USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 263 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 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.227 K(o=-0.23,f=-1.2!) USER MOD Single : A 74 TYR OH : rot 180:sc= -3.09! USER MOD Single : A 81 GLN : amide:sc= -7.1! C(o=-7.1!,f=-6.3!) USER MOD Single : A 82 LYS NZ :NH3+ -165:sc= -0.407 (180deg=-0.997) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.268 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 61 -10.972 -0.061 4.420 1.00 0.00 N ATOM 2 CA LYS A 61 -10.723 -1.068 3.351 1.00 0.00 C ATOM 3 C LYS A 61 -9.268 -0.970 2.885 1.00 0.00 C ATOM 4 O LYS A 61 -8.866 0.003 2.280 1.00 0.00 O ATOM 5 CB LYS A 61 -11.655 -0.794 2.168 1.00 0.00 C ATOM 6 CG LYS A 61 -12.085 -2.120 1.537 1.00 0.00 C ATOM 7 CD LYS A 61 -12.985 -2.885 2.511 1.00 0.00 C ATOM 8 CE LYS A 61 -14.292 -3.261 1.811 1.00 0.00 C ATOM 9 NZ LYS A 61 -15.092 -4.150 2.700 1.00 0.00 N ATOM 0 HA LYS A 61 -10.913 -2.068 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.531 -0.238 2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.148 -0.175 1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.617 -1.935 0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.208 -2.718 1.290 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.477 -3.783 2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.193 -2.272 3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.860 -2.362 1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.080 -3.766 0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.981 -4.407 2.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.549 -5.012 2.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.305 -3.652 3.588 1.00 0.00 H new ATOM 23 N ILE A 62 -8.481 -1.980 3.150 1.00 0.00 N ATOM 24 CA ILE A 62 -7.052 -1.955 2.708 1.00 0.00 C ATOM 25 C ILE A 62 -6.522 -3.389 2.610 1.00 0.00 C ATOM 26 O ILE A 62 -6.723 -4.198 3.493 1.00 0.00 O ATOM 27 CB ILE A 62 -6.173 -1.176 3.700 1.00 0.00 C ATOM 28 CG1 ILE A 62 -6.740 0.231 3.937 1.00 0.00 C ATOM 29 CG2 ILE A 62 -4.762 -1.060 3.119 1.00 0.00 C ATOM 30 CD1 ILE A 62 -5.818 1.006 4.881 1.00 0.00 C ATOM 0 H ILE A 62 -8.764 -2.821 3.653 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.010 -1.461 1.737 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.152 -1.707 4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.834 0.760 2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.740 0.163 4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.127 -0.509 3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.350 -2.057 2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.803 -0.531 2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.223 2.004 5.047 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.747 0.480 5.833 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.826 1.087 4.436 1.00 0.00 H new ATOM 42 N THR A 63 -5.844 -3.704 1.539 1.00 0.00 N ATOM 43 CA THR A 63 -5.292 -5.081 1.371 1.00 0.00 C ATOM 44 C THR A 63 -3.796 -4.995 1.058 1.00 0.00 C ATOM 45 O THR A 63 -3.394 -4.463 0.043 1.00 0.00 O ATOM 46 CB THR A 63 -6.015 -5.782 0.217 1.00 0.00 C ATOM 47 OG1 THR A 63 -7.418 -5.714 0.428 1.00 0.00 O ATOM 48 CG2 THR A 63 -5.576 -7.246 0.151 1.00 0.00 C ATOM 0 H THR A 63 -5.648 -3.064 0.769 1.00 0.00 H new ATOM 0 HA THR A 63 -5.439 -5.647 2.291 1.00 0.00 H new ATOM 0 HB THR A 63 -5.765 -5.288 -0.722 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.882 -6.161 -0.311 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.091 -7.744 -0.671 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.499 -7.296 -0.012 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.824 -7.743 1.089 1.00 0.00 H new ATOM 56 N PHE A 64 -2.968 -5.514 1.925 1.00 0.00 N ATOM 57 CA PHE A 64 -1.500 -5.462 1.679 1.00 0.00 C ATOM 58 C PHE A 64 -1.028 -6.805 1.099 1.00 0.00 C ATOM 59 O PHE A 64 -1.353 -7.849 1.626 1.00 0.00 O ATOM 60 CB PHE A 64 -0.766 -5.236 3.005 1.00 0.00 C ATOM 61 CG PHE A 64 -1.291 -3.999 3.689 1.00 0.00 C ATOM 62 CD1 PHE A 64 -0.981 -2.734 3.181 1.00 0.00 C ATOM 63 CD2 PHE A 64 -2.079 -4.119 4.840 1.00 0.00 C ATOM 64 CE1 PHE A 64 -1.458 -1.586 3.823 1.00 0.00 C ATOM 65 CE2 PHE A 64 -2.558 -2.971 5.482 1.00 0.00 C ATOM 66 CZ PHE A 64 -2.246 -1.705 4.974 1.00 0.00 C ATOM 0 H PHE A 64 -3.246 -5.972 2.793 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.287 -4.651 0.983 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.898 -6.102 3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.304 -5.133 2.823 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.373 -2.643 2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.317 -5.097 5.232 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.218 -0.609 3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.168 -3.062 6.369 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.613 -0.819 5.470 1.00 0.00 H new ATOM 76 N PRO A 65 -0.242 -6.794 0.046 1.00 0.00 N ATOM 77 CA PRO A 65 0.289 -8.051 -0.551 1.00 0.00 C ATOM 78 C PRO A 65 0.841 -9.006 0.512 1.00 0.00 C ATOM 79 O PRO A 65 1.231 -8.598 1.588 1.00 0.00 O ATOM 80 CB PRO A 65 1.432 -7.571 -1.444 1.00 0.00 C ATOM 81 CG PRO A 65 1.095 -6.167 -1.815 1.00 0.00 C ATOM 82 CD PRO A 65 0.213 -5.604 -0.699 1.00 0.00 C ATOM 0 HA PRO A 65 -0.488 -8.604 -1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.386 -7.618 -0.918 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.525 -8.198 -2.331 1.00 0.00 H new ATOM 0 HG2 PRO A 65 2.001 -5.571 -1.928 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.572 -6.136 -2.771 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.771 -4.923 -0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.629 -5.042 -1.103 1.00 0.00 H new ATOM 90 N SER A 66 0.875 -10.274 0.214 1.00 0.00 N ATOM 91 CA SER A 66 1.399 -11.272 1.193 1.00 0.00 C ATOM 92 C SER A 66 2.868 -10.980 1.519 1.00 0.00 C ATOM 93 O SER A 66 3.477 -11.675 2.309 1.00 0.00 O ATOM 94 CB SER A 66 1.288 -12.670 0.585 1.00 0.00 C ATOM 95 OG SER A 66 -0.083 -13.030 0.483 1.00 0.00 O ATOM 0 H SER A 66 0.560 -10.667 -0.673 1.00 0.00 H new ATOM 0 HA SER A 66 0.815 -11.211 2.111 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.755 -12.689 -0.400 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.820 -13.392 1.204 1.00 0.00 H new ATOM 0 HG SER A 66 -0.158 -13.925 0.092 1.00 0.00 H new ATOM 101 N ASP A 67 3.449 -9.976 0.912 1.00 0.00 N ATOM 102 CA ASP A 67 4.887 -9.669 1.190 1.00 0.00 C ATOM 103 C ASP A 67 5.058 -8.210 1.629 1.00 0.00 C ATOM 104 O ASP A 67 6.152 -7.684 1.616 1.00 0.00 O ATOM 105 CB ASP A 67 5.705 -9.905 -0.081 1.00 0.00 C ATOM 106 CG ASP A 67 6.127 -11.373 -0.150 1.00 0.00 C ATOM 107 OD1 ASP A 67 7.180 -11.692 0.379 1.00 0.00 O ATOM 108 OD2 ASP A 67 5.391 -12.153 -0.730 1.00 0.00 O ATOM 0 H ASP A 67 2.994 -9.358 0.240 1.00 0.00 H new ATOM 0 HA ASP A 67 5.233 -10.320 1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.115 -9.643 -0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.585 -9.262 -0.085 1.00 0.00 H new ATOM 113 N ILE A 68 3.994 -7.547 2.005 1.00 0.00 N ATOM 114 CA ILE A 68 4.119 -6.118 2.429 1.00 0.00 C ATOM 115 C ILE A 68 3.672 -5.929 3.881 1.00 0.00 C ATOM 116 O ILE A 68 2.605 -6.349 4.284 1.00 0.00 O ATOM 117 CB ILE A 68 3.250 -5.239 1.529 1.00 0.00 C ATOM 118 CG1 ILE A 68 3.887 -5.101 0.135 1.00 0.00 C ATOM 119 CG2 ILE A 68 3.094 -3.854 2.161 1.00 0.00 C ATOM 120 CD1 ILE A 68 5.297 -4.503 0.232 1.00 0.00 C ATOM 0 H ILE A 68 3.049 -7.930 2.037 1.00 0.00 H new ATOM 0 HA ILE A 68 5.168 -5.833 2.344 1.00 0.00 H new ATOM 0 HB ILE A 68 2.271 -5.706 1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.935 -6.078 -0.345 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.262 -4.467 -0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.474 -3.229 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.621 -3.951 3.138 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.076 -3.394 2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.725 -4.416 -0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.243 -3.516 0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.926 -5.152 0.841 1.00 0.00 H new ATOM 132 N ASP A 69 4.492 -5.276 4.656 1.00 0.00 N ATOM 133 CA ASP A 69 4.145 -5.020 6.084 1.00 0.00 C ATOM 134 C ASP A 69 3.420 -3.665 6.179 1.00 0.00 C ATOM 135 O ASP A 69 3.801 -2.716 5.524 1.00 0.00 O ATOM 136 CB ASP A 69 5.431 -4.980 6.914 1.00 0.00 C ATOM 137 CG ASP A 69 5.091 -4.741 8.386 1.00 0.00 C ATOM 138 OD1 ASP A 69 4.663 -3.644 8.704 1.00 0.00 O ATOM 139 OD2 ASP A 69 5.264 -5.659 9.170 1.00 0.00 O ATOM 0 H ASP A 69 5.395 -4.905 4.360 1.00 0.00 H new ATOM 0 HA ASP A 69 3.498 -5.810 6.464 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.974 -5.918 6.805 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.085 -4.188 6.549 1.00 0.00 H new ATOM 144 N PRO A 70 2.375 -3.566 6.974 1.00 0.00 N ATOM 145 CA PRO A 70 1.600 -2.293 7.118 1.00 0.00 C ATOM 146 C PRO A 70 2.412 -1.162 7.761 1.00 0.00 C ATOM 147 O PRO A 70 2.269 -0.009 7.408 1.00 0.00 O ATOM 148 CB PRO A 70 0.416 -2.671 8.012 1.00 0.00 C ATOM 149 CG PRO A 70 0.833 -3.910 8.733 1.00 0.00 C ATOM 150 CD PRO A 70 1.814 -4.638 7.817 1.00 0.00 C ATOM 0 HA PRO A 70 1.306 -1.906 6.142 1.00 0.00 H new ATOM 0 HB2 PRO A 70 0.183 -1.870 8.713 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.482 -2.846 7.419 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.302 -3.665 9.686 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.030 -4.538 8.955 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.592 -5.146 8.388 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.312 -5.397 7.217 1.00 0.00 H new ATOM 158 N GLN A 71 3.263 -1.477 8.698 1.00 0.00 N ATOM 159 CA GLN A 71 4.076 -0.413 9.355 1.00 0.00 C ATOM 160 C GLN A 71 5.181 0.050 8.404 1.00 0.00 C ATOM 161 O GLN A 71 5.583 1.196 8.422 1.00 0.00 O ATOM 162 CB GLN A 71 4.697 -0.958 10.643 1.00 0.00 C ATOM 163 CG GLN A 71 5.118 0.207 11.541 1.00 0.00 C ATOM 164 CD GLN A 71 6.362 -0.188 12.340 1.00 0.00 C ATOM 165 OE1 GLN A 71 7.255 -0.827 11.820 1.00 0.00 O ATOM 166 NE2 GLN A 71 6.458 0.167 13.593 1.00 0.00 N ATOM 0 H GLN A 71 3.431 -2.424 9.038 1.00 0.00 H new ATOM 0 HA GLN A 71 3.433 0.433 9.598 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.980 -1.592 11.165 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.561 -1.580 10.408 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.326 1.089 10.936 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.306 0.470 12.219 1.00 0.00 H new ATOM 0 HE21 GLN A 71 5.709 0.703 14.030 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.282 -0.092 14.135 1.00 0.00 H new ATOM 175 N VAL A 72 5.670 -0.818 7.567 1.00 0.00 N ATOM 176 CA VAL A 72 6.737 -0.403 6.616 1.00 0.00 C ATOM 177 C VAL A 72 6.096 0.275 5.405 1.00 0.00 C ATOM 178 O VAL A 72 6.730 1.027 4.692 1.00 0.00 O ATOM 179 CB VAL A 72 7.529 -1.628 6.154 1.00 0.00 C ATOM 180 CG1 VAL A 72 8.692 -1.175 5.268 1.00 0.00 C ATOM 181 CG2 VAL A 72 8.079 -2.369 7.374 1.00 0.00 C ATOM 0 H VAL A 72 5.379 -1.793 7.499 1.00 0.00 H new ATOM 0 HA VAL A 72 7.413 0.292 7.114 1.00 0.00 H new ATOM 0 HB VAL A 72 6.876 -2.293 5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.258 -2.046 4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.302 -0.644 4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.345 -0.512 5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.643 -3.242 7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.734 -1.705 7.938 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.252 -2.689 8.008 1.00 0.00 H new ATOM 191 N PHE A 73 4.843 0.003 5.159 1.00 0.00 N ATOM 192 CA PHE A 73 4.150 0.613 3.989 1.00 0.00 C ATOM 193 C PHE A 73 3.760 2.066 4.293 1.00 0.00 C ATOM 194 O PHE A 73 4.132 2.979 3.584 1.00 0.00 O ATOM 195 CB PHE A 73 2.888 -0.201 3.695 1.00 0.00 C ATOM 196 CG PHE A 73 2.363 0.143 2.326 1.00 0.00 C ATOM 197 CD1 PHE A 73 3.126 -0.149 1.190 1.00 0.00 C ATOM 198 CD2 PHE A 73 1.110 0.752 2.189 1.00 0.00 C ATOM 199 CE1 PHE A 73 2.638 0.170 -0.080 1.00 0.00 C ATOM 200 CE2 PHE A 73 0.622 1.072 0.918 1.00 0.00 C ATOM 201 CZ PHE A 73 1.386 0.781 -0.216 1.00 0.00 C ATOM 0 H PHE A 73 4.266 -0.621 5.723 1.00 0.00 H new ATOM 0 HA PHE A 73 4.818 0.607 3.128 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.111 -1.267 3.751 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.128 0.006 4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.092 -0.621 1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.520 0.975 3.065 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.227 -0.055 -0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.344 1.543 0.813 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.010 1.028 -1.198 1.00 0.00 H new ATOM 211 N TYR A 74 3.003 2.287 5.335 1.00 0.00 N ATOM 212 CA TYR A 74 2.583 3.684 5.664 1.00 0.00 C ATOM 213 C TYR A 74 3.820 4.566 5.852 1.00 0.00 C ATOM 214 O TYR A 74 3.732 5.778 5.850 1.00 0.00 O ATOM 215 CB TYR A 74 1.747 3.697 6.945 1.00 0.00 C ATOM 216 CG TYR A 74 0.373 3.138 6.669 1.00 0.00 C ATOM 217 CD1 TYR A 74 -0.483 3.790 5.774 1.00 0.00 C ATOM 218 CD2 TYR A 74 -0.047 1.968 7.314 1.00 0.00 C ATOM 219 CE1 TYR A 74 -1.759 3.272 5.524 1.00 0.00 C ATOM 220 CE2 TYR A 74 -1.323 1.450 7.063 1.00 0.00 C ATOM 221 CZ TYR A 74 -2.179 2.101 6.168 1.00 0.00 C ATOM 222 OH TYR A 74 -3.436 1.591 5.923 1.00 0.00 O ATOM 0 H TYR A 74 2.658 1.567 5.970 1.00 0.00 H new ATOM 0 HA TYR A 74 1.981 4.072 4.842 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.240 3.107 7.717 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.665 4.715 7.325 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.159 4.692 5.277 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.614 1.465 8.005 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.420 3.775 4.834 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.647 0.548 7.560 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.566 0.775 6.450 1.00 0.00 H new ATOM 232 N GLU A 75 4.970 3.978 6.019 1.00 0.00 N ATOM 233 CA GLU A 75 6.203 4.794 6.208 1.00 0.00 C ATOM 234 C GLU A 75 6.771 5.205 4.847 1.00 0.00 C ATOM 235 O GLU A 75 7.740 5.934 4.766 1.00 0.00 O ATOM 236 CB GLU A 75 7.248 3.968 6.960 1.00 0.00 C ATOM 237 CG GLU A 75 6.944 3.996 8.459 1.00 0.00 C ATOM 238 CD GLU A 75 7.416 5.326 9.051 1.00 0.00 C ATOM 239 OE1 GLU A 75 7.999 6.106 8.317 1.00 0.00 O ATOM 240 OE2 GLU A 75 7.185 5.542 10.230 1.00 0.00 O ATOM 0 H GLU A 75 5.111 2.968 6.033 1.00 0.00 H new ATOM 0 HA GLU A 75 5.955 5.688 6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.243 2.940 6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.245 4.368 6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.874 3.871 8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.444 3.166 8.958 1.00 0.00 H new ATOM 247 N LEU A 76 6.186 4.740 3.778 1.00 0.00 N ATOM 248 CA LEU A 76 6.707 5.103 2.427 1.00 0.00 C ATOM 249 C LEU A 76 6.051 6.409 1.951 1.00 0.00 C ATOM 250 O LEU A 76 4.942 6.719 2.337 1.00 0.00 O ATOM 251 CB LEU A 76 6.378 3.977 1.445 1.00 0.00 C ATOM 252 CG LEU A 76 7.159 2.720 1.833 1.00 0.00 C ATOM 253 CD1 LEU A 76 6.747 1.560 0.927 1.00 0.00 C ATOM 254 CD2 LEU A 76 8.660 2.982 1.677 1.00 0.00 C ATOM 0 H LEU A 76 5.372 4.126 3.780 1.00 0.00 H new ATOM 0 HA LEU A 76 7.787 5.244 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.308 3.771 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.634 4.279 0.429 1.00 0.00 H new ATOM 0 HG LEU A 76 6.940 2.464 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.304 0.666 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.679 1.372 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.963 1.814 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.216 2.086 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.879 3.240 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.955 3.807 2.326 1.00 0.00 H new ATOM 266 N PRO A 77 6.720 7.169 1.108 1.00 0.00 N ATOM 267 CA PRO A 77 6.159 8.447 0.582 1.00 0.00 C ATOM 268 C PRO A 77 4.775 8.247 -0.045 1.00 0.00 C ATOM 269 O PRO A 77 4.423 7.160 -0.459 1.00 0.00 O ATOM 270 CB PRO A 77 7.151 8.899 -0.493 1.00 0.00 C ATOM 271 CG PRO A 77 8.412 8.130 -0.267 1.00 0.00 C ATOM 272 CD PRO A 77 8.071 6.901 0.580 1.00 0.00 C ATOM 0 HA PRO A 77 6.031 9.177 1.382 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.755 8.707 -1.490 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.334 9.971 -0.424 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.850 7.828 -1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.151 8.750 0.241 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.088 5.991 -0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.791 6.765 1.387 1.00 0.00 H new ATOM 280 N GLU A 78 3.991 9.288 -0.121 1.00 0.00 N ATOM 281 CA GLU A 78 2.634 9.162 -0.725 1.00 0.00 C ATOM 282 C GLU A 78 2.752 8.798 -2.208 1.00 0.00 C ATOM 283 O GLU A 78 2.134 7.862 -2.674 1.00 0.00 O ATOM 284 CB GLU A 78 1.886 10.491 -0.579 1.00 0.00 C ATOM 285 CG GLU A 78 0.427 10.318 -1.014 1.00 0.00 C ATOM 286 CD GLU A 78 -0.492 10.994 0.006 1.00 0.00 C ATOM 287 OE1 GLU A 78 -0.635 12.204 -0.067 1.00 0.00 O ATOM 288 OE2 GLU A 78 -1.037 10.292 0.842 1.00 0.00 O ATOM 0 H GLU A 78 4.232 10.222 0.210 1.00 0.00 H new ATOM 0 HA GLU A 78 2.084 8.375 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.928 10.830 0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.367 11.258 -1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.276 10.755 -2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.183 9.259 -1.094 1.00 0.00 H new ATOM 295 N ALA A 79 3.533 9.530 -2.959 1.00 0.00 N ATOM 296 CA ALA A 79 3.671 9.215 -4.412 1.00 0.00 C ATOM 297 C ALA A 79 4.032 7.736 -4.579 1.00 0.00 C ATOM 298 O ALA A 79 3.590 7.077 -5.502 1.00 0.00 O ATOM 299 CB ALA A 79 4.770 10.087 -5.027 1.00 0.00 C ATOM 0 H ALA A 79 4.078 10.328 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 79 2.728 9.418 -4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.868 9.855 -6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.509 11.139 -4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.716 9.889 -4.523 1.00 0.00 H new ATOM 305 N VAL A 80 4.809 7.205 -3.677 1.00 0.00 N ATOM 306 CA VAL A 80 5.176 5.766 -3.762 1.00 0.00 C ATOM 307 C VAL A 80 3.992 4.941 -3.269 1.00 0.00 C ATOM 308 O VAL A 80 3.709 3.869 -3.769 1.00 0.00 O ATOM 309 CB VAL A 80 6.398 5.494 -2.883 1.00 0.00 C ATOM 310 CG1 VAL A 80 6.686 3.993 -2.857 1.00 0.00 C ATOM 311 CG2 VAL A 80 7.609 6.235 -3.453 1.00 0.00 C ATOM 0 H VAL A 80 5.206 7.707 -2.883 1.00 0.00 H new ATOM 0 HA VAL A 80 5.418 5.498 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 80 6.201 5.842 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.557 3.800 -2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.823 3.464 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.883 3.643 -3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.481 6.042 -2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.805 5.886 -4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.405 7.306 -3.471 1.00 0.00 H new ATOM 321 N GLN A 81 3.290 5.447 -2.294 1.00 0.00 N ATOM 322 CA GLN A 81 2.110 4.722 -1.758 1.00 0.00 C ATOM 323 C GLN A 81 1.069 4.582 -2.872 1.00 0.00 C ATOM 324 O GLN A 81 0.520 3.521 -3.097 1.00 0.00 O ATOM 325 CB GLN A 81 1.515 5.524 -0.597 1.00 0.00 C ATOM 326 CG GLN A 81 0.610 4.626 0.245 1.00 0.00 C ATOM 327 CD GLN A 81 1.297 4.343 1.579 1.00 0.00 C ATOM 328 OE1 GLN A 81 1.618 3.215 1.884 1.00 0.00 O ATOM 329 NE2 GLN A 81 1.546 5.331 2.390 1.00 0.00 N ATOM 0 H GLN A 81 3.487 6.340 -1.843 1.00 0.00 H new ATOM 0 HA GLN A 81 2.404 3.734 -1.403 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.314 5.932 0.022 1.00 0.00 H new ATOM 0 HB3 GLN A 81 0.946 6.370 -0.982 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.352 5.111 0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.410 3.693 -0.281 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.276 6.281 2.134 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.011 5.155 3.281 1.00 0.00 H new ATOM 338 N LYS A 82 0.793 5.652 -3.570 1.00 0.00 N ATOM 339 CA LYS A 82 -0.212 5.597 -4.671 1.00 0.00 C ATOM 340 C LYS A 82 0.238 4.601 -5.741 1.00 0.00 C ATOM 341 O LYS A 82 -0.520 3.759 -6.171 1.00 0.00 O ATOM 342 CB LYS A 82 -0.342 6.981 -5.316 1.00 0.00 C ATOM 343 CG LYS A 82 -1.502 7.754 -4.685 1.00 0.00 C ATOM 344 CD LYS A 82 -1.139 8.142 -3.252 1.00 0.00 C ATOM 345 CE LYS A 82 -2.331 8.842 -2.598 1.00 0.00 C ATOM 346 NZ LYS A 82 -3.104 9.580 -3.638 1.00 0.00 N ATOM 0 H LYS A 82 1.223 6.565 -3.424 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.170 5.284 -4.256 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.587 7.538 -5.189 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.507 6.876 -6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.718 8.647 -5.271 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.405 7.143 -4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.866 7.254 -2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.271 8.801 -3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.971 8.110 -2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.984 9.532 -1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.751 10.252 -3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.447 10.099 -4.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.654 8.905 -4.206 1.00 0.00 H new ATOM 360 N GLU A 83 1.459 4.703 -6.190 1.00 0.00 N ATOM 361 CA GLU A 83 1.935 3.767 -7.250 1.00 0.00 C ATOM 362 C GLU A 83 1.833 2.322 -6.755 1.00 0.00 C ATOM 363 O GLU A 83 1.504 1.423 -7.506 1.00 0.00 O ATOM 364 CB GLU A 83 3.387 4.092 -7.606 1.00 0.00 C ATOM 365 CG GLU A 83 3.423 5.316 -8.523 1.00 0.00 C ATOM 366 CD GLU A 83 3.440 4.861 -9.982 1.00 0.00 C ATOM 367 OE1 GLU A 83 2.966 3.769 -10.247 1.00 0.00 O ATOM 368 OE2 GLU A 83 3.924 5.614 -10.811 1.00 0.00 O ATOM 0 H GLU A 83 2.144 5.389 -5.872 1.00 0.00 H new ATOM 0 HA GLU A 83 1.311 3.882 -8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.961 4.286 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.851 3.239 -8.101 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.554 5.947 -8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.306 5.918 -8.309 1.00 0.00 H new ATOM 375 N LEU A 84 2.103 2.082 -5.504 1.00 0.00 N ATOM 376 CA LEU A 84 2.012 0.688 -4.988 1.00 0.00 C ATOM 377 C LEU A 84 0.540 0.318 -4.787 1.00 0.00 C ATOM 378 O LEU A 84 0.127 -0.788 -5.075 1.00 0.00 O ATOM 379 CB LEU A 84 2.782 0.576 -3.670 1.00 0.00 C ATOM 380 CG LEU A 84 4.274 0.789 -3.950 1.00 0.00 C ATOM 381 CD1 LEU A 84 5.053 0.838 -2.633 1.00 0.00 C ATOM 382 CD2 LEU A 84 4.804 -0.361 -4.812 1.00 0.00 C ATOM 0 H LEU A 84 2.381 2.785 -4.819 1.00 0.00 H new ATOM 0 HA LEU A 84 2.454 -0.003 -5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.422 1.319 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.619 -0.403 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 84 4.404 1.733 -4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.112 0.990 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.682 1.661 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.920 -0.101 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.865 -0.208 -5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.666 -1.305 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.259 -0.390 -5.756 1.00 0.00 H new ATOM 394 N LEU A 85 -0.264 1.235 -4.319 1.00 0.00 N ATOM 395 CA LEU A 85 -1.709 0.922 -4.132 1.00 0.00 C ATOM 396 C LEU A 85 -2.353 0.741 -5.509 1.00 0.00 C ATOM 397 O LEU A 85 -3.184 -0.124 -5.706 1.00 0.00 O ATOM 398 CB LEU A 85 -2.400 2.069 -3.381 1.00 0.00 C ATOM 399 CG LEU A 85 -2.052 1.994 -1.891 1.00 0.00 C ATOM 400 CD1 LEU A 85 -2.366 3.332 -1.220 1.00 0.00 C ATOM 401 CD2 LEU A 85 -2.878 0.890 -1.220 1.00 0.00 C ATOM 0 H LEU A 85 0.015 2.181 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.817 0.008 -3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.083 3.028 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.480 2.006 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.990 1.771 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.117 3.275 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.778 4.121 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.427 3.555 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.627 0.841 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.940 1.111 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.656 -0.068 -1.691 1.00 0.00 H new ATOM 413 N ALA A 86 -1.971 1.542 -6.468 1.00 0.00 N ATOM 414 CA ALA A 86 -2.557 1.402 -7.830 1.00 0.00 C ATOM 415 C ALA A 86 -2.125 0.060 -8.426 1.00 0.00 C ATOM 416 O ALA A 86 -2.856 -0.565 -9.168 1.00 0.00 O ATOM 417 CB ALA A 86 -2.061 2.542 -8.723 1.00 0.00 C ATOM 0 H ALA A 86 -1.280 2.285 -6.366 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.644 1.443 -7.767 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.491 2.437 -9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.364 3.498 -8.295 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.974 2.504 -8.791 1.00 0.00 H new ATOM 423 N GLU A 87 -0.948 -0.397 -8.090 1.00 0.00 N ATOM 424 CA GLU A 87 -0.481 -1.711 -8.620 1.00 0.00 C ATOM 425 C GLU A 87 -1.245 -2.824 -7.902 1.00 0.00 C ATOM 426 O GLU A 87 -1.617 -3.822 -8.494 1.00 0.00 O ATOM 427 CB GLU A 87 1.021 -1.867 -8.371 1.00 0.00 C ATOM 428 CG GLU A 87 1.504 -3.189 -8.971 1.00 0.00 C ATOM 429 CD GLU A 87 2.055 -4.084 -7.859 1.00 0.00 C ATOM 430 OE1 GLU A 87 2.924 -3.627 -7.134 1.00 0.00 O ATOM 431 OE2 GLU A 87 1.602 -5.211 -7.754 1.00 0.00 O ATOM 0 H GLU A 87 -0.291 0.081 -7.473 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.664 -1.766 -9.693 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.563 -1.033 -8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.227 -1.844 -7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.682 -3.690 -9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.276 -3.001 -9.717 1.00 0.00 H new ATOM 438 N TRP A 88 -1.509 -2.647 -6.637 1.00 0.00 N ATOM 439 CA TRP A 88 -2.277 -3.678 -5.888 1.00 0.00 C ATOM 440 C TRP A 88 -3.684 -3.743 -6.477 1.00 0.00 C ATOM 441 O TRP A 88 -4.324 -4.776 -6.492 1.00 0.00 O ATOM 442 CB TRP A 88 -2.380 -3.278 -4.416 1.00 0.00 C ATOM 443 CG TRP A 88 -1.018 -3.159 -3.805 1.00 0.00 C ATOM 444 CD1 TRP A 88 0.153 -3.480 -4.410 1.00 0.00 C ATOM 445 CD2 TRP A 88 -0.673 -2.689 -2.471 1.00 0.00 C ATOM 446 NE1 TRP A 88 1.189 -3.237 -3.524 1.00 0.00 N ATOM 447 CE2 TRP A 88 0.729 -2.748 -2.319 1.00 0.00 C ATOM 448 CE3 TRP A 88 -1.437 -2.222 -1.388 1.00 0.00 C ATOM 449 CZ2 TRP A 88 1.355 -2.358 -1.135 1.00 0.00 C ATOM 450 CZ3 TRP A 88 -0.813 -1.828 -0.193 1.00 0.00 C ATOM 451 CH2 TRP A 88 0.581 -1.896 -0.067 1.00 0.00 C ATOM 0 H TRP A 88 -1.226 -1.833 -6.091 1.00 0.00 H new ATOM 0 HA TRP A 88 -1.777 -4.643 -5.966 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -2.908 -2.329 -4.328 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -2.965 -4.020 -3.872 1.00 0.00 H new ATOM 0 HD1 TRP A 88 0.259 -3.861 -5.415 1.00 0.00 H new ATOM 0 HE1 TRP A 88 2.173 -3.400 -3.737 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -2.512 -2.166 -1.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 2.430 -2.413 -1.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -1.410 -1.471 0.633 1.00 0.00 H new ATOM 0 HH2 TRP A 88 1.056 -1.592 0.854 1.00 0.00 H new ATOM 462 N LYS A 89 -4.169 -2.629 -6.954 1.00 0.00 N ATOM 463 CA LYS A 89 -5.537 -2.594 -7.533 1.00 0.00 C ATOM 464 C LYS A 89 -5.543 -3.275 -8.905 1.00 0.00 C ATOM 465 O LYS A 89 -6.482 -3.964 -9.249 1.00 0.00 O ATOM 466 CB LYS A 89 -5.996 -1.143 -7.677 1.00 0.00 C ATOM 467 CG LYS A 89 -7.402 -1.111 -8.275 1.00 0.00 C ATOM 468 CD LYS A 89 -7.347 -0.508 -9.680 1.00 0.00 C ATOM 469 CE LYS A 89 -8.767 -0.349 -10.224 1.00 0.00 C ATOM 470 NZ LYS A 89 -8.709 0.003 -11.671 1.00 0.00 N ATOM 0 H LYS A 89 -3.672 -1.738 -6.966 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.219 -3.126 -6.869 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.991 -0.651 -6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.305 -0.593 -8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.814 -2.119 -8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.065 -0.522 -7.641 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.847 0.460 -9.652 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.763 -1.150 -10.340 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.326 -1.274 -10.086 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.295 0.428 -9.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.675 0.111 -12.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.190 0.897 -11.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.221 -0.753 -12.193 1.00 0.00 H new ATOM 484 N ARG A 90 -4.517 -3.104 -9.695 1.00 0.00 N ATOM 485 CA ARG A 90 -4.517 -3.768 -11.026 1.00 0.00 C ATOM 486 C ARG A 90 -4.594 -5.278 -10.814 1.00 0.00 C ATOM 487 O ARG A 90 -5.343 -5.970 -11.475 1.00 0.00 O ATOM 488 CB ARG A 90 -3.241 -3.411 -11.791 1.00 0.00 C ATOM 489 CG ARG A 90 -3.583 -2.481 -12.954 1.00 0.00 C ATOM 490 CD ARG A 90 -4.125 -1.158 -12.413 1.00 0.00 C ATOM 491 NE ARG A 90 -3.600 -0.037 -13.240 1.00 0.00 N ATOM 492 CZ ARG A 90 -4.083 1.166 -13.091 1.00 0.00 C ATOM 493 NH1 ARG A 90 -5.018 1.388 -12.208 1.00 0.00 N ATOM 494 NH2 ARG A 90 -3.625 2.147 -13.819 1.00 0.00 N ATOM 0 H ARG A 90 -3.693 -2.543 -9.480 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.373 -3.430 -11.609 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.528 -2.927 -11.123 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.764 -4.317 -12.165 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.696 -2.301 -13.561 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.323 -2.950 -13.602 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.215 -1.162 -12.435 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.827 -1.028 -11.372 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.863 -0.209 -13.923 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.371 0.621 -11.635 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.396 2.328 -12.091 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.890 1.973 -14.504 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.002 3.088 -13.703 1.00 0.00 H new ATOM 508 N THR A 91 -3.844 -5.795 -9.878 1.00 0.00 N ATOM 509 CA THR A 91 -3.902 -7.259 -9.609 1.00 0.00 C ATOM 510 C THR A 91 -5.099 -7.533 -8.699 1.00 0.00 C ATOM 511 O THR A 91 -5.833 -8.485 -8.881 1.00 0.00 O ATOM 512 CB THR A 91 -2.615 -7.699 -8.907 1.00 0.00 C ATOM 513 OG1 THR A 91 -2.644 -7.263 -7.556 1.00 0.00 O ATOM 514 CG2 THR A 91 -1.407 -7.087 -9.617 1.00 0.00 C ATOM 0 H THR A 91 -3.197 -5.269 -9.291 1.00 0.00 H new ATOM 0 HA THR A 91 -4.005 -7.811 -10.543 1.00 0.00 H new ATOM 0 HB THR A 91 -2.537 -8.786 -8.938 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.822 -7.545 -7.104 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.492 -7.402 -9.115 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.386 -7.422 -10.654 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.481 -6.000 -9.589 1.00 0.00 H new ATOM 522 N GLY A 92 -5.298 -6.695 -7.719 1.00 0.00 N ATOM 523 CA GLY A 92 -6.445 -6.887 -6.787 1.00 0.00 C ATOM 524 C GLY A 92 -5.944 -7.498 -5.477 1.00 0.00 C ATOM 525 O GLY A 92 -6.707 -8.042 -4.704 1.00 0.00 O ATOM 0 H GLY A 92 -4.713 -5.883 -7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -6.932 -5.932 -6.592 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.191 -7.538 -7.242 1.00 0.00 H new TER 529 GLY A 92