.113 1.00 1.00 O ATOM 131 CG2 THR A 48 -5.768 -0.341 -19.441 1.00 1.00 C ATOM 0 H THR A 48 -4.659 1.791 -20.618 1.00 1.00 H new ATOM 0 HA THR A 48 -4.138 -0.785 -21.598 1.00 1.00 H new ATOM 0 HB THR A 48 -6.552 -1.156 -21.252 1.00 1.00 H new ATOM 0 HG1 THR A 48 -6.586 1.708 -21.005 1.00 1.00 H new ATOM 0 HG21 THR A 48 -6.680 -0.521 -18.872 1.00 1.00 H new ATOM 0 HG22 THR A 48 -5.079 -1.173 -19.294 1.00 1.00 H new ATOM 0 HG23 THR A 48 -5.302 0.582 -19.097 1.00 1.00 H new ATOM 139 N GLY A 49 -5.965 1.140 -23.595 1.00 1.00 N ATOM 140 CA GLY A 49 -6.382 1.301 -24.976 1.00 1.00 C ATOM 141 C GLY A 49 -5.230 1.153 -25.950 1.00 1.00 C ATOM 142 O GLY A 49 -5.371 0.519 -26.996 1.00 1.00 O ATOM 0 H GLY A 49 -6.290 1.870 -22.961 1.00 1.00 H new ATOM 0 HA2 GLY A 49 -7.148 0.562 -25.209 1.00 1.00 H new ATOM 0 HA3 GLY A 49 -6.837 2.283 -25.103 1.00 1.00 H new ATOM 146 N MET A 50 -4.089 1.742 -25.609 1.00 1.00 N ATOM 147 CA MET A 50 -2.909 1.675 -26.463 1.00 1.00 C ATOM 148 C MET A 50 -2.440 0.233 -26.630 1.00 1.00 C ATOM 149 O MET A 50 -2.167 -0.217 -27.743 1.00 1.00 O ATOM 150 CB MET A 50 -1.781 2.526 -25.879 1.00 1.00 C ATOM 151 CG MET A 50 -1.981 4.020 -26.079 1.00 1.00 C ATOM 152 SD MET A 50 -1.572 4.558 -27.751 1.00 1.00 S ATOM 153 CE MET A 50 -3.180 4.471 -28.536 1.00 1.00 C ATOM 0 H MET A 50 -3.956 2.271 -24.747 1.00 1.00 H new ATOM 0 HA MET A 50 -3.179 2.067 -27.444 1.00 1.00 H new ATOM 0 HB2 MET A 50 -1.695 2.319 -24.812 1.00 1.00 H new ATOM 0 HB3 MET A 50 -0.838 2.229 -26.338 1.00 1.00 H new ATOM 0 HG2 MET A 50 -3.018 4.276 -25.863 1.00 1.00 H new ATOM 0 HG3 MET A 50 -1.363 4.564 -25.365 1.00 1.00 H new ATOM 0 HE1 MET A 50 -3.155 3.731 -29.336 1.00 1.00 H new ATOM 0 HE2 MET A 50 -3.930 4.183 -27.799 1.00 1.00 H new ATOM 0 HE3 MET A 50 -3.435 5.446 -28.952 1.00 1.00 H new ATOM 163 N VAL A 51 -2.348 -0.487 -25.516 1.00 1.00 N ATOM 164 CA VAL A 51 -1.913 -1.879 -25.539 1.00 1.00 C ATOM 165 C VAL A 51 -2.782 -2.711 -26.475 1.00 1.00 C ATOM 166 O VAL A 51 -2.285 -3.325 -27.419 1.00 1.00 O ATOM 167 CB VAL A 51 -1.951 -2.502 -24.131 1.00 1.00 C ATOM 168 CG1 VAL A 51 -1.362 -3.905 -24.152 1.00 1.00 C ATOM 169 CG2 VAL A 51 -1.212 -1.619 -23.138 1.00 1.00 C ATOM 0 H VAL A 51 -2.569 -0.129 -24.587 1.00 1.00 H new ATOM 0 HA VAL A 51 -0.885 -1.884 -25.903 1.00 1.00 H new ATOM 0 HB VAL A 51 -2.991 -2.575 -23.813 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -1.397 -4.329 -23.149 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -1.939 -4.532 -24.832 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -0.327 -3.860 -24.491 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -1.249 -2.074 -22.148 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -0.173 -1.512 -23.450 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -1.684 -0.637 -23.103 1.00 1.00 H new ATOM 179 N GLY A 52 -4.084 -2.726 -26.208 1.00 1.00 N ATOM 180 CA GLY A 52 -5.003 -3.484 -27.037 1.00 1.00 C ATOM 181 C GLY A 52 -4.826 -3.194 -28.514 1.00 1.00 C ATOM 182 O GLY A 52 -4.818 -4.109 -29.337 1.00 1.00 O ATOM 0 H GLY A 52 -4.519 -2.227 -25.432 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -4.854 -4.549 -26.859 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -6.027 -3.252 -26.745 1.00 1.00 H new ATOM 186 N ALA A 53 -4.686 -1.916 -28.852 1.00 1.00 N ATOM 187 CA ALA A 53 -4.508 -1.508 -30.240 1.00 1.00 C ATOM 188 C ALA A 53 -3.131 -1.911 -30.758 1.00 1.00 C ATOM 189 O ALA A 53 -2.975 -2.260 -31.929 1.00 1.00 O ATOM 190 CB ALA A 53 -4.707 -0.006 -30.378 1.00 1.00 C ATOM 0 H ALA A 53 -4.692 -1.146 -28.183 1.00 1.00 H new ATOM 0 HA ALA A 53 -5.258 -2.020 -30.843 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -4.571 0.285 -31.420 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -5.714 0.259 -30.056 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -3.979 0.516 -29.758 1.00 1.00 H new ATOM 196 N LEU A 54 -2.135 -1.859 -29.881 1.00 1.00 N ATOM 197 CA LEU A 54 -0.770 -2.218 -30.250 1.00 1.00 C ATOM 198 C LEU A 54 -0.705 -3.652 -30.766 1.00 1.00 C ATOM 199 O LEU A 54 -0.134 -3.917 -31.825 1.00 1.00 O ATOM 200 CB LEU A 54 0.164 -2.052 -29.050 1.00 1.00 C ATOM 201 CG LEU A 54 0.818 -0.679 -28.894 1.00 1.00 C ATOM 202 CD1 LEU A 54 1.241 -0.450 -27.451 1.00 1.00 C ATOM 203 CD2 LEU A 54 2.012 -0.547 -29.829 1.00 1.00 C ATOM 0 H LEU A 54 -2.247 -1.572 -28.909 1.00 1.00 H new ATOM 0 HA LEU A 54 -0.447 -1.550 -31.048 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -0.400 -2.269 -28.143 1.00 1.00 H new ATOM 0 HB3 LEU A 54 0.952 -2.802 -29.122 1.00 1.00 H new ATOM 0 HG LEU A 54 0.086 0.083 -29.162 1.00 1.00 H new ATOM 0 HD11 LEU A 54 1.705 0.532 -27.359 1.00 1.00 H new ATOM 0 HD12 LEU A 54 0.366 -0.500 -26.803 1.00 1.00 H new ATOM 0 HD13 LEU A 54 1.956 -1.218 -27.155 1.00 1.00 H new ATOM 0 HD21 LEU A 54 2.465 0.437 -29.704 1.00 1.00 H new ATOM 0 HD22 LEU A 54 2.746 -1.317 -29.593 1.00 1.00 H new ATOM 0 HD23 LEU A 54 1.681 -0.666 -30.861 1.00 1.00 H new ATOM 215 N LEU A 55 -1.294 -4.573 -30.012 1.00 1.00 N ATOM 216 CA LEU A 55 -1.304 -5.982 -30.392 1.00 1.00 C ATOM 217 C LEU A 55 -2.149 -6.202 -31.643 1.00 1.00 C ATOM 218 O LEU A 55 -1.716 -6.859 -32.590 1.00 1.00 O ATOM 219 CB LEU A 55 -1.840 -6.837 -29.243 1.00 1.00 C ATOM 220 CG LEU A 55 -1.401 -6.425 -27.838 1.00 1.00 C ATOM 221 CD1 LEU A 55 -1.728 -7.519 -26.834 1.00 1.00 C ATOM 222 CD2 LEU A 55 0.087 -6.106 -27.816 1.00 1.00 C ATOM 0 H LEU A 55 -1.771 -4.370 -29.134 1.00 1.00 H new ATOM 0 HA LEU A 55 -0.279 -6.281 -30.611 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -2.929 -6.820 -29.281 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -1.532 -7.869 -29.410 1.00 1.00 H new ATOM 0 HG LEU A 55 -1.949 -5.526 -27.556 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -1.408 -7.208 -25.840 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -2.803 -7.699 -26.830 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -1.208 -8.435 -27.112 1.00 1.00 H new ATOM 0 HD21 LEU A 55 0.382 -5.815 -26.808 1.00 1.00 H new ATOM 0 HD22 LEU A 55 0.653 -6.987 -28.119 1.00 1.00 H new ATOM 0 HD23 LEU A 55 0.294 -5.287 -28.505 1.00 1.00 H new ATOM 234 N LEU A 56 -3.356 -5.647 -31.640 1.00 1.00 N ATOM 235 CA LEU A 56 -4.261 -5.778 -32.777 1.00 1.00 C ATOM 236 C LEU A 56 -3.561 -5.393 -34.077 1.00 1.00 C ATOM 237 O LEU A 56 -3.463 -6.199 -35.003 1.00 1.00 O ATOM 238 CB LEU A 56 -5.498 -4.902 -32.572 1.00 1.00 C ATOM 239 CG LEU A 56 -6.794 -5.413 -33.202 1.00 1.00 C ATOM 240 CD1 LEU A 56 -7.238 -6.706 -32.536 1.00 1.00 C ATOM 241 CD2 LEU A 56 -7.887 -4.359 -33.106 1.00 1.00 C ATOM 0 H LEU A 56 -3.731 -5.102 -30.863 1.00 1.00 H new ATOM 0 HA LEU A 56 -4.569 -6.821 -32.847 1.00 1.00 H new ATOM 0 HB2 LEU A 56 -5.661 -4.783 -31.501 1.00 1.00 H new ATOM 0 HB3 LEU A 56 -5.288 -3.911 -32.975 1.00 1.00 H new ATOM 0 HG LEU A 56 -6.606 -5.617 -34.256 1.00 1.00 H new ATOM 0 HD11 LEU A 56 -8.162 -7.054 -32.998 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -6.463 -7.463 -32.658 1.00 1.00 H new ATOM 0 HD13 LEU A 56 -7.407 -6.529 -31.474 1.00 1.00 H new ATOM 0 HD21 LEU A 56 -8.802 -4.741 -33.560 1.00 1.00 H new ATOM 0 HD22 LEU A 56 -8.073 -4.122 -32.058 1.00 1.00 H new ATOM 0 HD23 LEU A 56 -7.571 -3.458 -33.631 1.00 1.00 H new ATOM 253 N LEU A 57 -3.074 -4.159 -34.138 1.00 1.00 N ATOM 254 CA LEU A 57 -2.382 -3.668 -35.324 1.00 1.00 C ATOM 255 C LEU A 57 -1.218 -4.582 -35.693 1.00 1.00 C ATOM 256 O LEU A 57 -0.995 -4.877 -36.868 1.00 1.00 O ATOM 257 CB LEU A 57 -1.872 -2.245 -35.088 1.00 1.00 C ATOM 258 CG LEU A 57 -2.944 -1.172 -34.889 1.00 1.00 C ATOM 259 CD1 LEU A 57 -2.307 0.202 -34.761 1.00 1.00 C ATOM 260 CD2 LEU A 57 -3.941 -1.195 -36.039 1.00 1.00 C ATOM 0 H LEU A 57 -3.145 -3.480 -33.380 1.00 1.00 H new ATOM 0 HA LEU A 57 -3.091 -3.661 -36.152 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -1.227 -2.253 -34.210 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -1.252 -1.957 -35.937 1.00 1.00 H new ATOM 0 HG LEU A 57 -3.480 -1.388 -33.965 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -3.085 0.952 -34.620 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -1.634 0.212 -33.904 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -1.745 0.428 -35.667 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -4.696 -0.425 -35.881 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -3.419 -1.004 -36.977 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -4.422 -2.172 -36.084 1.00 1.00 H new ATOM 272 N LEU A 58 -0.480 -5.029 -34.682 1.00 1.00 N ATOM 273 CA LEU A 58 0.660 -5.913 -34.900 1.00 1.00 C ATOM 274 C LEU A 58 0.236 -7.175 -35.645 1.00 1.00 C ATOM 275 O LEU A 58 0.843 -7.548 -36.649 1.00 1.00 O ATOM 276 CB LEU A 58 1.302 -6.287 -33.563 1.00 1.00 C ATOM 277 CG LEU A 58 2.413 -5.360 -33.069 1.00 1.00 C ATOM 278 CD1 LEU A 58 2.636 -5.542 -31.576 1.00 1.00 C ATOM 279 CD2 LEU A 58 3.702 -5.616 -33.837 1.00 1.00 C ATOM 0 H LEU A 58 -0.651 -4.794 -33.704 1.00 1.00 H new ATOM 0 HA LEU A 58 1.390 -5.381 -35.511 1.00 1.00 H new ATOM 0 HB2 LEU A 58 0.520 -6.321 -32.804 1.00 1.00 H new ATOM 0 HB3 LEU A 58 1.708 -7.295 -33.647 1.00 1.00 H new ATOM 0 HG LEU A 58 2.105 -4.330 -33.247 1.00 1.00 H new ATOM 0 HD11 LEU A 58 3.430 -4.874 -31.243 1.00 1.00 H new ATOM 0 HD12 LEU A 58 1.716 -5.308 -31.040 1.00 1.00 H new ATOM 0 HD13 LEU A 58 2.921 -6.574 -31.374 1.00 1.00 H new ATOM 0 HD21 LEU A 58 4.482 -4.947 -33.472 1.00 1.00 H new ATOM 0 HD22 LEU A 58 4.013 -6.650 -33.691 1.00 1.00 H new ATOM 0 HD23 LEU A 58 3.535 -5.434 -34.899 1.00 1.00 H new ATOM 291 N VAL A 59 -0.810 -7.826 -35.147 1.00 1.00 N ATOM 292 CA VAL A 59 -1.315 -9.046 -35.765 1.00 1.00 C ATOM 293 C VAL A 59 -1.903 -8.762 -37.143 1.00 1.00 C ATOM 294 O VAL A 59 -1.619 -9.470 -38.109 1.00 1.00 O ATOM 295 CB VAL A 59 -2.391 -9.716 -34.889 1.00 1.00 C ATOM 296 CG1 VAL A 59 -2.750 -11.088 -35.439 1.00 1.00 C ATOM 297 CG2 VAL A 59 -1.915 -9.818 -33.447 1.00 1.00 C ATOM 0 H VAL A 59 -1.324 -7.529 -34.318 1.00 1.00 H new ATOM 0 HA VAL A 59 -0.467 -9.723 -35.867 1.00 1.00 H new ATOM 0 HB VAL A 59 -3.288 -9.098 -34.909 1.00 1.00 H new ATOM 0 HG11 VAL A 59 -3.511 -11.546 -34.807 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -3.135 -10.984 -36.453 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -1.861 -11.719 -35.451 1.00 1.00 H new ATOM 0 HG21 VAL A 59 -2.687 -10.294 -32.842 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -1.003 -10.414 -33.406 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -1.713 -8.820 -33.059 1.00 1.00 H new ATOM 307 N VAL A 60 -2.723 -7.719 -37.226 1.00 1.00 N ATOM 308 CA VAL A 60 -3.351 -7.340 -38.486 1.00 1.00 C ATOM 309 C VAL A 60 -2.309 -7.126 -39.578 1.00 1.00 C ATOM 310 O VAL A 60 -2.353 -7.767 -40.627 1.00 1.00 O ATOM 311 CB VAL A 60 -4.188 -6.056 -38.332 1.00 1.00 C ATOM 312 CG1 VAL A 60 -4.798 -5.653 -39.666 1.00 1.00 C ATOM 313 CG2 VAL A 60 -5.268 -6.248 -37.278 1.00 1.00 C ATOM 0 H VAL A 60 -2.968 -7.122 -36.436 1.00 1.00 H new ATOM 0 HA VAL A 60 -4.008 -8.162 -38.771 1.00 1.00 H new ATOM 0 HB VAL A 60 -3.531 -5.251 -38.003 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -5.386 -4.744 -39.538 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -4.003 -5.472 -40.390 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -5.443 -6.454 -40.028 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -5.850 -5.331 -37.182 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -5.925 -7.065 -37.575 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -4.804 -6.485 -36.321 1.00 1.00 H new ATOM 323 N ALA A 61 -1.370 -6.221 -39.322 1.00 1.00 N ATOM 324 CA ALA A 61 -0.313 -5.924 -40.281 1.00 1.00 C ATOM 325 C ALA A 61 0.549 -7.154 -40.546 1.00 1.00 C ATOM 326 O ALA A 61 1.042 -7.351 -41.657 1.00 1.00 O ATOM 327 CB ALA A 61 0.546 -4.772 -39.781 1.00 1.00 C ATOM 0 H ALA A 61 -1.320 -5.681 -38.458 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.781 -5.631 -41.221 1.00 1.00 H new ATOM 0 HB1 ALA A 61 1.331 -4.562 -40.507 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -0.075 -3.885 -39.650 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.998 -5.043 -38.827 1.00 1.00 H new ATOM 333 N LEU A 62 0.728 -7.977 -39.519 1.00 1.00 N ATOM 334 CA LEU A 62 1.533 -9.188 -39.640 1.00 1.00 C ATOM 335 C LEU A 62 0.895 -10.170 -40.618 1.00 1.00 C ATOM 336 O LEU A 62 1.495 -10.532 -41.629 1.00 1.00 O ATOM 337 CB LEU A 62 1.702 -9.850 -38.272 1.00 1.00 C ATOM 338 CG LEU A 62 2.917 -9.406 -37.457 1.00 1.00 C ATOM 339 CD1 LEU A 62 2.745 -9.784 -35.994 1.00 1.00 C ATOM 340 CD2 LEU A 62 4.191 -10.016 -38.022 1.00 1.00 C ATOM 0 H LEU A 62 0.327 -7.828 -38.593 1.00 1.00 H new ATOM 0 HA LEU A 62 2.514 -8.907 -40.024 1.00 1.00 H new ATOM 0 HB2 LEU A 62 0.805 -9.657 -37.684 1.00 1.00 H new ATOM 0 HB3 LEU A 62 1.762 -10.929 -38.417 1.00 1.00 H new ATOM 0 HG LEU A 62 2.998 -8.321 -37.523 1.00 1.00 H new ATOM 0 HD11 LEU A 62 3.619 -9.460 -35.429 1.00 1.00 H new ATOM 0 HD12 LEU A 62 1.855 -9.298 -35.595 1.00 1.00 H new ATOM 0 HD13 LEU A 62 2.637 -10.865 -35.908 1.00 1.00 H new ATOM 0 HD21 LEU A 62 5.045 -9.689 -37.429 1.00 1.00 H new ATOM 0 HD22 LEU A 62 4.120 -11.103 -37.987 1.00 1.00 H new ATOM 0 HD23 LEU A 62 4.322 -9.694 -39.055 1.00 1.00 H new ATOM 352 N GLY A 63 -0.327 -10.595 -40.310 1.00 1.00 N ATOM 353 CA GLY A 63 -1.026 -11.529 -41.172 1.00 1.00 C ATOM 354 C GLY A 63 -1.079 -11.061 -42.613 1.00 1.00 C ATOM 355 O GLY A 63 -0.782 -11.824 -43.532 1.00 1.00 O ATOM 0 H GLY A 63 -0.845 -10.309 -39.479 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -0.532 -12.500 -41.127 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -2.041 -11.670 -40.802 1.00 1.00 H new ATOM 359 N ILE A 64 -1.461 -9.803 -42.810 1.00 1.00 N ATOM 360 CA ILE A 64 -1.553 -9.235 -44.149 1.00 1.00 C ATOM 361 C ILE A 64 -0.177 -9.126 -44.797 1.00 1.00 C ATOM 362 O ILE A 64 -0.011 -9.420 -45.980 1.00 1.00 O ATOM 363 CB ILE A 64 -2.209 -7.841 -44.126 1.00 1.00 C ATOM 364 CG1 ILE A 64 -3.607 -7.922 -43.509 1.00 1.00 C ATOM 365 CG2 ILE A 64 -2.276 -7.264 -45.531 1.00 1.00 C ATOM 366 CD1 ILE A 64 -4.245 -6.570 -43.280 1.00 1.00 C ATOM 0 H ILE A 64 -1.711 -9.159 -42.060 1.00 1.00 H new ATOM 0 HA ILE A 64 -2.175 -9.911 -44.735 1.00 1.00 H new ATOM 0 HB ILE A 64 -1.599 -7.178 -43.512 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -4.250 -8.512 -44.162 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -3.546 -8.452 -42.558 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -2.742 -6.279 -45.498 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -1.268 -7.175 -45.936 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.866 -7.923 -46.167 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -5.234 -6.704 -42.841 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.623 -5.984 -42.603 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -4.339 -6.046 -44.231 1.00 1.00 H new ATOM 378 N GLY A 65 0.809 -8.703 -44.011 1.00 1.00 N ATOM 379 CA GLY A 65 2.160 -8.567 -44.524 1.00 1.00 C ATOM 380 C GLY A 65 2.745 -9.890 -44.975 1.00 1.00 C ATOM 381 O GLY A 65 3.280 -9.997 -46.079 1.00 1.00 O ATOM 0 H GLY A 65 0.696 -8.452 -43.029 1.00 1.00 H new ATOM 0 HA2 GLY A 65 2.159 -7.870 -45.362 1.00 1.00 H new ATOM 0 HA3 GLY A 65 2.797 -8.136 -43.751 1.00 1.00 H new ATOM 385 N LEU A 66 2.646 -10.901 -44.119 1.00 1.00 N ATOM 386 CA LEU A 66 3.171 -12.225 -44.434 1.00 1.00 C ATOM 387 C LEU A 66 2.428 -12.838 -45.617 1.00 1.00 C ATOM 388 O LEU A 66 2.998 -13.610 -46.389 1.00 1.00 O ATOM 389 CB LEU A 66 3.058 -13.143 -43.216 1.00 1.00 C ATOM 390 CG LEU A 66 3.933 -12.778 -42.017 1.00 1.00 C ATOM 391 CD1 LEU A 66 3.285 -13.242 -40.721 1.00 1.00 C ATOM 392 CD2 LEU A 66 5.322 -13.382 -42.166 1.00 1.00 C ATOM 0 H LEU A 66 2.207 -10.829 -43.201 1.00 1.00 H new ATOM 0 HA LEU A 66 4.221 -12.117 -44.704 1.00 1.00 H new ATOM 0 HB2 LEU A 66 2.018 -13.155 -42.891 1.00 1.00 H new ATOM 0 HB3 LEU A 66 3.307 -14.158 -43.527 1.00 1.00 H new ATOM 0 HG LEU A 66 4.032 -11.693 -41.982 1.00 1.00 H new ATOM 0 HD11 LEU A 66 3.923 -12.973 -39.879 1.00 1.00 H new ATOM 0 HD12 LEU A 66 2.313 -12.762 -40.608 1.00 1.00 H new ATOM 0 HD13 LEU A 66 3.154 -14.324 -40.746 1.00 1.00 H new ATOM 0 HD21 LEU A 66 5.931 -13.112 -41.303 1.00 1.00 H new ATOM 0 HD22 LEU A 66 5.242 -14.467 -42.228 1.00 1.00 H new ATOM 0 HD23 LEU A 66 5.789 -13.000 -43.074 1.00 1.00 H new ATOM 404 N PHE A 67 1.154 -12.487 -45.756 1.00 1.00 N ATOM 405 CA PHE A 67 0.334 -13.001 -46.847 1.00 1.00 C ATOM 406 C PHE A 67 0.698 -12.325 -48.165 1.00 1.00 C ATOM 407 O PHE A 67 0.865 -12.988 -49.189 1.00 1.00 O ATOM 408 CB PHE A 67 -1.150 -12.784 -46.543 1.00 1.00 C ATOM 409 CG PHE A 67 -2.056 -13.741 -47.264 1.00 1.00 C ATOM 410 CD1 PHE A 67 -2.165 -15.058 -46.850 1.00 1.00 C ATOM 411 CD2 PHE A 67 -2.797 -13.322 -48.358 1.00 1.00 C ATOM 412 CE1 PHE A 67 -2.997 -15.941 -47.512 1.00 1.00 C ATOM 413 CE2 PHE A 67 -3.632 -14.201 -49.023 1.00 1.00 C ATOM 414 CZ PHE A 67 -3.731 -15.512 -48.600 1.00 1.00 C ATOM 0 H PHE A 67 0.667 -11.849 -45.127 1.00 1.00 H new ATOM 0 HA PHE A 67 0.526 -14.070 -46.941 1.00 1.00 H new ATOM 0 HB2 PHE A 67 -1.311 -12.883 -45.469 1.00 1.00 H new ATOM 0 HB3 PHE A 67 -1.423 -11.764 -46.814 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -1.593 -15.399 -46.000 1.00 1.00 H new ATOM 0 HD2 PHE A 67 -2.721 -12.299 -48.694 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -3.073 -16.965 -47.179 1.00 1.00 H new ATOM 0 HE2 PHE A 67 -4.206 -13.863 -49.873 1.00 1.00 H new ATOM 0 HZ PHE A 67 -4.381 -16.200 -49.119 1.00 1.00 H new ATOM 424 N MET A 68 0.820 -11.002 -48.132 1.00 1.00 N ATOM 425 CA MET A 68 1.166 -10.237 -49.324 1.00 1.00 C ATOM 426 C MET A 68 2.627 -10.457 -49.706 1.00 1.00 C ATOM 427 O MET A 68 3.050 -10.105 -50.807 1.00 1.00 O ATOM 428 CB MET A 68 0.906 -8.747 -49.093 1.00 1.00 C ATOM 429 CG MET A 68 -0.517 -8.439 -48.657 1.00 1.00 C ATOM 430 SD MET A 68 -1.628 -8.169 -50.051 1.00 1.00 S ATOM 431 CE MET A 68 -3.136 -8.908 -49.430 1.00 1.00 C ATOM 0 H MET A 68 0.684 -10.438 -47.293 1.00 1.00 H new ATOM 0 HA MET A 68 0.538 -10.585 -50.144 1.00 1.00 H new ATOM 0 HB2 MET A 68 1.597 -8.379 -48.335 1.00 1.00 H new ATOM 0 HB3 MET A 68 1.122 -8.202 -50.012 1.00 1.00 H new ATOM 0 HG2 MET A 68 -0.894 -9.263 -48.052 1.00 1.00 H new ATOM 0 HG3 MET A 68 -0.515 -7.553 -48.022 1.00 1.00 H new ATOM 0 HE1 MET A 68 -3.921 -8.820 -50.181 1.00 1.00 H new ATOM 0 HE2 MET A 68 -2.961 -9.961 -49.210 1.00 1.00 H new ATOM 0 HE3 MET A 68 -3.445 -8.394 -48.520 1.00 1.00 H new ATOM 441 N ARG A 69 3.392 -11.041 -48.789 1.00 1.00 N ATOM 442 CA ARG A 69 4.805 -11.307 -49.030 1.00 1.00 C ATOM 443 C ARG A 69 4.981 -12.507 -49.957 1.00 1.00 C ATOM 444 O ARG A 69 6.092 -12.808 -50.394 1.00 1.00 O ATOM 445 CB ARG A 69 5.531 -11.560 -47.708 1.00 1.00 C ATOM 446 CG ARG A 69 6.099 -10.300 -47.075 1.00 1.00 C ATOM 447 CD ARG A 69 6.621 -10.569 -45.672 1.00 1.00 C ATOM 448 NE ARG A 69 7.562 -11.685 -45.642 1.00 1.00 N ATOM 449 CZ ARG A 69 8.125 -12.142 -44.529 1.00 1.00 C ATOM 450 NH1 ARG A 69 7.843 -11.582 -43.361 1.00 1.00 N ATOM 451 NH2 ARG A 69 8.972 -13.163 -44.583 1.00 1.00 N ATOM 0 H ARG A 69 3.057 -11.339 -47.873 1.00 1.00 H new ATOM 0 HA ARG A 69 5.237 -10.430 -49.512 1.00 1.00 H new ATOM 0 HB2 ARG A 69 4.840 -12.029 -47.007 1.00 1.00 H new ATOM 0 HB3 ARG A 69 6.342 -12.268 -47.878 1.00 1.00 H new ATOM 0 HG2 ARG A 69 6.906 -9.911 -47.696 1.00 1.00 H new ATOM 0 HG3 ARG A 69 5.327 -9.531 -47.036 1.00 1.00 H new ATOM 0 HD2 ARG A 69 7.109 -9.673 -45.289 1.00 1.00 H new ATOM 0 HD3 ARG A 69 5.783 -10.784 -45.009 1.00 1.00 H new ATOM 0 HE ARG A 69 7.800 -12.139 -46.524 1.00 1.00 H new ATOM 0 HH11 ARG A 69 7.192 -10.798 -43.315 1.00 1.00 H new ATOM 0 HH12 ARG A 69 8.277 -11.935 -42.508 1.00 1.00 H new ATOM 0 HH21 ARG A 69 9.191 -13.597 -45.480 1.00 1.00 H new ATOM 0 HH22 ARG A 69 9.404 -13.513 -43.728 1.00 1.00 H new ATOM 465 N ARG A 70 3.879 -13.188 -50.251 1.00 1.00 N ATOM 466 CA ARG A 70 3.912 -14.355 -51.124 1.00 1.00 C ATOM 467 C ARG A 70 3.844 -13.940 -52.591 1.00 1.00 C ATOM 468 O ARG A 70 4.536 -14.504 -53.438 1.00 1.00 O ATOM 469 CB ARG A 70 2.752 -15.297 -50.795 1.00 1.00 C ATOM 470 CG ARG A 70 2.615 -15.600 -49.312 1.00 1.00 C ATOM 471 CD ARG A 70 1.556 -16.660 -49.055 1.00 1.00 C ATOM 472 NE ARG A 70 1.919 -17.540 -47.948 1.00 1.00 N ATOM 473 CZ ARG A 70 2.766 -18.557 -48.064 1.00 1.00 C ATOM 474 NH1 ARG A 70 3.334 -18.820 -49.233 1.00 1.00 N ATOM 475 NH2 ARG A 70 3.046 -19.313 -47.010 1.00 1.00 N ATOM 0 H ARG A 70 2.952 -12.952 -49.897 1.00 1.00 H new ATOM 0 HA ARG A 70 4.854 -14.877 -50.956 1.00 1.00 H new ATOM 0 HB2 ARG A 70 1.823 -14.855 -51.154 1.00 1.00 H new ATOM 0 HB3 ARG A 70 2.890 -16.233 -51.337 1.00 1.00 H new ATOM 0 HG2 ARG A 70 3.573 -15.939 -48.919 1.00 1.00 H new ATOM 0 HG3 ARG A 70 2.355 -14.687 -48.776 1.00 1.00 H new ATOM 0 HD2 ARG A 70 0.604 -16.176 -48.836 1.00 1.00 H new ATOM 0 HD3 ARG A 70 1.411 -17.254 -49.957 1.00 1.00 H new ATOM 0 HE ARG A 70 1.499 -17.364 -47.035 1.00 1.00 H new ATOM 0 HH11 ARG A 70 3.121 -18.241 -50.045 1.00 1.00 H new ATOM 0 HH12 ARG A 70 3.984 -19.601 -49.320 1.00 1.00 H new ATOM 0 HH21 ARG A 70 2.611 -19.114 -46.109 1.00 1.00 H new ATOM 0 HH22 ARG A 70 3.696 -20.093 -47.101 1.00 1.00 H new ATOM 489 N ARG A 71 3.005 -12.951 -52.882 1.00 1.00 N ATOM 490 CA ARG A 71 2.844 -12.463 -54.246 1.00 1.00 C ATOM 491 C ARG A 71 3.850 -11.356 -54.550 1.00 1.00 C ATOM 492 O ARG A 71 4.291 -11.198 -55.688 1.00 1.00 O ATOM 493 CB ARG A 71 1.420 -11.946 -54.461 1.00 1.00 C ATOM 494 CG ARG A 71 0.455 -13.010 -54.957 1.00 1.00 C ATOM 495 CD ARG A 71 -0.360 -12.514 -56.142 1.00 1.00 C ATOM 496 NE ARG A 71 -1.218 -13.560 -56.692 1.00 1.00 N ATOM 497 CZ ARG A 71 -1.772 -13.497 -57.897 1.00 1.00 C ATOM 498 NH1 ARG A 71 -1.559 -12.445 -58.675 1.00 1.00 N ATOM 499 NH2 ARG A 71 -2.541 -14.489 -58.328 1.00 1.00 N ATOM 0 H ARG A 71 2.427 -12.472 -52.192 1.00 1.00 H new ATOM 0 HA ARG A 71 3.028 -13.294 -54.926 1.00 1.00 H new ATOM 0 HB2 ARG A 71 1.045 -11.537 -53.523 1.00 1.00 H new ATOM 0 HB3 ARG A 71 1.445 -11.126 -55.179 1.00 1.00 H new ATOM 0 HG2 ARG A 71 1.012 -13.902 -55.245 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -0.216 -13.300 -54.148 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -0.973 -11.668 -55.832 1.00 1.00 H new ATOM 0 HD3 ARG A 71 0.313 -12.152 -56.919 1.00 1.00 H new ATOM 0 HE ARG A 71 -1.402 -14.384 -56.119 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -0.968 -11.681 -58.348 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -1.986 -12.400 -59.600 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -2.707 -15.301 -57.733 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -2.966 -14.439 -59.254 1.00 1.00 H new ATOM 513 N HIS A 72 4.207 -10.590 -53.523 1.00 1.00 N ATOM 514 CA HIS A 72 5.162 -9.499 -53.679 1.00 1.00 C ATOM 515 C HIS A 72 6.531 -10.029 -54.093 1.00 1.00 C ATOM 516 O HIS A 72 7.391 -9.271 -54.542 1.00 1.00 O ATOM 517 CB HIS A 72 5.281 -8.707 -52.377 1.00 1.00 C ATOM 518 CG HIS A 72 4.319 -7.562 -52.282 1.00 1.00 C ATOM 519 ND1 HIS A 72 4.024 -6.737 -53.347 1.00 1.00 N ATOM 520 CD2 HIS A 72 3.583 -7.108 -51.241 1.00 1.00 C ATOM 521 CE1 HIS A 72 3.149 -5.824 -52.964 1.00 1.00 C ATOM 522 NE2 HIS A 72 2.865 -6.028 -51.690 1.00 1.00 N ATOM 0 H HIS A 72 3.849 -10.705 -52.575 1.00 1.00 H new ATOM 0 HA HIS A 72 4.795 -8.839 -54.465 1.00 1.00 H new ATOM 0 HB2 HIS A 72 5.116 -9.380 -51.536 1.00 1.00 H new ATOM 0 HB3 HIS A 72 6.298 -8.325 -52.285 1.00 1.00 H new ATOM 0 HD2 HIS A 72 3.564 -7.519 -50.243 1.00 1.00 H new ATOM 0 HE1 HIS A 72 2.736 -5.044 -53.586 1.00 1.00 H new ATOM 0 HE2 HIS A 72 2.217 -5.473 -51.131 1.00 1.00 H new ATOM 530 N ILE A 73 6.726 -11.335 -53.938 1.00 1.00 N ATOM 531 CA ILE A 73 7.990 -11.966 -54.295 1.00 1.00 C ATOM 532 C ILE A 73 8.414 -11.584 -55.710 1.00 1.00 C ATOM 533 O ILE A 73 9.604 -11.549 -56.025 1.00 1.00 O ATOM 534 CB ILE A 73 7.902 -13.500 -54.195 1.00 1.00 C ATOM 535 CG1 ILE A 73 7.567 -13.920 -52.762 1.00 1.00 C ATOM 536 CG2 ILE A 73 9.207 -14.136 -54.648 1.00 1.00 C ATOM 537 CD1 ILE A 73 8.566 -13.429 -51.739 1.00 1.00 C ATOM 0 H ILE A 73 6.024 -11.976 -53.568 1.00 1.00 H new ATOM 0 HA ILE A 73 8.734 -11.606 -53.585 1.00 1.00 H new ATOM 0 HB ILE A 73 7.105 -13.848 -54.852 1.00 1.00 H new ATOM 0 HG12 ILE A 73 6.578 -13.541 -52.503 1.00 1.00 H new ATOM 0 HG13 ILE A 73 7.515 -15.008 -52.714 1.00 1.00 H new ATOM 0 HG21 ILE A 73 9.129 -15.221 -54.571 1.00 1.00 H new ATOM 0 HG22 ILE A 73 9.407 -13.859 -55.683 1.00 1.00 H new ATOM 0 HG23 ILE A 73 10.022 -13.785 -54.015 1.00 1.00 H new ATOM 0 HD11 ILE A 73 8.265 -13.764 -50.746 1.00 1.00 H new ATOM 0 HD12 ILE A 73 9.553 -13.829 -51.973 1.00 1.00 H new ATOM 0 HD13 ILE A 73 8.602 -12.340 -51.759 1.00 1.00 H new ATOM 549 N VAL A 74 7.433 -11.295 -56.558 1.00 1.00 N ATOM 550 CA VAL A 74 7.704 -10.913 -57.939 1.00 1.00 C ATOM 551 C VAL A 74 8.403 -9.560 -58.007 1.00 1.00 C ATOM 552 O VAL A 74 8.301 -8.750 -57.085 1.00 1.00 O ATOM 553 CB VAL A 74 6.408 -10.851 -58.769 1.00 1.00 C ATOM 554 CG1 VAL A 74 6.728 -10.756 -60.253 1.00 1.00 C ATOM 555 CG2 VAL A 74 5.533 -12.062 -58.481 1.00 1.00 C ATOM 0 H VAL A 74 6.443 -11.318 -56.313 1.00 1.00 H new ATOM 0 HA VAL A 74 8.358 -11.678 -58.357 1.00 1.00 H new ATOM 0 HB VAL A 74 5.856 -9.956 -58.483 1.00 1.00 H new ATOM 0 HG11 VAL A 74 5.800 -10.713 -60.823 1.00 1.00 H new ATOM 0 HG12 VAL A 74 7.312 -9.855 -60.442 1.00 1.00 H new ATOM 0 HG13 VAL A 74 7.301 -11.631 -60.558 1.00 1.00 H new ATOM 0 HG21 VAL A 74 4.622 -12.002 -59.076 1.00 1.00 H new ATOM 0 HG22 VAL A 74 6.075 -12.972 -58.738 1.00 1.00 H new ATOM 0 HG23 VAL A 74 5.275 -12.081 -57.422 1.00 1.00 H new ATOM 565 N ARG A 75 9.112 -9.321 -59.105 1.00 1.00 N ATOM 566 CA ARG A 75 9.828 -8.065 -59.294 1.00 1.00 C ATOM 567 C ARG A 75 8.912 -6.872 -59.031 1.00 1.00 C ATOM 568 O ARG A 75 8.054 -6.542 -59.850 1.00 1.00 O ATOM 569 CB ARG A 75 10.393 -7.984 -60.714 1.00 1.00 C ATOM 570 CG ARG A 75 11.271 -9.167 -61.087 1.00 1.00 C ATOM 571 CD ARG A 75 10.529 -10.153 -61.976 1.00 1.00 C ATOM 572 NE ARG A 75 11.405 -10.751 -62.980 1.00 1.00 N ATOM 573 CZ ARG A 75 11.106 -11.858 -63.650 1.00 1.00 C ATOM 574 NH1 ARG A 75 9.958 -12.483 -63.425 1.00 1.00 N ATOM 575 NH2 ARG A 75 11.955 -12.342 -64.548 1.00 1.00 N ATOM 0 H ARG A 75 9.206 -9.981 -59.877 1.00 1.00 H new ATOM 0 HA ARG A 75 10.651 -8.034 -58.580 1.00 1.00 H new ATOM 0 HB2 ARG A 75 9.567 -7.918 -61.422 1.00 1.00 H new ATOM 0 HB3 ARG A 75 10.972 -7.066 -60.814 1.00 1.00 H new ATOM 0 HG2 ARG A 75 12.163 -8.811 -61.602 1.00 1.00 H new ATOM 0 HG3 ARG A 75 11.606 -9.673 -60.181 1.00 1.00 H new ATOM 0 HD2 ARG A 75 10.093 -10.940 -61.360 1.00 1.00 H new ATOM 0 HD3 ARG A 75 9.703 -9.643 -62.473 1.00 1.00 H new ATOM 0 HE ARG A 75 12.295 -10.293 -63.177 1.00 1.00 H new ATOM 0 HH11 ARG A 75 9.303 -12.114 -62.736 1.00 1.00 H new ATOM 0 HH12 ARG A 75 9.730 -13.333 -63.941 1.00 1.00 H new ATOM 0 HH21 ARG A 75 12.838 -11.864 -64.724 1.00 1.00 H new ATOM 0 HH22 ARG A 75 11.724 -13.192 -65.062 1.00 1.00 H new ATOM 589 N LYS A 76 9.101 -6.230 -57.883 1.00 1.00 N ATOM 590 CA LYS A 76 8.293 -5.075 -57.510 1.00 1.00 C ATOM 591 C LYS A 76 8.476 -3.938 -58.510 1.00 1.00 C ATOM 592 O LYS A 76 7.611 -3.072 -58.645 1.00 1.00 O ATOM 593 CB LYS A 76 8.667 -4.598 -56.105 1.00 1.00 C ATOM 594 CG LYS A 76 8.274 -5.571 -55.008 1.00 1.00 C ATOM 595 CD LYS A 76 9.360 -6.607 -54.766 1.00 1.00 C ATOM 596 CE LYS A 76 9.196 -7.281 -53.413 1.00 1.00 C ATOM 597 NZ LYS A 76 10.253 -6.862 -52.452 1.00 1.00 N ATOM 0 H LYS A 76 9.807 -6.490 -57.195 1.00 1.00 H new ATOM 0 HA LYS A 76 7.246 -5.377 -57.518 1.00 1.00 H new ATOM 0 HB2 LYS A 76 9.743 -4.430 -56.062 1.00 1.00 H new ATOM 0 HB3 LYS A 76 8.187 -3.638 -55.917 1.00 1.00 H new ATOM 0 HG2 LYS A 76 8.081 -5.023 -54.086 1.00 1.00 H new ATOM 0 HG3 LYS A 76 7.346 -6.073 -55.281 1.00 1.00 H new ATOM 0 HD2 LYS A 76 9.329 -7.359 -55.554 1.00 1.00 H new ATOM 0 HD3 LYS A 76 10.338 -6.129 -54.819 1.00 1.00 H new ATOM 0 HE2 LYS A 76 8.216 -7.038 -53.003 1.00 1.00 H new ATOM 0 HE3 LYS A 76 9.229 -8.363 -53.540 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 10.106 -7.344 -51.542 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 11.187 -7.116 -52.831 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 10.205 -5.833 -52.311 1.00 1.00 H new ATOM 611 N ARG A 77 9.606 -3.947 -59.210 1.00 1.00 N ATOM 612 CA ARG A 77 9.901 -2.916 -60.198 1.00 1.00 C ATOM 613 C ARG A 77 8.826 -2.876 -61.280 1.00 1.00 C ATOM 614 O ARG A 77 8.491 -1.811 -61.800 1.00 1.00 O ATOM 615 CB ARG A 77 11.270 -3.166 -60.834 1.00 1.00 C ATOM 616 CG ARG A 77 12.413 -2.477 -60.107 1.00 1.00 C ATOM 617 CD ARG A 77 12.574 -1.035 -60.561 1.00 1.00 C ATOM 618 NE ARG A 77 13.143 -0.944 -61.903 1.00 1.00 N ATOM 619 CZ ARG A 77 13.439 0.205 -62.500 1.00 1.00 C ATOM 620 NH1 ARG A 77 13.221 1.355 -61.876 1.00 1.00 N ATOM 621 NH2 ARG A 77 13.954 0.206 -63.723 1.00 1.00 N ATOM 0 H ARG A 77 10.332 -4.657 -59.111 1.00 1.00 H new ATOM 0 HA ARG A 77 9.915 -1.953 -59.688 1.00 1.00 H new ATOM 0 HB2 ARG A 77 11.460 -4.239 -60.858 1.00 1.00 H new ATOM 0 HB3 ARG A 77 11.249 -2.823 -61.868 1.00 1.00 H new ATOM 0 HG2 ARG A 77 12.230 -2.503 -59.033 1.00 1.00 H new ATOM 0 HG3 ARG A 77 13.340 -3.021 -60.286 1.00 1.00 H new ATOM 0 HD2 ARG A 77 11.603 -0.539 -60.544 1.00 1.00 H new ATOM 0 HD3 ARG A 77 13.216 -0.503 -59.858 1.00 1.00 H new ATOM 0 HE ARG A 77 13.323 -1.811 -62.410 1.00 1.00 H new ATOM 0 HH11 ARG A 77 12.825 1.358 -60.936 1.00 1.00 H new ATOM 0 HH12 ARG A 77 13.449 2.236 -62.336 1.00 1.00 H new ATOM 0 HH21 ARG A 77 14.123 -0.676 -64.206 1.00 1.00 H new ATOM 0 HH22 ARG A 77 14.181 1.089 -64.180 1.00 1.00 H new ATOM 635 N THR A 78 8.287 -4.044 -61.616 1.00 1.00 N ATOM 636 CA THR A 78 7.252 -4.143 -62.637 1.00 1.00 C ATOM 637 C THR A 78 6.110 -3.172 -62.358 1.00 1.00 C ATOM 638 O THR A 78 5.773 -2.337 -63.199 1.00 1.00 O ATOM 639 CB THR A 78 6.685 -5.573 -62.725 1.00 1.00 C ATOM 640 OG1 THR A 78 7.716 -6.527 -62.447 1.00 1.00 O ATOM 641 CG2 THR A 78 6.100 -5.838 -64.104 1.00 1.00 C ATOM 0 H THR A 78 8.551 -4.935 -61.195 1.00 1.00 H new ATOM 0 HA THR A 78 7.720 -3.886 -63.587 1.00 1.00 H new ATOM 0 HB THR A 78 5.891 -5.672 -61.985 1.00 1.00 H new ATOM 0 HG1 THR A 78 7.624 -6.849 -61.526 1.00 1.00 H new ATOM 0 HG21 THR A 78 5.706 -6.853 -64.143 1.00 1.00 H new ATOM 0 HG22 THR A 78 5.296 -5.129 -64.301 1.00 1.00 H new ATOM 0 HG23 THR A 78 6.879 -5.722 -64.858 1.00 1.00 H new ATOM 649 N LEU A 79 5.519 -3.286 -61.174 1.00 1.00 N ATOM 650 CA LEU A 79 4.414 -2.416 -60.784 1.00 1.00 C ATOM 651 C LEU A 79 4.847 -0.954 -60.782 1.00 1.00 C ATOM 652 O LEU A 79 4.121 -0.080 -61.256 1.00 1.00 O ATOM 653 CB LEU A 79 3.895 -2.809 -59.400 1.00 1.00 C ATOM 654 CG LEU A 79 2.787 -3.862 -59.373 1.00 1.00 C ATOM 655 CD1 LEU A 79 1.522 -3.323 -60.024 1.00 1.00 C ATOM 656 CD2 LEU A 79 3.245 -5.136 -60.067 1.00 1.00 C ATOM 0 H LEU A 79 5.786 -3.972 -60.467 1.00 1.00 H new ATOM 0 HA LEU A 79 3.613 -2.537 -61.513 1.00 1.00 H new ATOM 0 HB2 LEU A 79 4.734 -3.178 -58.811 1.00 1.00 H new ATOM 0 HB3 LEU A 79 3.528 -1.911 -58.903 1.00 1.00 H new ATOM 0 HG LEU A 79 2.563 -4.099 -58.333 1.00 1.00 H new ATOM 0 HD11 LEU A 79 0.744 -4.086 -59.996 1.00 1.00 H new ATOM 0 HD12 LEU A 79 1.183 -2.439 -59.484 1.00 1.00 H new ATOM 0 HD13 LEU A 79 1.731 -3.057 -61.060 1.00 1.00 H new ATOM 0 HD21 LEU A 79 2.444 -5.874 -60.038 1.00 1.00 H new ATOM 0 HD22 LEU A 79 3.497 -4.915 -61.104 1.00 1.00 H new ATOM 0 HD23 LEU A 79 4.123 -5.533 -59.557 1.00 1.00 H new ATOM 668 N ARG A 80 6.036 -0.695 -60.246 1.00 1.00 N ATOM 669 CA ARG A 80 6.566 0.662 -60.182 1.00 1.00 C ATOM 670 C ARG A 80 6.524 1.327 -61.554 1.00 1.00 C ATOM 671 O ARG A 80 6.261 2.525 -61.667 1.00 1.00 O ATOM 672 CB ARG A 80 8.001 0.647 -59.654 1.00 1.00 C ATOM 673 CG ARG A 80 8.092 0.583 -58.138 1.00 1.00 C ATOM 674 CD ARG A 80 9.482 0.957 -57.647 1.00 1.00 C ATOM 675 NE ARG A 80 9.521 1.135 -56.198 1.00 1.00 N ATOM 676 CZ ARG A 80 10.587 1.577 -55.540 1.00 1.00 C ATOM 677 NH1 ARG A 80 11.696 1.885 -56.198 1.00 1.00 N ATOM 678 NH2 ARG A 80 10.545 1.712 -54.221 1.00 1.00 N ATOM 0 H ARG A 80 6.650 -1.407 -59.850 1.00 1.00 H new ATOM 0 HA ARG A 80 5.941 1.238 -59.499 1.00 1.00 H new ATOM 0 HB2 ARG A 80 8.526 -0.209 -60.077 1.00 1.00 H new ATOM 0 HB3 ARG A 80 8.517 1.542 -60.003 1.00 1.00 H new ATOM 0 HG2 ARG A 80 7.356 1.257 -57.699 1.00 1.00 H new ATOM 0 HG3 ARG A 80 7.844 -0.423 -57.800 1.00 1.00 H new ATOM 0 HD2 ARG A 80 10.190 0.180 -57.936 1.00 1.00 H new ATOM 0 HD3 ARG A 80 9.803 1.878 -58.134 1.00 1.00 H new ATOM 0 HE ARG A 80 8.684 0.907 -55.662 1.00 1.00 H new ATOM 0 HH11 ARG A 80 11.732 1.783 -57.212 1.00 1.00 H new ATOM 0 HH12 ARG A 80 12.513 2.224 -55.690 1.00 1.00 H new ATOM 0 HH21 ARG A 80 9.694 1.476 -53.711 1.00 1.00 H new ATOM 0 HH22 ARG A 80 11.364 2.051 -53.717 1.00 1.00 H new ATOM 692 N ARG A 81 6.786 0.543 -62.594 1.00 1.00 N ATOM 693 CA ARG A 81 6.781 1.056 -63.959 1.00 1.00 C ATOM 694 C ARG A 81 5.363 1.403 -64.404 1.00 1.00 C ATOM 695 O ARG A 81 5.150 2.366 -65.141 1.00 1.00 O ATOM 696 CB ARG A 81 7.391 0.030 -64.915 1.00 1.00 C ATOM 697 CG ARG A 81 8.906 0.106 -65.004 1.00 1.00 C ATOM 698 CD ARG A 81 9.354 1.219 -65.940 1.00 1.00 C ATOM 699 NE ARG A 81 10.707 0.999 -66.442 1.00 1.00 N ATOM 700 CZ ARG A 81 11.217 1.643 -67.487 1.00 1.00 C ATOM 701 NH1 ARG A 81 10.489 2.542 -68.135 1.00 1.00 N ATOM 702 NH2 ARG A 81 12.457 1.389 -67.884 1.00 1.00 N ATOM 0 H ARG A 81 7.005 -0.450 -62.518 1.00 1.00 H new ATOM 0 HA ARG A 81 7.383 1.965 -63.981 1.00 1.00 H new ATOM 0 HB2 ARG A 81 7.104 -0.971 -64.592 1.00 1.00 H new ATOM 0 HB3 ARG A 81 6.969 0.177 -65.909 1.00 1.00 H new ATOM 0 HG2 ARG A 81 9.322 0.275 -64.011 1.00 1.00 H new ATOM 0 HG3 ARG A 81 9.299 -0.848 -65.356 1.00 1.00 H new ATOM 0 HD2 ARG A 81 8.662 1.287 -66.780 1.00 1.00 H new ATOM 0 HD3 ARG A 81 9.313 2.173 -65.415 1.00 1.00 H new ATOM 0 HE ARG A 81 11.293 0.314 -65.965 1.00 1.00 H new ATOM 0 HH11 ARG A 81 9.536 2.741 -67.832 1.00 1.00 H new ATOM 0 HH12 ARG A 81 10.882 3.035 -68.937 1.00 1.00 H new ATOM 0 HH21 ARG A 81 13.020 0.699 -67.387 1.00 1.00 H new ATOM 0 HH22 ARG A 81 12.847 1.884 -68.686 1.00 1.00 H new ATOM 716 N LEU A 82 4.397 0.610 -63.953 1.00 1.00 N ATOM 717 CA LEU A 82 2.999 0.832 -64.306 1.00 1.00 C ATOM 718 C LEU A 82 2.473 2.114 -63.668 1.00 1.00 C ATOM 719 O LEU A 82 1.970 3.002 -64.358 1.00 1.00 O ATOM 720 CB LEU A 82 2.146 -0.358 -63.863 1.00 1.00 C ATOM 721 CG LEU A 82 2.408 -1.678 -64.589 1.00 1.00 C ATOM 722 CD1 LEU A 82 1.957 -2.855 -63.737 1.00 1.00 C ATOM 723 CD2 LEU A 82 1.704 -1.694 -65.938 1.00 1.00 C ATOM 0 H LEU A 82 4.556 -0.192 -63.343 1.00 1.00 H new ATOM 0 HA LEU A 82 2.935 0.934 -65.389 1.00 1.00 H new ATOM 0 HB2 LEU A 82 2.304 -0.516 -62.796 1.00 1.00 H new ATOM 0 HB3 LEU A 82 1.096 -0.096 -63.995 1.00 1.00 H new ATOM 0 HG LEU A 82 3.481 -1.769 -64.760 1.00 1.00 H new ATOM 0 HD11 LEU A 82 2.151 -3.786 -64.270 1.00 1.00 H new ATOM 0 HD12 LEU A 82 2.506 -2.854 -62.796 1.00 1.00 H new ATOM 0 HD13 LEU A 82 0.890 -2.769 -63.534 1.00 1.00 H new ATOM 0 HD21 LEU A 82 1.902 -2.641 -66.440 1.00 1.00 H new ATOM 0 HD22 LEU A 82 0.630 -1.579 -65.789 1.00 1.00 H new ATOM 0 HD23 LEU A 82 2.075 -0.873 -66.552 1.00 1.00 H new ATOM 735 N LEU A 83 2.594 2.204 -62.348 1.00 1.00 N ATOM 736 CA LEU A 83 2.132 3.379 -61.616 1.00 1.00 C ATOM 737 C LEU A 83 2.742 4.653 -62.191 1.00 1.00 C ATOM 738 O LEU A 83 2.041 5.638 -62.421 1.00 1.00 O ATOM 739 CB LEU A 83 2.487 3.253 -60.134 1.00 1.00 C ATOM 740 CG LEU A 83 1.692 2.217 -59.339 1.00 1.00 C ATOM 741 CD1 LEU A 83 2.169 2.171 -57.895 1.00 1.00 C ATOM 742 CD2 LEU A 83 0.203 2.524 -59.401 1.00 1.00 C ATOM 0 H LEU A 83 3.008 1.478 -61.763 1.00 1.00 H new ATOM 0 HA LEU A 83 1.049 3.439 -61.719 1.00 1.00 H new ATOM 0 HB2 LEU A 83 3.546 3.008 -60.054 1.00 1.00 H new ATOM 0 HB3 LEU A 83 2.349 4.227 -59.664 1.00 1.00 H new ATOM 0 HG LEU A 83 1.859 1.237 -59.787 1.00 1.00 H new ATOM 0 HD11 LEU A 83 1.592 1.428 -57.345 1.00 1.00 H new ATOM 0 HD12 LEU A 83 3.225 1.902 -57.869 1.00 1.00 H new ATOM 0 HD13 LEU A 83 2.033 3.150 -57.435 1.00 1.00 H new ATOM 0 HD21 LEU A 83 -0.347 1.776 -58.830 1.00 1.00 H new ATOM 0 HD22 LEU A 83 0.017 3.512 -58.979 1.00 1.00 H new ATOM 0 HD23 LEU A 83 -0.130 2.504 -60.439 1.00 1.00 H new ATOM 754 N GLN A 84 4.050 4.625 -62.421 1.00 1.00 N ATOM 755 CA GLN A 84 4.754 5.778 -62.970 1.00 1.00 C ATOM 756 C GLN A 84 4.084 6.266 -64.251 1.00 1.00 C ATOM 757 O GLN A 84 3.982 7.468 -64.489 1.00 1.00 O ATOM 758 CB GLN A 84 6.216 5.425 -63.248 1.00 1.00 C ATOM 759 CG GLN A 84 7.114 5.546 -62.027 1.00 1.00 C ATOM 760 CD GLN A 84 8.439 4.831 -62.204 1.00 1.00 C ATOM 761 OE1 GLN A 84 8.857 4.052 -61.346 1.00 1.00 O ATOM 762 NE2 GLN A 84 9.108 5.091 -63.321 1.00 1.00 N ATOM 0 H GLN A 84 4.644 3.817 -62.236 1.00 1.00 H new ATOM 0 HA GLN A 84 4.715 6.580 -62.233 1.00 1.00 H new ATOM 0 HB2 GLN A 84 6.269 4.405 -63.628 1.00 1.00 H new ATOM 0 HB3 GLN A 84 6.596 6.078 -64.034 1.00 1.00 H new ATOM 0 HG2 GLN A 84 7.299 6.600 -61.820 1.00 1.00 H new ATOM 0 HG3 GLN A 84 6.598 5.136 -61.159 1.00 1.00 H new ATOM 0 HE21 GLN A 84 8.725 5.743 -64.005 1.00 1.00 H new ATOM 0 HE22 GLN A 84 10.005 4.638 -63.495 1.00 1.00 H new ATOM 771 N GLU A 85 3.630 5.323 -65.071 1.00 1.00 N ATOM 772 CA GLU A 85 2.971 5.658 -66.328 1.00 1.00 C ATOM 773 C GLU A 85 1.523 6.076 -66.089 1.00 1.00 C ATOM 774 O GLU A 85 0.956 6.856 -66.855 1.00 1.00 O ATOM 775 CB GLU A 85 3.018 4.467 -67.287 1.00 1.00 C ATOM 776 CG GLU A 85 4.238 4.463 -68.193 1.00 1.00 C ATOM 777 CD GLU A 85 4.040 5.299 -69.442 1.00 1.00 C ATOM 778 OE1 GLU A 85 3.024 6.021 -69.519 1.00 1.00 O ATOM 779 OE2 GLU A 85 4.902 5.231 -70.343 1.00 1.00 O ATOM 0 H GLU A 85 3.706 4.323 -64.888 1.00 1.00 H new ATOM 0 HA GLU A 85 3.504 6.497 -66.776 1.00 1.00 H new ATOM 0 HB2 GLU A 85 3.003 3.544 -66.708 1.00 1.00 H new ATOM 0 HB3 GLU A 85 2.119 4.471 -67.903 1.00 1.00 H new ATOM 0 HG2 GLU A 85 5.098 4.841 -67.640 1.00 1.00 H new ATOM 0 HG3 GLU A 85 4.469 3.437 -68.480 1.00 1.00 H new ATOM 786 N ARG A 86 0.930 5.551 -65.021 1.00 1.00 N ATOM 787 CA ARG A 86 -0.452 5.868 -64.682 1.00 1.00 C ATOM 788 C ARG A 86 -0.578 7.313 -64.208 1.00 1.00 C ATOM 789 O ARG A 86 -1.609 7.953 -64.407 1.00 1.00 O ATOM 790 CB ARG A 86 -0.963 4.918 -63.597 1.00 1.00 C ATOM 791 CG ARG A 86 -1.214 3.504 -64.096 1.00 1.00 C ATOM 792 CD ARG A 86 -2.612 3.358 -64.678 1.00 1.00 C ATOM 793 NE ARG A 86 -2.866 2.002 -65.156 1.00 1.00 N ATOM 794 CZ ARG A 86 -4.071 1.556 -65.494 1.00 1.00 C ATOM 795 NH1 ARG A 86 -5.126 2.355 -65.406 1.00 1.00 N ATOM 796 NH2 ARG A 86 -4.223 0.309 -65.921 1.00 1.00 N ATOM 0 H ARG A 86 1.385 4.905 -64.376 1.00 1.00 H new ATOM 0 HA ARG A 86 -1.058 5.744 -65.580 1.00 1.00 H new ATOM 0 HB2 ARG A 86 -0.238 4.884 -62.784 1.00 1.00 H new ATOM 0 HB3 ARG A 86 -1.888 5.318 -63.182 1.00 1.00 H new ATOM 0 HG2 ARG A 86 -0.474 3.248 -64.855 1.00 1.00 H new ATOM 0 HG3 ARG A 86 -1.085 2.799 -63.275 1.00 1.00 H new ATOM 0 HD2 ARG A 86 -3.350 3.619 -63.919 1.00 1.00 H new ATOM 0 HD3 ARG A 86 -2.738 4.062 -65.501 1.00 1.00 H new ATOM 0 HE ARG A 86 -2.075 1.362 -65.235 1.00 1.00 H new ATOM 0 HH11 ARG A 86 -5.013 3.314 -65.078 1.00 1.00 H new ATOM 0 HH12 ARG A 86 -6.050 2.010 -65.666 1.00 1.00 H new ATOM 0 HH21 ARG A 86 -3.414 -0.309 -65.990 1.00 1.00 H new ATOM 0 HH22 ARG A 86 -5.149 -0.032 -66.180 1.00 1.00 H new ATOM 810 N GLU A 87 0.479 7.818 -63.579 1.00 1.00 N ATOM 811 CA GLU A 87 0.485 9.186 -63.074 1.00 1.00 C ATOM 812 C GLU A 87 -0.774 9.471 -62.260 1.00 1.00 C ATOM 813 O GLU A 87 -1.506 10.422 -62.539 1.00 1.00 O ATOM 814 CB GLU A 87 0.592 10.180 -64.233 1.00 1.00 C ATOM 815 CG GLU A 87 1.344 9.635 -65.435 1.00 1.00 C ATOM 816 CD GLU A 87 1.979 10.729 -66.272 1.00 1.00 C ATOM 817 OE1 GLU A 87 1.246 11.642 -66.708 1.00 1.00 O ATOM 818 OE2 GLU A 87 3.207 10.672 -66.490 1.00 1.00 O ATOM 0 H GLU A 87 1.341 7.301 -63.407 1.00 1.00 H new ATOM 0 HA GLU A 87 1.352 9.302 -62.423 1.00 1.00 H new ATOM 0 HB2 GLU A 87 -0.411 10.471 -64.544 1.00 1.00 H new ATOM 0 HB3 GLU A 87 1.092 11.083 -63.881 1.00 1.00 H new ATOM 0 HG2 GLU A 87 2.119 8.948 -65.093 1.00 1.00 H new ATOM 0 HG3 GLU A 87 0.659 9.059 -66.057 1.00 1.00 H new ATOM 825 N LEU A 88 -1.021 8.640 -61.253 1.00 1.00 N ATOM 826 CA LEU A 88 -2.192 8.801 -60.399 1.00 1.00 C ATOM 827 C LEU A 88 -1.784 9.202 -58.985 1.00 1.00 C ATOM 828 O LEU A 88 -2.532 9.880 -58.280 1.00 1.00 O ATOM 829 CB LEU A 88 -3.001 7.503 -60.359 1.00 1.00 C ATOM 830 CG LEU A 88 -3.955 7.270 -61.532 1.00 1.00 C ATOM 831 CD1 LEU A 88 -4.300 5.794 -61.655 1.00 1.00 C ATOM 832 CD2 LEU A 88 -5.218 8.103 -61.365 1.00 1.00 C ATOM 0 H LEU A 88 -0.426 7.848 -61.008 1.00 1.00 H new ATOM 0 HA LEU A 88 -2.810 9.595 -60.818 1.00 1.00 H new ATOM 0 HB2 LEU A 88 -2.305 6.666 -60.311 1.00 1.00 H new ATOM 0 HB3 LEU A 88 -3.581 7.488 -59.436 1.00 1.00 H new ATOM 0 HG LEU A 88 -3.456 7.582 -62.449 1.00 1.00 H new ATOM 0 HD11 LEU A 88 -4.979 5.648 -62.495 1.00 1.00 H new ATOM 0 HD12 LEU A 88 -3.389 5.220 -61.822 1.00 1.00 H new ATOM 0 HD13 LEU A 88 -4.780 5.455 -60.737 1.00 1.00 H new ATOM 0 HD21 LEU A 88 -5.885 7.925 -62.208 1.00 1.00 H new ATOM 0 HD22 LEU A 88 -5.720 7.821 -60.439 1.00 1.00 H new ATOM 0 HD23 LEU A 88 -4.954 9.160 -61.328 1.00 1.00 H new ATOM 844 N VAL A 89 -0.591 8.780 -58.577 1.00 1.00 N ATOM 845 CA VAL A 89 -0.081 9.098 -57.248 1.00 1.00 C ATOM 846 C VAL A 89 1.333 9.661 -57.323 1.00 1.00 C ATOM 847 O VAL A 89 2.299 8.919 -57.501 1.00 1.00 O ATOM 848 CB VAL A 89 -0.080 7.857 -56.336 1.00 1.00 C ATOM 849 CG1 VAL A 89 0.461 8.207 -54.958 1.00 1.00 C ATOM 850 CG2 VAL A 89 -1.480 7.269 -56.234 1.00 1.00 C ATOM 0 H VAL A 89 0.040 8.217 -59.147 1.00 1.00 H new ATOM 0 HA VAL A 89 -0.747 9.850 -56.825 1.00 1.00 H new ATOM 0 HB VAL A 89 0.574 7.105 -56.777 1.00 1.00 H new ATOM 0 HG11 VAL A 89 0.454 7.318 -54.328 1.00 1.00 H new ATOM 0 HG12 VAL A 89 1.482 8.578 -55.051 1.00 1.00 H new ATOM 0 HG13 VAL A 89 -0.165 8.977 -54.506 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -1.460 6.393 -55.586 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -2.158 8.014 -55.817 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -1.826 6.979 -57.226 1.00 1.00 H new ATOM 860 N GLU A 90 1.447 10.979 -57.185 1.00 1.00 N ATOM 861 CA GLU A 90 2.745 11.642 -57.237 1.00 1.00 C ATOM 862 C GLU A 90 3.404 11.443 -58.599 1.00 1.00 C ATOM 863 O GLU A 90 4.547 10.996 -58.688 1.00 1.00 O ATOM 864 CB GLU A 90 3.660 11.108 -56.133 1.00 1.00 C ATOM 865 CG GLU A 90 4.681 12.122 -55.645 1.00 1.00 C ATOM 866 CD GLU A 90 4.042 13.285 -54.910 1.00 1.00 C ATOM 867 OE1 GLU A 90 3.118 13.043 -54.106 1.00 1.00 O ATOM 868 OE2 GLU A 90 4.466 14.437 -55.140 1.00 1.00 O ATOM 0 H GLU A 90 0.657 11.607 -57.037 1.00 1.00 H new ATOM 0 HA GLU A 90 2.585 12.709 -57.082 1.00 1.00 H new ATOM 0 HB2 GLU A 90 3.049 10.786 -55.290 1.00 1.00 H new ATOM 0 HB3 GLU A 90 4.184 10.226 -56.502 1.00 1.00 H new ATOM 0 HG2 GLU A 90 5.393 11.627 -54.985 1.00 1.00 H new ATOM 0 HG3 GLU A 90 5.246 12.501 -56.496 1.00 1.00 H new ATOM 875 N GLY A 91 2.673 11.777 -59.658 1.00 1.00 N ATOM 876 CA GLY A 91 3.202 11.627 -61.001 1.00 1.00 C ATOM 877 C GLY A 91 2.571 12.594 -61.984 1.00 1.00 C ATOM 878 O GLY A 91 1.347 12.697 -62.065 1.00 1.00 O ATOM 0 H GLY A 91 1.724 12.149 -59.610 1.00 1.00 H new ATOM 0 HA2 GLY A 91 4.280 11.784 -60.983 1.00 1.00 H new ATOM 0 HA3 GLY A 91 3.034 10.606 -61.342 1.00 1.00 H new ATOM 882 N GLY A 92 3.408 13.306 -62.732 1.00 1.00 N ATOM 883 CA GLY A 92 2.906 14.261 -63.703 1.00 1.00 C ATOM 884 C GLY A 92 3.647 15.582 -63.654 1.00 1.00 C ATOM 885 O GLY A 92 4.627 15.779 -64.372 1.00 1.00 O ATOM 0 H GLY A 92 4.425 13.239 -62.683 1.00 1.00 H new ATOM 0 HA2 GLY A 92 2.992 13.837 -64.703 1.00 1.00 H new ATOM 0 HA3 GLY A 92 1.846 14.436 -63.521 1.00 1.00 H new TER 889 GLY A 92