USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 379 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 72 SER OG : rot 180:sc= 0.076 USER MOD Single : A 75 THR OG1 : rot 130:sc= -0.517 USER MOD Single : A 78 ASN : amide:sc= -1.36 K(o=-1.4,f=-5.3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0317) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0561 USER MOD Single : A 106 THR OG1 : rot 73:sc= 0.642 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 171:sc=-2.04e-05 (180deg=-0.0721) USER MOD Single : A 110 ASN : amide:sc= -0.204 K(o=-0.2,f=-2.3!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -0.197 K(o=-0.2,f=-2.6!) USER MOD Single : A 120 SER OG : rot -6:sc= 0.946 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 71 16.580 -10.676 1.034 1.00 0.00 N ATOM 2 CA LEU A 71 17.366 -11.115 -0.115 1.00 0.00 C ATOM 3 C LEU A 71 17.766 -9.928 -0.984 1.00 0.00 C ATOM 4 O LEU A 71 17.069 -8.914 -1.027 1.00 0.00 O ATOM 5 CB LEU A 71 16.574 -12.125 -0.945 1.00 0.00 C ATOM 6 CG LEU A 71 17.410 -12.960 -1.920 1.00 0.00 C ATOM 7 CD1 LEU A 71 17.441 -14.418 -1.490 1.00 0.00 C ATOM 8 CD2 LEU A 71 16.864 -12.834 -3.336 1.00 0.00 C ATOM 0 HA LEU A 71 18.272 -11.593 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 71 16.052 -12.800 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 71 15.811 -11.589 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 71 18.431 -12.578 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 71 18.040 -14.993 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 71 17.880 -14.495 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 71 16.425 -14.813 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 71 17.471 -13.434 -4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.833 -13.188 -3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.897 -11.790 -3.647 1.00 0.00 H new ATOM 20 N SER A 72 18.894 -10.059 -1.676 1.00 0.00 N ATOM 21 CA SER A 72 19.385 -8.999 -2.546 1.00 0.00 C ATOM 22 C SER A 72 18.669 -9.022 -3.891 1.00 0.00 C ATOM 23 O SER A 72 18.592 -10.061 -4.546 1.00 0.00 O ATOM 24 CB SER A 72 20.894 -9.141 -2.755 1.00 0.00 C ATOM 25 OG SER A 72 21.293 -10.500 -2.683 1.00 0.00 O ATOM 0 H SER A 72 19.485 -10.890 -1.650 1.00 0.00 H new ATOM 0 HA SER A 72 19.180 -8.043 -2.063 1.00 0.00 H new ATOM 0 HB2 SER A 72 21.170 -8.728 -3.725 1.00 0.00 H new ATOM 0 HB3 SER A 72 21.425 -8.562 -1.999 1.00 0.00 H new ATOM 0 HG SER A 72 22.261 -10.564 -2.821 1.00 0.00 H new ATOM 31 N CYS A 73 18.144 -7.871 -4.297 1.00 0.00 N ATOM 32 CA CYS A 73 17.432 -7.761 -5.565 1.00 0.00 C ATOM 33 C CYS A 73 18.033 -6.663 -6.437 1.00 0.00 C ATOM 34 O CYS A 73 18.715 -5.766 -5.943 1.00 0.00 O ATOM 35 CB CYS A 73 15.946 -7.483 -5.318 1.00 0.00 C ATOM 36 SG CYS A 73 15.588 -5.816 -4.669 1.00 0.00 S ATOM 0 H CYS A 73 18.198 -7.001 -3.767 1.00 0.00 H new ATOM 0 HA CYS A 73 17.533 -8.710 -6.092 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.403 -7.620 -6.253 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.562 -8.223 -4.616 1.00 0.00 H new ATOM 41 N LEU A 74 17.773 -6.741 -7.740 1.00 0.00 N ATOM 42 CA LEU A 74 18.285 -5.754 -8.683 1.00 0.00 C ATOM 43 C LEU A 74 17.197 -4.757 -9.071 1.00 0.00 C ATOM 44 O LEU A 74 16.140 -5.140 -9.569 1.00 0.00 O ATOM 45 CB LEU A 74 18.826 -6.447 -9.935 1.00 0.00 C ATOM 46 CG LEU A 74 20.218 -7.068 -9.782 1.00 0.00 C ATOM 47 CD1 LEU A 74 20.136 -8.586 -9.808 1.00 0.00 C ATOM 48 CD2 LEU A 74 21.150 -6.566 -10.877 1.00 0.00 C ATOM 0 H LEU A 74 17.211 -7.478 -8.165 1.00 0.00 H new ATOM 0 HA LEU A 74 19.095 -5.210 -8.197 1.00 0.00 H new ATOM 0 HB2 LEU A 74 18.126 -7.229 -10.230 1.00 0.00 H new ATOM 0 HB3 LEU A 74 18.856 -5.722 -10.749 1.00 0.00 H new ATOM 0 HG LEU A 74 20.623 -6.764 -8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 74 21.136 -9.006 -9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 74 19.505 -8.930 -8.988 1.00 0.00 H new ATOM 0 HD13 LEU A 74 19.708 -8.911 -10.756 1.00 0.00 H new ATOM 0 HD21 LEU A 74 22.134 -7.018 -10.752 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.746 -6.839 -11.852 1.00 0.00 H new ATOM 0 HD23 LEU A 74 21.238 -5.482 -10.811 1.00 0.00 H new ATOM 60 N THR A 75 17.469 -3.477 -8.842 1.00 0.00 N ATOM 61 CA THR A 75 16.518 -2.421 -9.169 1.00 0.00 C ATOM 62 C THR A 75 16.311 -2.337 -10.681 1.00 0.00 C ATOM 63 O THR A 75 17.060 -2.941 -11.447 1.00 0.00 O ATOM 64 CB THR A 75 17.017 -1.081 -8.627 1.00 0.00 C ATOM 65 OG1 THR A 75 18.231 -0.707 -9.253 1.00 0.00 O ATOM 66 CG2 THR A 75 17.260 -1.095 -7.132 1.00 0.00 C ATOM 0 H THR A 75 18.341 -3.145 -8.431 1.00 0.00 H new ATOM 0 HA THR A 75 15.561 -2.656 -8.703 1.00 0.00 H new ATOM 0 HB THR A 75 16.223 -0.367 -8.846 1.00 0.00 H new ATOM 0 HG1 THR A 75 18.161 0.215 -9.578 1.00 0.00 H new ATOM 0 HG21 THR A 75 17.613 -0.115 -6.811 1.00 0.00 H new ATOM 0 HG22 THR A 75 16.331 -1.333 -6.615 1.00 0.00 H new ATOM 0 HG23 THR A 75 18.012 -1.847 -6.893 1.00 0.00 H new ATOM 74 N PRO A 76 15.291 -1.586 -11.136 1.00 0.00 N ATOM 75 CA PRO A 76 15.006 -1.439 -12.568 1.00 0.00 C ATOM 76 C PRO A 76 16.242 -1.024 -13.359 1.00 0.00 C ATOM 77 O PRO A 76 16.366 -1.332 -14.545 1.00 0.00 O ATOM 78 CB PRO A 76 13.945 -0.338 -12.607 1.00 0.00 C ATOM 79 CG PRO A 76 13.269 -0.423 -11.283 1.00 0.00 C ATOM 80 CD PRO A 76 14.336 -0.829 -10.303 1.00 0.00 C ATOM 0 HA PRO A 76 14.680 -2.375 -13.021 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.396 0.642 -12.760 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.240 -0.495 -13.423 1.00 0.00 H new ATOM 0 HG2 PRO A 76 12.828 0.535 -11.007 1.00 0.00 H new ATOM 0 HG3 PRO A 76 12.459 -1.152 -11.304 1.00 0.00 H new ATOM 0 HD2 PRO A 76 14.806 0.038 -9.838 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.931 -1.442 -9.498 1.00 0.00 H new ATOM 88 N ASP A 77 17.157 -0.330 -12.691 1.00 0.00 N ATOM 89 CA ASP A 77 18.390 0.122 -13.327 1.00 0.00 C ATOM 90 C ASP A 77 19.515 -0.896 -13.133 1.00 0.00 C ATOM 91 O ASP A 77 20.666 -0.636 -13.488 1.00 0.00 O ATOM 92 CB ASP A 77 18.811 1.480 -12.760 1.00 0.00 C ATOM 93 CG ASP A 77 18.584 2.611 -13.742 1.00 0.00 C ATOM 94 OD1 ASP A 77 17.410 2.973 -13.970 1.00 0.00 O ATOM 95 OD2 ASP A 77 19.580 3.137 -14.285 1.00 0.00 O ATOM 0 H ASP A 77 17.069 -0.068 -11.709 1.00 0.00 H new ATOM 0 HA ASP A 77 18.200 0.223 -14.396 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.251 1.678 -11.846 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.866 1.446 -12.487 1.00 0.00 H new ATOM 100 N ASN A 78 19.177 -2.057 -12.573 1.00 0.00 N ATOM 101 CA ASN A 78 20.156 -3.114 -12.335 1.00 0.00 C ATOM 102 C ASN A 78 21.157 -2.704 -11.259 1.00 0.00 C ATOM 103 O ASN A 78 22.345 -3.010 -11.353 1.00 0.00 O ATOM 104 CB ASN A 78 20.887 -3.469 -13.634 1.00 0.00 C ATOM 105 CG ASN A 78 20.421 -4.789 -14.214 1.00 0.00 C ATOM 106 OD1 ASN A 78 19.881 -5.638 -13.504 1.00 0.00 O ATOM 107 ND2 ASN A 78 20.628 -4.972 -15.514 1.00 0.00 N ATOM 0 H ASN A 78 18.229 -2.289 -12.275 1.00 0.00 H new ATOM 0 HA ASN A 78 19.620 -3.995 -11.981 1.00 0.00 H new ATOM 0 HB2 ASN A 78 20.728 -2.677 -14.366 1.00 0.00 H new ATOM 0 HB3 ASN A 78 21.959 -3.517 -13.444 1.00 0.00 H new ATOM 0 HD21 ASN A 78 20.336 -5.842 -15.959 1.00 0.00 H new ATOM 0 HD22 ASN A 78 21.079 -4.243 -16.066 1.00 0.00 H new ATOM 114 N LYS A 79 20.667 -2.021 -10.231 1.00 0.00 N ATOM 115 CA LYS A 79 21.517 -1.582 -9.133 1.00 0.00 C ATOM 116 C LYS A 79 21.405 -2.547 -7.954 1.00 0.00 C ATOM 117 O LYS A 79 20.302 -2.865 -7.510 1.00 0.00 O ATOM 118 CB LYS A 79 21.132 -0.168 -8.690 1.00 0.00 C ATOM 119 CG LYS A 79 21.114 0.841 -9.828 1.00 0.00 C ATOM 120 CD LYS A 79 21.780 2.148 -9.426 1.00 0.00 C ATOM 121 CE LYS A 79 23.231 2.198 -9.880 1.00 0.00 C ATOM 122 NZ LYS A 79 23.442 3.211 -10.950 1.00 0.00 N ATOM 0 H LYS A 79 19.686 -1.760 -10.136 1.00 0.00 H new ATOM 0 HA LYS A 79 22.550 -1.571 -9.482 1.00 0.00 H new ATOM 0 HB2 LYS A 79 20.146 -0.197 -8.225 1.00 0.00 H new ATOM 0 HB3 LYS A 79 21.834 0.169 -7.927 1.00 0.00 H new ATOM 0 HG2 LYS A 79 21.626 0.422 -10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 79 20.084 1.034 -10.128 1.00 0.00 H new ATOM 0 HD2 LYS A 79 21.233 2.985 -9.860 1.00 0.00 H new ATOM 0 HD3 LYS A 79 21.732 2.264 -8.343 1.00 0.00 H new ATOM 0 HE2 LYS A 79 23.870 2.431 -9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 79 23.531 1.216 -10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 24.443 3.214 -11.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 22.851 2.975 -11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 23.180 4.152 -10.594 1.00 0.00 H new ATOM 136 N PRO A 80 22.545 -3.032 -7.430 1.00 0.00 N ATOM 137 CA PRO A 80 22.553 -3.969 -6.302 1.00 0.00 C ATOM 138 C PRO A 80 21.876 -3.394 -5.065 1.00 0.00 C ATOM 139 O PRO A 80 22.274 -2.347 -4.555 1.00 0.00 O ATOM 140 CB PRO A 80 24.044 -4.212 -6.035 1.00 0.00 C ATOM 141 CG PRO A 80 24.755 -3.091 -6.712 1.00 0.00 C ATOM 142 CD PRO A 80 23.905 -2.715 -7.892 1.00 0.00 C ATOM 0 HA PRO A 80 21.999 -4.879 -6.532 1.00 0.00 H new ATOM 0 HB2 PRO A 80 24.255 -4.222 -4.966 1.00 0.00 H new ATOM 0 HB3 PRO A 80 24.362 -5.176 -6.432 1.00 0.00 H new ATOM 0 HG2 PRO A 80 24.882 -2.245 -6.037 1.00 0.00 H new ATOM 0 HG3 PRO A 80 25.752 -3.397 -7.030 1.00 0.00 H new ATOM 0 HD2 PRO A 80 24.010 -1.660 -8.146 1.00 0.00 H new ATOM 0 HD3 PRO A 80 24.173 -3.285 -8.781 1.00 0.00 H new ATOM 150 N GLY A 81 20.851 -4.089 -4.587 1.00 0.00 N ATOM 151 CA GLY A 81 20.130 -3.639 -3.410 1.00 0.00 C ATOM 152 C GLY A 81 19.586 -4.791 -2.589 1.00 0.00 C ATOM 153 O GLY A 81 20.077 -5.916 -2.683 1.00 0.00 O ATOM 0 H GLY A 81 20.505 -4.958 -4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 81 20.793 -3.036 -2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.306 -2.994 -3.716 1.00 0.00 H new ATOM 157 N LYS A 82 18.571 -4.510 -1.780 1.00 0.00 N ATOM 158 CA LYS A 82 17.959 -5.531 -0.938 1.00 0.00 C ATOM 159 C LYS A 82 16.439 -5.473 -1.030 1.00 0.00 C ATOM 160 O LYS A 82 15.859 -4.397 -1.179 1.00 0.00 O ATOM 161 CB LYS A 82 18.400 -5.354 0.517 1.00 0.00 C ATOM 162 CG LYS A 82 19.731 -6.016 0.835 1.00 0.00 C ATOM 163 CD LYS A 82 20.644 -5.087 1.618 1.00 0.00 C ATOM 164 CE LYS A 82 20.491 -5.287 3.117 1.00 0.00 C ATOM 165 NZ LYS A 82 19.224 -4.696 3.629 1.00 0.00 N ATOM 0 H LYS A 82 18.154 -3.583 -1.689 1.00 0.00 H new ATOM 0 HA LYS A 82 18.290 -6.506 -1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 82 18.471 -4.289 0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.633 -5.766 1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.558 -6.926 1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.221 -6.313 -0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 82 21.680 -5.266 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 82 20.416 -4.052 1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.513 -6.353 3.345 1.00 0.00 H new ATOM 0 HE3 LYS A 82 21.338 -4.833 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.189 -4.793 4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.183 -3.688 3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.414 -5.193 3.207 1.00 0.00 H new ATOM 179 N CYS A 83 15.797 -6.633 -0.940 1.00 0.00 N ATOM 180 CA CYS A 83 14.343 -6.709 -1.015 1.00 0.00 C ATOM 181 C CYS A 83 13.745 -7.074 0.340 1.00 0.00 C ATOM 182 O CYS A 83 14.120 -8.080 0.944 1.00 0.00 O ATOM 183 CB CYS A 83 13.916 -7.738 -2.063 1.00 0.00 C ATOM 184 SG CYS A 83 12.121 -7.780 -2.377 1.00 0.00 S ATOM 0 H CYS A 83 16.261 -7.533 -0.815 1.00 0.00 H new ATOM 0 HA CYS A 83 13.970 -5.727 -1.306 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.433 -7.524 -2.999 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.240 -8.727 -1.739 1.00 0.00 H new ATOM 189 N VAL A 84 12.813 -6.253 0.810 1.00 0.00 N ATOM 190 CA VAL A 84 12.160 -6.491 2.091 1.00 0.00 C ATOM 191 C VAL A 84 10.643 -6.471 1.945 1.00 0.00 C ATOM 192 O VAL A 84 10.109 -5.867 1.015 1.00 0.00 O ATOM 193 CB VAL A 84 12.577 -5.442 3.140 1.00 0.00 C ATOM 194 CG1 VAL A 84 14.027 -5.644 3.552 1.00 0.00 C ATOM 195 CG2 VAL A 84 12.359 -4.035 2.604 1.00 0.00 C ATOM 0 H VAL A 84 12.493 -5.416 0.323 1.00 0.00 H new ATOM 0 HA VAL A 84 12.478 -7.477 2.429 1.00 0.00 H new ATOM 0 HB VAL A 84 11.952 -5.571 4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.303 -4.894 4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.148 -6.639 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.671 -5.544 2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 84 12.659 -3.308 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 84 12.957 -3.892 1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 84 11.305 -3.896 2.365 1.00 0.00 H new ATOM 205 N ASN A 85 9.954 -7.135 2.868 1.00 0.00 N ATOM 206 CA ASN A 85 8.496 -7.191 2.838 1.00 0.00 C ATOM 207 C ASN A 85 7.898 -5.789 2.843 1.00 0.00 C ATOM 208 O ASN A 85 8.622 -4.794 2.786 1.00 0.00 O ATOM 209 CB ASN A 85 7.970 -7.988 4.033 1.00 0.00 C ATOM 210 CG ASN A 85 7.749 -9.451 3.700 1.00 0.00 C ATOM 211 OD1 ASN A 85 8.484 -10.037 2.905 1.00 0.00 O ATOM 212 ND2 ASN A 85 6.730 -10.049 4.307 1.00 0.00 N ATOM 0 H ASN A 85 10.380 -7.641 3.644 1.00 0.00 H new ATOM 0 HA ASN A 85 8.195 -7.691 1.917 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.677 -7.909 4.859 1.00 0.00 H new ATOM 0 HB3 ASN A 85 7.032 -7.550 4.374 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.531 -11.032 4.121 1.00 0.00 H new ATOM 0 HD22 ASN A 85 6.146 -9.525 4.959 1.00 0.00 H new ATOM 219 N ILE A 86 6.573 -5.715 2.909 1.00 0.00 N ATOM 220 CA ILE A 86 5.881 -4.432 2.920 1.00 0.00 C ATOM 221 C ILE A 86 5.740 -3.895 4.341 1.00 0.00 C ATOM 222 O ILE A 86 4.644 -3.539 4.778 1.00 0.00 O ATOM 223 CB ILE A 86 4.482 -4.542 2.280 1.00 0.00 C ATOM 224 CG1 ILE A 86 4.551 -5.339 0.975 1.00 0.00 C ATOM 225 CG2 ILE A 86 3.907 -3.154 2.030 1.00 0.00 C ATOM 226 CD1 ILE A 86 5.371 -4.664 -0.103 1.00 0.00 C ATOM 0 H ILE A 86 5.958 -6.527 2.956 1.00 0.00 H new ATOM 0 HA ILE A 86 6.486 -3.741 2.333 1.00 0.00 H new ATOM 0 HB ILE A 86 3.824 -5.071 2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.975 -6.322 1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.539 -5.500 0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.919 -3.245 1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.825 -2.618 2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.564 -2.604 1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.376 -5.285 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.935 -3.693 -0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.393 -4.527 0.249 1.00 0.00 H new ATOM 238 N LYS A 87 6.855 -3.840 5.059 1.00 0.00 N ATOM 239 CA LYS A 87 6.860 -3.348 6.432 1.00 0.00 C ATOM 240 C LYS A 87 8.286 -3.193 6.948 1.00 0.00 C ATOM 241 O LYS A 87 8.563 -3.432 8.123 1.00 0.00 O ATOM 242 CB LYS A 87 6.076 -4.298 7.341 1.00 0.00 C ATOM 243 CG LYS A 87 6.475 -5.756 7.183 1.00 0.00 C ATOM 244 CD LYS A 87 5.429 -6.686 7.777 1.00 0.00 C ATOM 245 CE LYS A 87 5.510 -6.720 9.295 1.00 0.00 C ATOM 246 NZ LYS A 87 5.309 -8.095 9.831 1.00 0.00 N ATOM 0 H LYS A 87 7.769 -4.131 4.713 1.00 0.00 H new ATOM 0 HA LYS A 87 6.380 -2.369 6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.224 -4.000 8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.012 -4.196 7.128 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.609 -5.985 6.126 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.435 -5.927 7.671 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.435 -6.359 7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.569 -7.692 7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.482 -6.344 9.615 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.756 -6.053 9.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.372 -8.076 10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.372 -8.445 9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.043 -8.726 9.452 1.00 0.00 H new ATOM 260 N LYS A 88 9.190 -2.792 6.060 1.00 0.00 N ATOM 261 CA LYS A 88 10.590 -2.605 6.420 1.00 0.00 C ATOM 262 C LYS A 88 11.244 -1.541 5.545 1.00 0.00 C ATOM 263 O LYS A 88 11.973 -0.680 6.037 1.00 0.00 O ATOM 264 CB LYS A 88 11.351 -3.926 6.291 1.00 0.00 C ATOM 265 CG LYS A 88 12.572 -4.013 7.191 1.00 0.00 C ATOM 266 CD LYS A 88 13.100 -5.437 7.275 1.00 0.00 C ATOM 267 CE LYS A 88 14.601 -5.461 7.523 1.00 0.00 C ATOM 268 NZ LYS A 88 15.035 -6.725 8.178 1.00 0.00 N ATOM 0 H LYS A 88 8.977 -2.590 5.083 1.00 0.00 H new ATOM 0 HA LYS A 88 10.629 -2.268 7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.676 -4.749 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 88 11.663 -4.056 5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.354 -3.355 6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.316 -3.659 8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.589 -5.969 8.077 1.00 0.00 H new ATOM 0 HD3 LYS A 88 12.875 -5.965 6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.127 -5.344 6.576 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.879 -4.613 8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.064 -6.702 8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.552 -6.825 9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.793 -7.532 7.569 1.00 0.00 H new ATOM 282 N CYS A 89 10.978 -1.606 4.244 1.00 0.00 N ATOM 283 CA CYS A 89 11.538 -0.649 3.295 1.00 0.00 C ATOM 284 C CYS A 89 11.313 0.787 3.762 1.00 0.00 C ATOM 285 O CYS A 89 10.234 1.132 4.246 1.00 0.00 O ATOM 286 CB CYS A 89 10.916 -0.851 1.910 1.00 0.00 C ATOM 287 SG CYS A 89 12.069 -1.523 0.670 1.00 0.00 S ATOM 0 H CYS A 89 10.377 -2.313 3.822 1.00 0.00 H new ATOM 0 HA CYS A 89 12.612 -0.824 3.236 1.00 0.00 H new ATOM 0 HB2 CYS A 89 10.064 -1.524 2.001 1.00 0.00 H new ATOM 0 HB3 CYS A 89 10.531 0.104 1.553 1.00 0.00 H new ATOM 292 N THR A 90 12.338 1.620 3.612 1.00 0.00 N ATOM 293 CA THR A 90 12.252 3.019 4.017 1.00 0.00 C ATOM 294 C THR A 90 11.117 3.727 3.285 1.00 0.00 C ATOM 295 O THR A 90 10.517 4.666 3.810 1.00 0.00 O ATOM 296 CB THR A 90 13.577 3.733 3.739 1.00 0.00 C ATOM 297 OG1 THR A 90 14.673 2.893 4.052 1.00 0.00 O ATOM 298 CG2 THR A 90 13.741 5.015 4.525 1.00 0.00 C ATOM 0 H THR A 90 13.237 1.351 3.213 1.00 0.00 H new ATOM 0 HA THR A 90 12.047 3.051 5.087 1.00 0.00 H new ATOM 0 HB THR A 90 13.558 3.977 2.677 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.511 3.366 3.866 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.701 5.471 4.282 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.936 5.704 4.269 1.00 0.00 H new ATOM 0 HG23 THR A 90 13.704 4.795 5.592 1.00 0.00 H new ATOM 306 N HIS A 91 10.829 3.272 2.071 1.00 0.00 N ATOM 307 CA HIS A 91 9.765 3.861 1.265 1.00 0.00 C ATOM 308 C HIS A 91 8.417 3.736 1.965 1.00 0.00 C ATOM 309 O HIS A 91 7.547 4.596 1.816 1.00 0.00 O ATOM 310 CB HIS A 91 9.704 3.187 -0.108 1.00 0.00 C ATOM 311 CG HIS A 91 10.577 3.841 -1.134 1.00 0.00 C ATOM 312 ND1 HIS A 91 10.089 4.361 -2.315 1.00 0.00 N ATOM 313 CD2 HIS A 91 11.913 4.061 -1.153 1.00 0.00 C ATOM 314 CE1 HIS A 91 11.087 4.870 -3.015 1.00 0.00 C ATOM 315 NE2 HIS A 91 12.204 4.701 -2.332 1.00 0.00 N ATOM 0 H HIS A 91 11.317 2.497 1.623 1.00 0.00 H new ATOM 0 HA HIS A 91 9.988 4.920 1.134 1.00 0.00 H new ATOM 0 HB2 HIS A 91 9.998 2.143 -0.005 1.00 0.00 H new ATOM 0 HB3 HIS A 91 8.673 3.194 -0.462 1.00 0.00 H new ATOM 0 HD2 HIS A 91 12.619 3.784 -0.384 1.00 0.00 H new ATOM 0 HE1 HIS A 91 11.003 5.344 -3.982 1.00 0.00 H new ATOM 0 HE2 HIS A 91 13.133 4.998 -2.632 1.00 0.00 H new ATOM 324 N LEU A 92 8.244 2.661 2.728 1.00 0.00 N ATOM 325 CA LEU A 92 6.997 2.430 3.447 1.00 0.00 C ATOM 326 C LEU A 92 6.783 3.492 4.519 1.00 0.00 C ATOM 327 O LEU A 92 5.684 4.025 4.671 1.00 0.00 O ATOM 328 CB LEU A 92 7.001 1.037 4.082 1.00 0.00 C ATOM 329 CG LEU A 92 6.345 -0.061 3.243 1.00 0.00 C ATOM 330 CD1 LEU A 92 4.844 0.162 3.152 1.00 0.00 C ATOM 331 CD2 LEU A 92 6.964 -0.107 1.852 1.00 0.00 C ATOM 0 H LEU A 92 8.950 1.938 2.864 1.00 0.00 H new ATOM 0 HA LEU A 92 6.176 2.492 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.033 0.750 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.491 1.092 5.044 1.00 0.00 H new ATOM 0 HG LEU A 92 6.520 -1.020 3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.394 -0.629 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.413 0.147 4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.647 1.128 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.487 -0.893 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.818 0.853 1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.031 -0.314 1.935 1.00 0.00 H new ATOM 343 N ALA A 93 7.842 3.797 5.256 1.00 0.00 N ATOM 344 CA ALA A 93 7.774 4.800 6.310 1.00 0.00 C ATOM 345 C ALA A 93 7.508 6.184 5.731 1.00 0.00 C ATOM 346 O ALA A 93 6.819 7.002 6.342 1.00 0.00 O ATOM 347 CB ALA A 93 9.060 4.802 7.123 1.00 0.00 C ATOM 0 H ALA A 93 8.759 3.364 5.144 1.00 0.00 H new ATOM 0 HA ALA A 93 6.944 4.544 6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.994 5.557 7.907 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.206 3.821 7.575 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.903 5.030 6.470 1.00 0.00 H new ATOM 353 N GLU A 94 8.063 6.441 4.552 1.00 0.00 N ATOM 354 CA GLU A 94 7.887 7.728 3.892 1.00 0.00 C ATOM 355 C GLU A 94 6.464 7.889 3.379 1.00 0.00 C ATOM 356 O GLU A 94 5.866 8.958 3.509 1.00 0.00 O ATOM 357 CB GLU A 94 8.881 7.873 2.737 1.00 0.00 C ATOM 358 CG GLU A 94 9.125 9.316 2.324 1.00 0.00 C ATOM 359 CD GLU A 94 9.682 10.159 3.454 1.00 0.00 C ATOM 360 OE1 GLU A 94 8.893 10.578 4.326 1.00 0.00 O ATOM 361 OE2 GLU A 94 10.906 10.402 3.466 1.00 0.00 O ATOM 0 H GLU A 94 8.638 5.776 4.035 1.00 0.00 H new ATOM 0 HA GLU A 94 8.077 8.512 4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.830 7.421 3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.510 7.315 1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.819 9.337 1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.189 9.754 1.976 1.00 0.00 H new ATOM 368 N ILE A 95 5.922 6.824 2.803 1.00 0.00 N ATOM 369 CA ILE A 95 4.562 6.856 2.281 1.00 0.00 C ATOM 370 C ILE A 95 3.555 6.958 3.420 1.00 0.00 C ATOM 371 O ILE A 95 2.517 7.605 3.292 1.00 0.00 O ATOM 372 CB ILE A 95 4.251 5.611 1.424 1.00 0.00 C ATOM 373 CG1 ILE A 95 2.847 5.705 0.822 1.00 0.00 C ATOM 374 CG2 ILE A 95 4.397 4.345 2.252 1.00 0.00 C ATOM 375 CD1 ILE A 95 2.813 6.394 -0.525 1.00 0.00 C ATOM 0 H ILE A 95 6.401 5.931 2.686 1.00 0.00 H new ATOM 0 HA ILE A 95 4.480 7.737 1.644 1.00 0.00 H new ATOM 0 HB ILE A 95 4.969 5.570 0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.437 4.700 0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.199 6.244 1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.174 3.477 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.418 4.271 2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.704 4.378 3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.787 6.425 -0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.193 7.411 -0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.434 5.843 -1.231 1.00 0.00 H new ATOM 387 N GLU A 96 3.876 6.317 4.541 1.00 0.00 N ATOM 388 CA GLU A 96 3.006 6.342 5.708 1.00 0.00 C ATOM 389 C GLU A 96 2.855 7.767 6.231 1.00 0.00 C ATOM 390 O GLU A 96 1.809 8.137 6.764 1.00 0.00 O ATOM 391 CB GLU A 96 3.565 5.438 6.808 1.00 0.00 C ATOM 392 CG GLU A 96 2.493 4.679 7.575 1.00 0.00 C ATOM 393 CD GLU A 96 2.018 5.426 8.805 1.00 0.00 C ATOM 394 OE1 GLU A 96 2.866 5.774 9.654 1.00 0.00 O ATOM 395 OE2 GLU A 96 0.797 5.664 8.921 1.00 0.00 O ATOM 0 H GLU A 96 4.732 5.775 4.663 1.00 0.00 H new ATOM 0 HA GLU A 96 2.024 5.972 5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.257 4.723 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.140 6.044 7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.644 4.492 6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.885 3.707 7.874 1.00 0.00 H new ATOM 402 N GLU A 97 3.908 8.565 6.071 1.00 0.00 N ATOM 403 CA GLU A 97 3.893 9.951 6.524 1.00 0.00 C ATOM 404 C GLU A 97 3.005 10.818 5.630 1.00 0.00 C ATOM 405 O GLU A 97 2.725 11.970 5.954 1.00 0.00 O ATOM 406 CB GLU A 97 5.314 10.515 6.547 1.00 0.00 C ATOM 407 CG GLU A 97 6.093 10.150 7.801 1.00 0.00 C ATOM 408 CD GLU A 97 6.170 11.295 8.793 1.00 0.00 C ATOM 409 OE1 GLU A 97 6.561 12.409 8.384 1.00 0.00 O ATOM 410 OE2 GLU A 97 5.840 11.079 9.977 1.00 0.00 O ATOM 0 H GLU A 97 4.781 8.275 5.631 1.00 0.00 H new ATOM 0 HA GLU A 97 3.481 9.968 7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.855 10.150 5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.267 11.601 6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.623 9.291 8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.102 9.847 7.522 1.00 0.00 H new ATOM 417 N ASP A 98 2.566 10.258 4.501 1.00 0.00 N ATOM 418 CA ASP A 98 1.714 10.987 3.565 1.00 0.00 C ATOM 419 C ASP A 98 2.500 12.095 2.864 1.00 0.00 C ATOM 420 O ASP A 98 2.234 13.281 3.065 1.00 0.00 O ATOM 421 CB ASP A 98 0.502 11.580 4.290 1.00 0.00 C ATOM 422 CG ASP A 98 -0.745 11.584 3.426 1.00 0.00 C ATOM 423 OD1 ASP A 98 -1.230 10.487 3.082 1.00 0.00 O ATOM 424 OD2 ASP A 98 -1.233 12.685 3.095 1.00 0.00 O ATOM 0 H ASP A 98 2.787 9.304 4.215 1.00 0.00 H new ATOM 0 HA ASP A 98 1.362 10.283 2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.310 11.008 5.198 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.730 12.600 4.598 1.00 0.00 H new ATOM 429 N PRO A 99 3.484 11.718 2.033 1.00 0.00 N ATOM 430 CA PRO A 99 4.316 12.668 1.305 1.00 0.00 C ATOM 431 C PRO A 99 3.727 13.041 -0.051 1.00 0.00 C ATOM 432 O PRO A 99 2.570 12.739 -0.342 1.00 0.00 O ATOM 433 CB PRO A 99 5.615 11.890 1.129 1.00 0.00 C ATOM 434 CG PRO A 99 5.186 10.465 0.997 1.00 0.00 C ATOM 435 CD PRO A 99 3.874 10.327 1.740 1.00 0.00 C ATOM 0 HA PRO A 99 4.425 13.618 1.828 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.160 12.223 0.246 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.278 12.027 1.983 1.00 0.00 H new ATOM 0 HG2 PRO A 99 5.065 10.194 -0.052 1.00 0.00 H new ATOM 0 HG3 PRO A 99 5.938 9.796 1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.123 9.821 1.134 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.992 9.744 2.654 1.00 0.00 H new ATOM 443 N ILE A 100 4.535 13.697 -0.880 1.00 0.00 N ATOM 444 CA ILE A 100 4.101 14.110 -2.205 1.00 0.00 C ATOM 445 C ILE A 100 5.108 13.672 -3.266 1.00 0.00 C ATOM 446 O ILE A 100 6.316 13.674 -3.028 1.00 0.00 O ATOM 447 CB ILE A 100 3.916 15.637 -2.280 1.00 0.00 C ATOM 448 CG1 ILE A 100 3.457 16.054 -3.677 1.00 0.00 C ATOM 449 CG2 ILE A 100 5.210 16.348 -1.908 1.00 0.00 C ATOM 450 CD1 ILE A 100 2.399 17.136 -3.670 1.00 0.00 C ATOM 0 H ILE A 100 5.496 13.953 -0.653 1.00 0.00 H new ATOM 0 HA ILE A 100 3.142 13.628 -2.397 1.00 0.00 H new ATOM 0 HB ILE A 100 3.145 15.927 -1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.319 16.405 -4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.067 15.180 -4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.062 17.426 -1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.496 16.075 -0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.999 16.052 -2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.122 17.381 -4.695 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.520 16.782 -3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.792 18.026 -3.178 1.00 0.00 H new ATOM 462 N GLY A 101 4.602 13.300 -4.436 1.00 0.00 N ATOM 463 CA GLY A 101 5.471 12.867 -5.515 1.00 0.00 C ATOM 464 C GLY A 101 4.983 11.591 -6.176 1.00 0.00 C ATOM 465 O GLY A 101 5.090 10.507 -5.602 1.00 0.00 O ATOM 0 H GLY A 101 3.606 13.290 -4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.538 13.657 -6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.477 12.710 -5.126 1.00 0.00 H new ATOM 469 N GLU A 102 4.449 11.721 -7.385 1.00 0.00 N ATOM 470 CA GLU A 102 3.944 10.571 -8.125 1.00 0.00 C ATOM 471 C GLU A 102 5.079 9.635 -8.524 1.00 0.00 C ATOM 472 O GLU A 102 4.892 8.422 -8.623 1.00 0.00 O ATOM 473 CB GLU A 102 3.188 11.034 -9.373 1.00 0.00 C ATOM 474 CG GLU A 102 1.727 11.365 -9.113 1.00 0.00 C ATOM 475 CD GLU A 102 0.789 10.271 -9.583 1.00 0.00 C ATOM 476 OE1 GLU A 102 1.047 9.091 -9.267 1.00 0.00 O ATOM 477 OE2 GLU A 102 -0.205 10.595 -10.267 1.00 0.00 O ATOM 0 H GLU A 102 4.355 12.611 -7.874 1.00 0.00 H new ATOM 0 HA GLU A 102 3.261 10.025 -7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.684 11.914 -9.782 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.245 10.254 -10.132 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.580 11.531 -8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.474 12.297 -9.618 1.00 0.00 H new ATOM 484 N ASP A 103 6.258 10.206 -8.751 1.00 0.00 N ATOM 485 CA ASP A 103 7.426 9.421 -9.140 1.00 0.00 C ATOM 486 C ASP A 103 7.767 8.384 -8.075 1.00 0.00 C ATOM 487 O ASP A 103 8.284 7.311 -8.383 1.00 0.00 O ATOM 488 CB ASP A 103 8.626 10.338 -9.380 1.00 0.00 C ATOM 489 CG ASP A 103 9.023 11.107 -8.135 1.00 0.00 C ATOM 490 OD1 ASP A 103 8.134 11.718 -7.505 1.00 0.00 O ATOM 491 OD2 ASP A 103 10.223 11.098 -7.789 1.00 0.00 O ATOM 0 H ASP A 103 6.430 11.208 -8.673 1.00 0.00 H new ATOM 0 HA ASP A 103 7.187 8.897 -10.066 1.00 0.00 H new ATOM 0 HB2 ASP A 103 9.473 9.742 -9.721 1.00 0.00 H new ATOM 0 HB3 ASP A 103 8.389 11.041 -10.178 1.00 0.00 H new ATOM 496 N GLU A 104 7.475 8.712 -6.820 1.00 0.00 N ATOM 497 CA GLU A 104 7.754 7.808 -5.711 1.00 0.00 C ATOM 498 C GLU A 104 6.810 6.611 -5.733 1.00 0.00 C ATOM 499 O GLU A 104 7.202 5.491 -5.406 1.00 0.00 O ATOM 500 CB GLU A 104 7.629 8.549 -4.378 1.00 0.00 C ATOM 501 CG GLU A 104 8.507 9.785 -4.284 1.00 0.00 C ATOM 502 CD GLU A 104 9.973 9.476 -4.518 1.00 0.00 C ATOM 503 OE1 GLU A 104 10.396 8.339 -4.219 1.00 0.00 O ATOM 504 OE2 GLU A 104 10.699 10.373 -4.999 1.00 0.00 O ATOM 0 H GLU A 104 7.046 9.596 -6.547 1.00 0.00 H new ATOM 0 HA GLU A 104 8.775 7.443 -5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.589 8.840 -4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.888 7.868 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.173 10.520 -5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.387 10.238 -3.300 1.00 0.00 H new ATOM 511 N THR A 105 5.563 6.857 -6.119 1.00 0.00 N ATOM 512 CA THR A 105 4.561 5.798 -6.187 1.00 0.00 C ATOM 513 C THR A 105 4.828 4.875 -7.370 1.00 0.00 C ATOM 514 O THR A 105 4.619 3.665 -7.287 1.00 0.00 O ATOM 515 CB THR A 105 3.159 6.399 -6.296 1.00 0.00 C ATOM 516 OG1 THR A 105 3.143 7.728 -5.806 1.00 0.00 O ATOM 517 CG2 THR A 105 2.112 5.615 -5.534 1.00 0.00 C ATOM 0 H THR A 105 5.221 7.779 -6.389 1.00 0.00 H new ATOM 0 HA THR A 105 4.624 5.211 -5.271 1.00 0.00 H new ATOM 0 HB THR A 105 2.912 6.368 -7.357 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.238 8.095 -5.886 1.00 0.00 H new ATOM 0 HG21 THR A 105 1.140 6.095 -5.653 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.065 4.598 -5.923 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.376 5.587 -4.477 1.00 0.00 H new ATOM 525 N THR A 106 5.293 5.456 -8.470 1.00 0.00 N ATOM 526 CA THR A 106 5.592 4.687 -9.671 1.00 0.00 C ATOM 527 C THR A 106 6.840 3.837 -9.469 1.00 0.00 C ATOM 528 O THR A 106 6.946 2.731 -10.001 1.00 0.00 O ATOM 529 CB THR A 106 5.785 5.622 -10.866 1.00 0.00 C ATOM 530 OG1 THR A 106 4.803 6.643 -10.866 1.00 0.00 O ATOM 531 CG2 THR A 106 5.708 4.912 -12.201 1.00 0.00 C ATOM 0 H THR A 106 5.471 6.457 -8.554 1.00 0.00 H new ATOM 0 HA THR A 106 4.749 4.025 -9.871 1.00 0.00 H new ATOM 0 HB THR A 106 6.787 6.036 -10.750 1.00 0.00 H new ATOM 0 HG1 THR A 106 5.004 7.290 -10.158 1.00 0.00 H new ATOM 0 HG21 THR A 106 5.853 5.633 -13.005 1.00 0.00 H new ATOM 0 HG22 THR A 106 6.485 4.149 -12.253 1.00 0.00 H new ATOM 0 HG23 THR A 106 4.730 4.442 -12.307 1.00 0.00 H new ATOM 539 N TYR A 107 7.786 4.360 -8.695 1.00 0.00 N ATOM 540 CA TYR A 107 9.029 3.651 -8.419 1.00 0.00 C ATOM 541 C TYR A 107 8.774 2.424 -7.550 1.00 0.00 C ATOM 542 O TYR A 107 9.441 1.399 -7.696 1.00 0.00 O ATOM 543 CB TYR A 107 10.027 4.582 -7.729 1.00 0.00 C ATOM 544 CG TYR A 107 11.457 4.372 -8.170 1.00 0.00 C ATOM 545 CD1 TYR A 107 11.892 4.812 -9.414 1.00 0.00 C ATOM 546 CD2 TYR A 107 12.375 3.735 -7.342 1.00 0.00 C ATOM 547 CE1 TYR A 107 13.199 4.623 -9.821 1.00 0.00 C ATOM 548 CE2 TYR A 107 13.683 3.542 -7.742 1.00 0.00 C ATOM 549 CZ TYR A 107 14.090 3.987 -8.982 1.00 0.00 C ATOM 550 OH TYR A 107 15.392 3.797 -9.384 1.00 0.00 O ATOM 0 H TYR A 107 7.714 5.274 -8.248 1.00 0.00 H new ATOM 0 HA TYR A 107 9.449 3.319 -9.369 1.00 0.00 H new ATOM 0 HB2 TYR A 107 9.743 5.616 -7.927 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.963 4.434 -6.651 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.197 5.310 -10.074 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.060 3.385 -6.370 1.00 0.00 H new ATOM 0 HE1 TYR A 107 13.521 4.972 -10.791 1.00 0.00 H new ATOM 0 HE2 TYR A 107 14.383 3.045 -7.087 1.00 0.00 H new ATOM 0 HH TYR A 107 15.889 3.335 -8.677 1.00 0.00 H new ATOM 560 N LEU A 108 7.805 2.536 -6.647 1.00 0.00 N ATOM 561 CA LEU A 108 7.464 1.433 -5.755 1.00 0.00 C ATOM 562 C LEU A 108 6.825 0.286 -6.529 1.00 0.00 C ATOM 563 O LEU A 108 7.100 -0.884 -6.265 1.00 0.00 O ATOM 564 CB LEU A 108 6.514 1.915 -4.656 1.00 0.00 C ATOM 565 CG LEU A 108 7.198 2.457 -3.400 1.00 0.00 C ATOM 566 CD1 LEU A 108 6.355 3.549 -2.762 1.00 0.00 C ATOM 567 CD2 LEU A 108 7.458 1.334 -2.408 1.00 0.00 C ATOM 0 H LEU A 108 7.243 3.377 -6.514 1.00 0.00 H new ATOM 0 HA LEU A 108 8.384 1.070 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.873 2.695 -5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.865 1.087 -4.369 1.00 0.00 H new ATOM 0 HG LEU A 108 8.156 2.889 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 108 6.858 3.922 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.220 4.366 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.382 3.143 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.945 1.738 -1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.512 0.873 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 108 8.104 0.585 -2.867 1.00 0.00 H new ATOM 579 N LYS A 109 5.973 0.631 -7.487 1.00 0.00 N ATOM 580 CA LYS A 109 5.294 -0.368 -8.305 1.00 0.00 C ATOM 581 C LYS A 109 6.270 -1.040 -9.265 1.00 0.00 C ATOM 582 O LYS A 109 6.106 -2.208 -9.616 1.00 0.00 O ATOM 583 CB LYS A 109 4.151 0.278 -9.089 1.00 0.00 C ATOM 584 CG LYS A 109 2.987 -0.663 -9.356 1.00 0.00 C ATOM 585 CD LYS A 109 1.664 0.087 -9.408 1.00 0.00 C ATOM 586 CE LYS A 109 0.907 -0.028 -8.095 1.00 0.00 C ATOM 587 NZ LYS A 109 1.733 0.411 -6.935 1.00 0.00 N ATOM 0 H LYS A 109 5.735 1.596 -7.717 1.00 0.00 H new ATOM 0 HA LYS A 109 4.885 -1.129 -7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 109 3.787 1.145 -8.537 1.00 0.00 H new ATOM 0 HB3 LYS A 109 4.536 0.645 -10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 109 3.148 -1.184 -10.300 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.945 -1.423 -8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.849 1.138 -9.632 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.052 -0.309 -10.218 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.001 0.576 -8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.593 -1.061 -7.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.137 0.463 -6.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.502 -0.271 -6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.137 1.349 -7.132 1.00 0.00 H new ATOM 601 N ASN A 110 7.286 -0.293 -9.685 1.00 0.00 N ATOM 602 CA ASN A 110 8.289 -0.816 -10.606 1.00 0.00 C ATOM 603 C ASN A 110 9.357 -1.610 -9.860 1.00 0.00 C ATOM 604 O ASN A 110 9.958 -2.532 -10.412 1.00 0.00 O ATOM 605 CB ASN A 110 8.939 0.327 -11.387 1.00 0.00 C ATOM 606 CG ASN A 110 8.238 0.603 -12.702 1.00 0.00 C ATOM 607 OD1 ASN A 110 7.539 -0.256 -13.238 1.00 0.00 O ATOM 608 ND2 ASN A 110 8.423 1.806 -13.231 1.00 0.00 N ATOM 0 H ASN A 110 7.437 0.675 -9.403 1.00 0.00 H new ATOM 0 HA ASN A 110 7.788 -1.487 -11.304 1.00 0.00 H new ATOM 0 HB2 ASN A 110 8.930 1.231 -10.777 1.00 0.00 H new ATOM 0 HB3 ASN A 110 9.984 0.083 -11.580 1.00 0.00 H new ATOM 0 HD21 ASN A 110 7.977 2.048 -14.116 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.011 2.489 -12.753 1.00 0.00 H new ATOM 615 N SER A 111 9.590 -1.246 -8.602 1.00 0.00 N ATOM 616 CA SER A 111 10.587 -1.924 -7.783 1.00 0.00 C ATOM 617 C SER A 111 9.937 -2.977 -6.891 1.00 0.00 C ATOM 618 O SER A 111 10.336 -3.163 -5.741 1.00 0.00 O ATOM 619 CB SER A 111 11.351 -0.912 -6.928 1.00 0.00 C ATOM 620 OG SER A 111 12.739 -1.201 -6.910 1.00 0.00 O ATOM 0 H SER A 111 9.102 -0.486 -8.129 1.00 0.00 H new ATOM 0 HA SER A 111 11.288 -2.425 -8.451 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.191 0.093 -7.319 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.961 -0.924 -5.910 1.00 0.00 H new ATOM 0 HG SER A 111 13.204 -0.538 -6.358 1.00 0.00 H new ATOM 626 N VAL A 112 8.933 -3.664 -7.427 1.00 0.00 N ATOM 627 CA VAL A 112 8.230 -4.697 -6.680 1.00 0.00 C ATOM 628 C VAL A 112 8.846 -6.070 -6.926 1.00 0.00 C ATOM 629 O VAL A 112 9.083 -6.458 -8.070 1.00 0.00 O ATOM 630 CB VAL A 112 6.732 -4.740 -7.050 1.00 0.00 C ATOM 631 CG1 VAL A 112 6.552 -5.084 -8.521 1.00 0.00 C ATOM 632 CG2 VAL A 112 5.990 -5.732 -6.167 1.00 0.00 C ATOM 0 H VAL A 112 8.589 -3.523 -8.377 1.00 0.00 H new ATOM 0 HA VAL A 112 8.327 -4.444 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 112 6.308 -3.750 -6.879 1.00 0.00 H new ATOM 0 HG11 VAL A 112 5.489 -5.109 -8.761 1.00 0.00 H new ATOM 0 HG12 VAL A 112 7.045 -4.329 -9.134 1.00 0.00 H new ATOM 0 HG13 VAL A 112 6.993 -6.060 -8.723 1.00 0.00 H new ATOM 0 HG21 VAL A 112 4.936 -5.748 -6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 112 6.415 -6.727 -6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 112 6.087 -5.433 -5.123 1.00 0.00 H new ATOM 642 N CYS A 113 9.105 -6.800 -5.846 1.00 0.00 N ATOM 643 CA CYS A 113 9.693 -8.129 -5.945 1.00 0.00 C ATOM 644 C CYS A 113 8.683 -9.129 -6.505 1.00 0.00 C ATOM 645 O CYS A 113 8.288 -10.077 -5.827 1.00 0.00 O ATOM 646 CB CYS A 113 10.192 -8.593 -4.574 1.00 0.00 C ATOM 647 SG CYS A 113 11.981 -8.364 -4.317 1.00 0.00 S ATOM 0 H CYS A 113 8.916 -6.492 -4.892 1.00 0.00 H new ATOM 0 HA CYS A 113 10.540 -8.077 -6.629 1.00 0.00 H new ATOM 0 HB2 CYS A 113 9.652 -8.049 -3.799 1.00 0.00 H new ATOM 0 HB3 CYS A 113 9.950 -9.648 -4.449 1.00 0.00 H new ATOM 652 N ALA A 114 8.268 -8.906 -7.748 1.00 0.00 N ATOM 653 CA ALA A 114 7.303 -9.783 -8.401 1.00 0.00 C ATOM 654 C ALA A 114 7.861 -11.194 -8.554 1.00 0.00 C ATOM 655 O ALA A 114 9.049 -11.378 -8.821 1.00 0.00 O ATOM 656 CB ALA A 114 6.913 -9.218 -9.757 1.00 0.00 C ATOM 0 H ALA A 114 8.585 -8.125 -8.323 1.00 0.00 H new ATOM 0 HA ALA A 114 6.414 -9.838 -7.773 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.192 -9.882 -10.234 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.467 -8.232 -9.626 1.00 0.00 H new ATOM 0 HB3 ALA A 114 7.800 -9.134 -10.385 1.00 0.00 H new ATOM 662 N GLY A 115 6.996 -12.188 -8.382 1.00 0.00 N ATOM 663 CA GLY A 115 7.420 -13.571 -8.505 1.00 0.00 C ATOM 664 C GLY A 115 7.097 -14.388 -7.268 1.00 0.00 C ATOM 665 O GLY A 115 6.009 -14.956 -7.164 1.00 0.00 O ATOM 0 H GLY A 115 6.009 -12.061 -8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.935 -14.021 -9.371 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.494 -13.604 -8.688 1.00 0.00 H new ATOM 669 N PRO A 116 8.029 -14.468 -6.303 1.00 0.00 N ATOM 670 CA PRO A 116 7.824 -15.230 -5.067 1.00 0.00 C ATOM 671 C PRO A 116 6.533 -14.837 -4.355 1.00 0.00 C ATOM 672 O PRO A 116 5.748 -15.695 -3.953 1.00 0.00 O ATOM 673 CB PRO A 116 9.039 -14.860 -4.212 1.00 0.00 C ATOM 674 CG PRO A 116 10.085 -14.462 -5.194 1.00 0.00 C ATOM 675 CD PRO A 116 9.355 -13.822 -6.342 1.00 0.00 C ATOM 0 HA PRO A 116 7.732 -16.299 -5.258 1.00 0.00 H new ATOM 0 HB2 PRO A 116 8.808 -14.044 -3.527 1.00 0.00 H new ATOM 0 HB3 PRO A 116 9.367 -15.703 -3.604 1.00 0.00 H new ATOM 0 HG2 PRO A 116 10.795 -13.766 -4.747 1.00 0.00 H new ATOM 0 HG3 PRO A 116 10.655 -15.328 -5.529 1.00 0.00 H new ATOM 0 HD2 PRO A 116 9.280 -12.742 -6.219 1.00 0.00 H new ATOM 0 HD3 PRO A 116 9.862 -14.000 -7.290 1.00 0.00 H new ATOM 683 N GLU A 117 6.321 -13.533 -4.205 1.00 0.00 N ATOM 684 CA GLU A 117 5.125 -13.025 -3.542 1.00 0.00 C ATOM 685 C GLU A 117 4.756 -11.642 -4.072 1.00 0.00 C ATOM 686 O GLU A 117 5.556 -10.990 -4.743 1.00 0.00 O ATOM 687 CB GLU A 117 5.342 -12.963 -2.029 1.00 0.00 C ATOM 688 CG GLU A 117 4.102 -13.313 -1.223 1.00 0.00 C ATOM 689 CD GLU A 117 4.410 -14.209 -0.039 1.00 0.00 C ATOM 690 OE1 GLU A 117 4.863 -15.352 -0.262 1.00 0.00 O ATOM 691 OE2 GLU A 117 4.199 -13.769 1.110 1.00 0.00 O ATOM 0 H GLU A 117 6.961 -12.810 -4.533 1.00 0.00 H new ATOM 0 HA GLU A 117 4.303 -13.708 -3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 117 6.147 -13.646 -1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.670 -11.960 -1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 117 3.633 -12.395 -0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 117 3.380 -13.809 -1.871 1.00 0.00 H new ATOM 698 N ASP A 118 3.541 -11.202 -3.765 1.00 0.00 N ATOM 699 CA ASP A 118 3.065 -9.896 -4.209 1.00 0.00 C ATOM 700 C ASP A 118 3.444 -8.809 -3.210 1.00 0.00 C ATOM 701 O ASP A 118 3.831 -7.705 -3.593 1.00 0.00 O ATOM 702 CB ASP A 118 1.547 -9.922 -4.403 1.00 0.00 C ATOM 703 CG ASP A 118 1.144 -10.530 -5.732 1.00 0.00 C ATOM 704 OD1 ASP A 118 1.315 -11.755 -5.901 1.00 0.00 O ATOM 705 OD2 ASP A 118 0.657 -9.780 -6.604 1.00 0.00 O ATOM 0 H ASP A 118 2.867 -11.730 -3.210 1.00 0.00 H new ATOM 0 HA ASP A 118 3.542 -9.668 -5.162 1.00 0.00 H new ATOM 0 HB2 ASP A 118 1.090 -10.490 -3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 118 1.158 -8.906 -4.339 1.00 0.00 H new ATOM 710 N ASN A 119 3.330 -9.127 -1.924 1.00 0.00 N ATOM 711 CA ASN A 119 3.661 -8.178 -0.869 1.00 0.00 C ATOM 712 C ASN A 119 5.166 -8.132 -0.631 1.00 0.00 C ATOM 713 O ASN A 119 5.676 -8.744 0.307 1.00 0.00 O ATOM 714 CB ASN A 119 2.941 -8.552 0.428 1.00 0.00 C ATOM 715 CG ASN A 119 1.583 -7.887 0.547 1.00 0.00 C ATOM 716 OD1 ASN A 119 1.423 -6.712 0.223 1.00 0.00 O ATOM 717 ND2 ASN A 119 0.596 -8.642 1.017 1.00 0.00 N ATOM 0 H ASN A 119 3.011 -10.036 -1.588 1.00 0.00 H new ATOM 0 HA ASN A 119 3.330 -7.190 -1.189 1.00 0.00 H new ATOM 0 HB2 ASN A 119 2.818 -9.634 0.473 1.00 0.00 H new ATOM 0 HB3 ASN A 119 3.559 -8.266 1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -0.340 -8.251 1.121 1.00 0.00 H new ATOM 0 HD22 ASN A 119 0.774 -9.613 1.274 1.00 0.00 H new ATOM 724 N SER A 120 5.873 -7.400 -1.486 1.00 0.00 N ATOM 725 CA SER A 120 7.321 -7.273 -1.367 1.00 0.00 C ATOM 726 C SER A 120 7.821 -6.032 -2.098 1.00 0.00 C ATOM 727 O SER A 120 7.310 -5.675 -3.159 1.00 0.00 O ATOM 728 CB SER A 120 8.010 -8.520 -1.925 1.00 0.00 C ATOM 729 OG SER A 120 7.731 -9.658 -1.128 1.00 0.00 O ATOM 0 H SER A 120 5.467 -6.886 -2.268 1.00 0.00 H new ATOM 0 HA SER A 120 7.566 -7.172 -0.310 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.675 -8.697 -2.947 1.00 0.00 H new ATOM 0 HB3 SER A 120 9.087 -8.356 -1.966 1.00 0.00 H new ATOM 0 HG SER A 120 7.234 -9.384 -0.329 1.00 0.00 H new ATOM 735 N VAL A 121 8.826 -5.379 -1.523 1.00 0.00 N ATOM 736 CA VAL A 121 9.400 -4.179 -2.117 1.00 0.00 C ATOM 737 C VAL A 121 10.920 -4.283 -2.190 1.00 0.00 C ATOM 738 O VAL A 121 11.535 -5.051 -1.451 1.00 0.00 O ATOM 739 CB VAL A 121 9.010 -2.916 -1.318 1.00 0.00 C ATOM 740 CG1 VAL A 121 9.633 -1.672 -1.936 1.00 0.00 C ATOM 741 CG2 VAL A 121 7.496 -2.780 -1.242 1.00 0.00 C ATOM 0 H VAL A 121 9.260 -5.662 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 121 8.997 -4.094 -3.126 1.00 0.00 H new ATOM 0 HB VAL A 121 9.397 -3.019 -0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.345 -0.795 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 121 10.719 -1.769 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.282 -1.561 -2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.239 -1.885 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.087 -2.702 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.076 -3.656 -0.747 1.00 0.00 H new ATOM 751 N CYS A 122 11.520 -3.507 -3.087 1.00 0.00 N ATOM 752 CA CYS A 122 12.970 -3.516 -3.256 1.00 0.00 C ATOM 753 C CYS A 122 13.581 -2.197 -2.799 1.00 0.00 C ATOM 754 O CYS A 122 13.144 -1.122 -3.209 1.00 0.00 O ATOM 755 CB CYS A 122 13.332 -3.783 -4.718 1.00 0.00 C ATOM 756 SG CYS A 122 13.625 -5.539 -5.104 1.00 0.00 S ATOM 0 H CYS A 122 11.026 -2.865 -3.707 1.00 0.00 H new ATOM 0 HA CYS A 122 13.378 -4.315 -2.637 1.00 0.00 H new ATOM 0 HB2 CYS A 122 12.528 -3.412 -5.354 1.00 0.00 H new ATOM 0 HB3 CYS A 122 14.226 -3.213 -4.969 1.00 0.00 H new ATOM 761 N CYS A 123 14.594 -2.290 -1.946 1.00 0.00 N ATOM 762 CA CYS A 123 15.271 -1.108 -1.426 1.00 0.00 C ATOM 763 C CYS A 123 16.776 -1.199 -1.662 1.00 0.00 C ATOM 764 O CYS A 123 17.437 -2.110 -1.166 1.00 0.00 O ATOM 765 CB CYS A 123 14.985 -0.949 0.067 1.00 0.00 C ATOM 766 SG CYS A 123 13.446 -0.050 0.439 1.00 0.00 S ATOM 0 H CYS A 123 14.966 -3.174 -1.599 1.00 0.00 H new ATOM 0 HA CYS A 123 14.890 -0.235 -1.956 1.00 0.00 H new ATOM 0 HB2 CYS A 123 14.935 -1.938 0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 123 15.820 -0.425 0.532 1.00 0.00 H new ATOM 771 N GLY A 124 17.309 -0.248 -2.421 1.00 0.00 N ATOM 772 CA GLY A 124 18.733 -0.239 -2.709 1.00 0.00 C ATOM 773 C GLY A 124 19.399 1.060 -2.301 1.00 0.00 C ATOM 774 O GLY A 124 20.601 1.032 -1.966 1.00 0.00 O ATOM 775 OXT GLY A 124 18.718 2.108 -2.320 1.00 0.00 O ATOM 0 H GLY A 124 16.782 0.517 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 124 19.211 -1.068 -2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.886 -0.403 -3.776 1.00 0.00 H new TER 779 GLY A 124