USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 384 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 Set 1.1: A 48 LYS NZ :NH3+ -155:sc= 0.294 (180deg=-0.0113) USER MOD Set 1.2: A 60 GLN : amide:sc= 0.251 K(o=0.55,f=-5.8!) USER MOD Set 2.1: A 8 CYS SG : rot -170:sc= 0.197 USER MOD Set 2.2: A 32 HIS : no HE2:sc= -0.748 K(o=-0.55,f=-4.8!) USER MOD Single : A 11 CYS SG : rot 180:sc= -2.27! USER MOD Single : A 12 SER OG : rot -37:sc= 0.0653 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0.0125 USER MOD Single : A 27 GLN : amide:sc= -0.0718 X(o=-0.072,f=-0.072) USER MOD Single : A 29 SER OG : rot -124:sc= 1.95 USER MOD Single : A 30 GLN : amide:sc= 0.941 K(o=0.94,f=-3.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.082 USER MOD Single : A 37 ASN : amide:sc= -0.75 K(o=-0.75,f=-3.8!) USER MOD Single : A 38 CYS SG : rot 180:sc= 0.652 USER MOD Single : A 40 LYS NZ :NH3+ -135:sc= 0.423 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.032 USER MOD Single : A 52 THR OG1 : rot 43:sc= 0.0128 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 150:sc= -0.586 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.558 -16.456 7.094 1.00 0.00 N ATOM 60 CA GLY A 7 -3.781 -16.070 7.757 1.00 0.00 C ATOM 61 C GLY A 7 -3.942 -14.557 7.627 1.00 0.00 C ATOM 62 O GLY A 7 -3.272 -13.921 6.813 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.633 -16.582 7.310 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.751 -16.359 8.807 1.00 0.00 H new ATOM 66 N CYS A 8 -4.848 -13.972 8.416 1.00 0.00 N ATOM 67 CA CYS A 8 -5.076 -12.530 8.394 1.00 0.00 C ATOM 68 C CYS A 8 -3.766 -11.815 8.729 1.00 0.00 C ATOM 69 O CYS A 8 -3.268 -12.027 9.829 1.00 0.00 O ATOM 70 CB CYS A 8 -6.137 -12.101 9.427 1.00 0.00 C ATOM 71 SG CYS A 8 -6.767 -10.426 9.151 1.00 0.00 S ATOM 0 H CYS A 8 -5.435 -14.479 9.078 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.433 -12.264 7.399 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.969 -12.804 9.397 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.706 -12.160 10.426 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.490 -10.061 10.168 1.00 0.00 H new ATOM 76 N VAL A 9 -3.290 -10.893 7.892 1.00 0.00 N ATOM 77 CA VAL A 9 -2.049 -10.131 8.102 1.00 0.00 C ATOM 78 C VAL A 9 -2.065 -9.353 9.436 1.00 0.00 C ATOM 79 O VAL A 9 -1.025 -8.928 9.940 1.00 0.00 O ATOM 80 CB VAL A 9 -1.837 -9.215 6.872 1.00 0.00 C ATOM 81 CG1 VAL A 9 -0.647 -8.255 7.002 1.00 0.00 C ATOM 82 CG2 VAL A 9 -1.634 -10.034 5.587 1.00 0.00 C ATOM 0 H VAL A 9 -3.766 -10.646 7.025 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.203 -10.813 8.189 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.751 -8.623 6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.568 -7.649 6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.797 -7.604 7.864 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.270 -8.829 7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.488 -9.358 4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.757 -10.672 5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.513 -10.653 5.408 1.00 0.00 H new ATOM 92 N ALA A 10 -3.255 -9.178 10.020 1.00 0.00 N ATOM 93 CA ALA A 10 -3.531 -8.471 11.260 1.00 0.00 C ATOM 94 C ALA A 10 -3.972 -9.360 12.432 1.00 0.00 C ATOM 95 O ALA A 10 -4.566 -8.843 13.375 1.00 0.00 O ATOM 96 CB ALA A 10 -4.637 -7.475 10.948 1.00 0.00 C ATOM 0 H ALA A 10 -4.106 -9.556 9.604 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.602 -8.009 11.592 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.886 -6.913 11.849 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.299 -6.787 10.173 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.520 -8.010 10.598 1.00 0.00 H new ATOM 102 N CYS A 11 -3.897 -10.688 12.327 1.00 0.00 N ATOM 103 CA CYS A 11 -4.288 -11.558 13.445 1.00 0.00 C ATOM 104 C CYS A 11 -3.735 -12.984 13.359 1.00 0.00 C ATOM 105 O CYS A 11 -3.998 -13.802 14.242 1.00 0.00 O ATOM 106 CB CYS A 11 -5.819 -11.610 13.619 1.00 0.00 C ATOM 107 SG CYS A 11 -6.638 -12.903 12.669 1.00 0.00 S ATOM 0 H CYS A 11 -3.575 -11.182 11.495 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.833 -11.095 14.320 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -6.047 -11.754 14.675 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.237 -10.645 13.331 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.918 -12.859 12.890 1.00 0.00 H new ATOM 112 N SER A 12 -3.065 -13.322 12.257 1.00 0.00 N ATOM 113 CA SER A 12 -2.471 -14.619 11.972 1.00 0.00 C ATOM 114 C SER A 12 -3.496 -15.769 11.898 1.00 0.00 C ATOM 115 O SER A 12 -3.084 -16.888 11.634 1.00 0.00 O ATOM 116 CB SER A 12 -1.328 -14.875 12.983 1.00 0.00 C ATOM 117 OG SER A 12 -0.407 -15.857 12.541 1.00 0.00 O ATOM 0 H SER A 12 -2.916 -12.656 11.499 1.00 0.00 H new ATOM 0 HA SER A 12 -2.052 -14.594 10.966 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.796 -13.941 13.165 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.756 -15.189 13.935 1.00 0.00 H new ATOM 0 HG SER A 12 -0.888 -16.566 12.066 1.00 0.00 H new ATOM 123 N LYS A 13 -4.815 -15.570 12.071 1.00 0.00 N ATOM 124 CA LYS A 13 -5.771 -16.681 12.010 1.00 0.00 C ATOM 125 C LYS A 13 -6.159 -17.029 10.583 1.00 0.00 C ATOM 126 O LYS A 13 -6.108 -16.147 9.718 1.00 0.00 O ATOM 127 CB LYS A 13 -7.022 -16.418 12.856 1.00 0.00 C ATOM 128 CG LYS A 13 -6.685 -16.674 14.329 1.00 0.00 C ATOM 129 CD LYS A 13 -7.914 -16.730 15.232 1.00 0.00 C ATOM 130 CE LYS A 13 -8.857 -17.888 14.891 1.00 0.00 C ATOM 131 NZ LYS A 13 -9.917 -18.042 15.902 1.00 0.00 N ATOM 0 H LYS A 13 -5.236 -14.659 12.252 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.255 -17.542 12.435 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.361 -15.391 12.719 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.837 -17.068 12.537 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.140 -17.614 14.411 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.019 -15.888 14.683 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.592 -16.825 16.269 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.459 -15.790 15.152 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.308 -17.715 13.914 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.286 -18.813 14.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.536 -18.835 15.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.487 -18.232 16.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.478 -17.168 15.953 1.00 0.00 H new ATOM 145 N PRO A 14 -6.610 -18.270 10.346 1.00 0.00 N ATOM 146 CA PRO A 14 -6.995 -18.717 9.025 1.00 0.00 C ATOM 147 C PRO A 14 -8.333 -18.090 8.665 1.00 0.00 C ATOM 148 O PRO A 14 -9.292 -18.148 9.440 1.00 0.00 O ATOM 149 CB PRO A 14 -7.057 -20.242 9.097 1.00 0.00 C ATOM 150 CG PRO A 14 -7.320 -20.537 10.572 1.00 0.00 C ATOM 151 CD PRO A 14 -6.722 -19.350 11.322 1.00 0.00 C ATOM 0 HA PRO A 14 -6.292 -18.419 8.247 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.851 -20.639 8.464 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.124 -20.695 8.760 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.387 -20.633 10.772 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.853 -21.473 10.877 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.358 -19.056 12.157 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.746 -19.603 11.737 1.00 0.00 H new ATOM 159 N ILE A 15 -8.364 -17.366 7.552 1.00 0.00 N ATOM 160 CA ILE A 15 -9.568 -16.722 7.039 1.00 0.00 C ATOM 161 C ILE A 15 -10.404 -17.841 6.403 1.00 0.00 C ATOM 162 O ILE A 15 -9.859 -18.869 5.985 1.00 0.00 O ATOM 163 CB ILE A 15 -9.207 -15.591 6.035 1.00 0.00 C ATOM 164 CG1 ILE A 15 -8.167 -14.629 6.669 1.00 0.00 C ATOM 165 CG2 ILE A 15 -10.473 -14.846 5.553 1.00 0.00 C ATOM 166 CD1 ILE A 15 -8.152 -13.190 6.133 1.00 0.00 C ATOM 0 H ILE A 15 -7.540 -17.207 6.971 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.138 -16.229 7.827 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.753 -16.037 5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.347 -14.591 7.743 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.175 -15.057 6.527 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.189 -14.061 4.852 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -11.143 -15.549 5.058 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.982 -14.402 6.409 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.385 -12.616 6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.935 -13.202 5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.126 -12.729 6.300 1.00 0.00 H new ATOM 178 N SER A 16 -11.727 -17.688 6.389 1.00 0.00 N ATOM 179 CA SER A 16 -12.597 -18.677 5.776 1.00 0.00 C ATOM 180 C SER A 16 -12.290 -18.643 4.277 1.00 0.00 C ATOM 181 O SER A 16 -12.081 -17.559 3.723 1.00 0.00 O ATOM 182 CB SER A 16 -14.059 -18.331 6.082 1.00 0.00 C ATOM 183 OG SER A 16 -14.901 -19.463 6.123 1.00 0.00 O ATOM 0 H SER A 16 -12.214 -16.889 6.795 1.00 0.00 H new ATOM 0 HA SER A 16 -12.430 -19.682 6.163 1.00 0.00 H new ATOM 0 HB2 SER A 16 -14.110 -17.813 7.040 1.00 0.00 H new ATOM 0 HB3 SER A 16 -14.428 -17.639 5.325 1.00 0.00 H new ATOM 0 HG SER A 16 -15.818 -19.181 6.323 1.00 0.00 H new ATOM 246 N LYS A 22 -16.358 -12.890 2.768 1.00 0.00 N ATOM 247 CA LYS A 22 -15.988 -11.515 2.468 1.00 0.00 C ATOM 248 C LYS A 22 -14.606 -11.198 3.056 1.00 0.00 C ATOM 249 O LYS A 22 -14.466 -11.127 4.284 1.00 0.00 O ATOM 250 CB LYS A 22 -17.088 -10.615 3.053 1.00 0.00 C ATOM 251 CG LYS A 22 -16.851 -9.124 2.827 1.00 0.00 C ATOM 252 CD LYS A 22 -16.937 -8.721 1.350 1.00 0.00 C ATOM 253 CE LYS A 22 -17.370 -7.258 1.237 1.00 0.00 C ATOM 254 NZ LYS A 22 -18.841 -7.124 1.285 1.00 0.00 N ATOM 0 HA LYS A 22 -15.911 -11.346 1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -18.045 -10.892 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.166 -10.802 4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.585 -8.555 3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -15.868 -8.855 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.969 -8.862 0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.649 -9.362 0.829 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.924 -6.682 2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.995 -6.837 0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.101 -6.120 1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.264 -7.654 0.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.195 -7.503 2.186 1.00 0.00 H new ATOM 268 N PHE A 23 -13.586 -11.010 2.222 1.00 0.00 N ATOM 269 CA PHE A 23 -12.216 -10.678 2.615 1.00 0.00 C ATOM 270 C PHE A 23 -11.679 -9.599 1.672 1.00 0.00 C ATOM 271 O PHE A 23 -12.281 -9.334 0.628 1.00 0.00 O ATOM 272 CB PHE A 23 -11.309 -11.924 2.652 1.00 0.00 C ATOM 273 CG PHE A 23 -11.190 -12.726 1.363 1.00 0.00 C ATOM 274 CD1 PHE A 23 -10.524 -12.203 0.233 1.00 0.00 C ATOM 275 CD2 PHE A 23 -11.729 -14.025 1.298 1.00 0.00 C ATOM 276 CE1 PHE A 23 -10.457 -12.949 -0.959 1.00 0.00 C ATOM 277 CE2 PHE A 23 -11.661 -14.770 0.109 1.00 0.00 C ATOM 278 CZ PHE A 23 -11.036 -14.228 -1.024 1.00 0.00 C ATOM 0 H PHE A 23 -13.695 -11.088 1.211 1.00 0.00 H new ATOM 0 HA PHE A 23 -12.220 -10.288 3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.309 -11.607 2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.677 -12.589 3.433 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.064 -11.227 0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -12.199 -14.453 2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.960 -12.538 -1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.090 -15.760 0.067 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.000 -14.792 -1.944 1.00 0.00 H new ATOM 288 N ILE A 24 -10.582 -8.944 2.046 1.00 0.00 N ATOM 289 CA ILE A 24 -9.927 -7.901 1.267 1.00 0.00 C ATOM 290 C ILE A 24 -8.481 -8.341 1.051 1.00 0.00 C ATOM 291 O ILE A 24 -7.858 -8.892 1.961 1.00 0.00 O ATOM 292 CB ILE A 24 -9.981 -6.534 1.989 1.00 0.00 C ATOM 293 CG1 ILE A 24 -11.396 -6.073 2.404 1.00 0.00 C ATOM 294 CG2 ILE A 24 -9.320 -5.457 1.109 1.00 0.00 C ATOM 295 CD1 ILE A 24 -12.354 -5.796 1.237 1.00 0.00 C ATOM 0 H ILE A 24 -10.110 -9.133 2.930 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.440 -7.768 0.314 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.434 -6.672 2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.838 -6.837 3.044 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.306 -5.167 3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.359 -4.495 1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.280 -5.727 0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.852 -5.386 0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.321 -5.478 1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.941 -5.009 0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.481 -6.704 0.647 1.00 0.00 H new ATOM 307 N CYS A 25 -7.967 -8.089 -0.147 1.00 0.00 N ATOM 308 CA CYS A 25 -6.622 -8.391 -0.594 1.00 0.00 C ATOM 309 C CYS A 25 -6.089 -7.112 -1.245 1.00 0.00 C ATOM 310 O CYS A 25 -6.805 -6.462 -2.012 1.00 0.00 O ATOM 311 CB CYS A 25 -6.652 -9.595 -1.553 1.00 0.00 C ATOM 312 SG CYS A 25 -8.100 -9.541 -2.664 1.00 0.00 S ATOM 0 H CYS A 25 -8.519 -7.638 -0.877 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.960 -8.680 0.223 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.738 -9.609 -2.147 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.671 -10.519 -0.976 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.080 -10.574 -3.454 1.00 0.00 H new ATOM 318 N PHE A 26 -4.868 -6.713 -0.900 1.00 0.00 N ATOM 319 CA PHE A 26 -4.184 -5.534 -1.410 1.00 0.00 C ATOM 320 C PHE A 26 -2.690 -5.841 -1.506 1.00 0.00 C ATOM 321 O PHE A 26 -2.004 -5.839 -0.484 1.00 0.00 O ATOM 322 CB PHE A 26 -4.482 -4.312 -0.526 1.00 0.00 C ATOM 323 CG PHE A 26 -3.585 -3.123 -0.815 1.00 0.00 C ATOM 324 CD1 PHE A 26 -3.703 -2.430 -2.034 1.00 0.00 C ATOM 325 CD2 PHE A 26 -2.589 -2.744 0.110 1.00 0.00 C ATOM 326 CE1 PHE A 26 -2.830 -1.369 -2.323 1.00 0.00 C ATOM 327 CE2 PHE A 26 -1.724 -1.676 -0.180 1.00 0.00 C ATOM 328 CZ PHE A 26 -1.843 -0.986 -1.397 1.00 0.00 C ATOM 0 H PHE A 26 -4.304 -7.229 -0.225 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.547 -5.284 -2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.521 -4.016 -0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.371 -4.595 0.521 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.464 -2.714 -2.746 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.491 -3.277 1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.917 -0.843 -3.263 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.967 -1.385 0.533 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.179 -0.164 -1.621 1.00 0.00 H new ATOM 338 N GLN A 27 -2.187 -6.106 -2.713 1.00 0.00 N ATOM 339 CA GLN A 27 -0.784 -6.425 -2.973 1.00 0.00 C ATOM 340 C GLN A 27 -0.368 -7.652 -2.148 1.00 0.00 C ATOM 341 O GLN A 27 0.492 -7.594 -1.263 1.00 0.00 O ATOM 342 CB GLN A 27 0.083 -5.175 -2.741 1.00 0.00 C ATOM 343 CG GLN A 27 1.371 -5.108 -3.577 1.00 0.00 C ATOM 344 CD GLN A 27 2.407 -6.177 -3.228 1.00 0.00 C ATOM 345 OE1 GLN A 27 3.227 -6.002 -2.323 1.00 0.00 O ATOM 346 NE2 GLN A 27 2.405 -7.293 -3.938 1.00 0.00 N ATOM 0 H GLN A 27 -2.759 -6.104 -3.557 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.633 -6.704 -4.016 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.517 -4.291 -2.956 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.351 -5.129 -1.685 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.111 -5.202 -4.631 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.823 -4.125 -3.447 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.720 -7.422 -4.683 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.088 -8.024 -3.741 1.00 0.00 H new ATOM 355 N ASP A 28 -1.002 -8.774 -2.482 1.00 0.00 N ATOM 356 CA ASP A 28 -0.857 -10.105 -1.903 1.00 0.00 C ATOM 357 C ASP A 28 -0.772 -10.093 -0.376 1.00 0.00 C ATOM 358 O ASP A 28 0.258 -10.377 0.252 1.00 0.00 O ATOM 359 CB ASP A 28 0.229 -10.945 -2.578 1.00 0.00 C ATOM 360 CG ASP A 28 0.240 -12.382 -2.036 1.00 0.00 C ATOM 361 OD1 ASP A 28 -0.766 -12.803 -1.419 1.00 0.00 O ATOM 362 OD2 ASP A 28 1.257 -13.072 -2.281 1.00 0.00 O ATOM 0 H ASP A 28 -1.692 -8.773 -3.233 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.789 -10.624 -2.127 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.062 -10.961 -3.655 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.203 -10.484 -2.413 1.00 0.00 H new ATOM 367 N SER A 29 -1.906 -9.714 0.196 1.00 0.00 N ATOM 368 CA SER A 29 -2.255 -9.608 1.602 1.00 0.00 C ATOM 369 C SER A 29 -3.645 -10.234 1.766 1.00 0.00 C ATOM 370 O SER A 29 -4.315 -10.503 0.760 1.00 0.00 O ATOM 371 CB SER A 29 -2.242 -8.143 2.037 1.00 0.00 C ATOM 372 OG SER A 29 -3.123 -7.430 1.208 1.00 0.00 O ATOM 0 H SER A 29 -2.697 -9.441 -0.387 1.00 0.00 H new ATOM 0 HA SER A 29 -1.535 -10.130 2.233 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.546 -8.054 3.080 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.235 -7.733 1.962 1.00 0.00 H new ATOM 0 HG SER A 29 -2.643 -6.692 0.778 1.00 0.00 H new ATOM 378 N GLN A 30 -4.057 -10.518 3.000 1.00 0.00 N ATOM 379 CA GLN A 30 -5.356 -11.086 3.316 1.00 0.00 C ATOM 380 C GLN A 30 -5.837 -10.444 4.612 1.00 0.00 C ATOM 381 O GLN A 30 -5.200 -10.589 5.661 1.00 0.00 O ATOM 382 CB GLN A 30 -5.281 -12.620 3.431 1.00 0.00 C ATOM 383 CG GLN A 30 -5.690 -13.325 2.128 1.00 0.00 C ATOM 384 CD GLN A 30 -7.146 -13.071 1.727 1.00 0.00 C ATOM 385 OE1 GLN A 30 -7.999 -12.779 2.559 1.00 0.00 O ATOM 386 NE2 GLN A 30 -7.465 -13.174 0.448 1.00 0.00 N ATOM 0 H GLN A 30 -3.479 -10.354 3.824 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.066 -10.878 2.516 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.265 -12.913 3.696 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.930 -12.953 4.241 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.036 -12.991 1.323 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.534 -14.398 2.240 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.750 -13.417 -0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.426 -13.010 0.147 1.00 0.00 H new ATOM 395 N TRP A 31 -6.961 -9.735 4.547 1.00 0.00 N ATOM 396 CA TRP A 31 -7.567 -9.059 5.677 1.00 0.00 C ATOM 397 C TRP A 31 -9.052 -9.383 5.748 1.00 0.00 C ATOM 398 O TRP A 31 -9.778 -9.339 4.756 1.00 0.00 O ATOM 399 CB TRP A 31 -7.359 -7.539 5.590 1.00 0.00 C ATOM 400 CG TRP A 31 -6.020 -7.045 6.046 1.00 0.00 C ATOM 401 CD1 TRP A 31 -5.595 -7.017 7.330 1.00 0.00 C ATOM 402 CD2 TRP A 31 -4.946 -6.440 5.263 1.00 0.00 C ATOM 403 NE1 TRP A 31 -4.314 -6.510 7.387 1.00 0.00 N ATOM 404 CE2 TRP A 31 -3.867 -6.130 6.144 1.00 0.00 C ATOM 405 CE3 TRP A 31 -4.777 -6.095 3.906 1.00 0.00 C ATOM 406 CZ2 TRP A 31 -2.666 -5.562 5.701 1.00 0.00 C ATOM 407 CZ3 TRP A 31 -3.602 -5.457 3.465 1.00 0.00 C ATOM 408 CH2 TRP A 31 -2.537 -5.215 4.349 1.00 0.00 C ATOM 0 H TRP A 31 -7.485 -9.615 3.680 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.081 -9.415 6.585 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.509 -7.228 4.556 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -8.130 -7.050 6.185 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.172 -7.343 8.183 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -3.767 -6.427 8.244 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.559 -6.323 3.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.852 -5.394 6.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.518 -5.149 2.433 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.624 -4.764 3.989 1.00 0.00 H new ATOM 419 N HIS A 32 -9.503 -9.757 6.948 1.00 0.00 N ATOM 420 CA HIS A 32 -10.912 -10.045 7.197 1.00 0.00 C ATOM 421 C HIS A 32 -11.646 -8.710 7.031 1.00 0.00 C ATOM 422 O HIS A 32 -11.041 -7.673 7.304 1.00 0.00 O ATOM 423 CB HIS A 32 -11.097 -10.511 8.647 1.00 0.00 C ATOM 424 CG HIS A 32 -10.641 -11.907 8.962 1.00 0.00 C ATOM 425 ND1 HIS A 32 -9.468 -12.246 9.656 1.00 0.00 N ATOM 426 CD2 HIS A 32 -11.393 -13.023 8.776 1.00 0.00 C ATOM 427 CE1 HIS A 32 -9.529 -13.582 9.824 1.00 0.00 C ATOM 428 NE2 HIS A 32 -10.677 -14.059 9.325 1.00 0.00 N ATOM 0 H HIS A 32 -8.905 -9.867 7.767 1.00 0.00 H new ATOM 0 HA HIS A 32 -11.282 -10.818 6.524 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.561 -9.821 9.299 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.154 -10.432 8.899 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -8.728 -11.616 9.966 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.358 -13.083 8.294 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.763 -14.181 10.293 1.00 0.00 H new ATOM 436 N SER A 33 -12.938 -8.716 6.701 1.00 0.00 N ATOM 437 CA SER A 33 -13.714 -7.490 6.523 1.00 0.00 C ATOM 438 C SER A 33 -13.595 -6.571 7.750 1.00 0.00 C ATOM 439 O SER A 33 -13.354 -5.370 7.647 1.00 0.00 O ATOM 440 CB SER A 33 -15.169 -7.869 6.205 1.00 0.00 C ATOM 441 OG SER A 33 -15.773 -8.656 7.229 1.00 0.00 O ATOM 0 H SER A 33 -13.475 -9.570 6.550 1.00 0.00 H new ATOM 0 HA SER A 33 -13.316 -6.917 5.685 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.753 -6.960 6.060 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.199 -8.420 5.265 1.00 0.00 H new ATOM 0 HG SER A 33 -16.696 -8.867 6.977 1.00 0.00 H new ATOM 447 N GLU A 34 -13.681 -7.151 8.943 1.00 0.00 N ATOM 448 CA GLU A 34 -13.588 -6.436 10.206 1.00 0.00 C ATOM 449 C GLU A 34 -12.163 -6.035 10.599 1.00 0.00 C ATOM 450 O GLU A 34 -11.988 -5.401 11.641 1.00 0.00 O ATOM 451 CB GLU A 34 -14.239 -7.307 11.294 1.00 0.00 C ATOM 452 CG GLU A 34 -13.438 -8.593 11.540 1.00 0.00 C ATOM 453 CD GLU A 34 -14.129 -9.605 12.449 1.00 0.00 C ATOM 454 OE1 GLU A 34 -15.276 -10.017 12.165 1.00 0.00 O ATOM 455 OE2 GLU A 34 -13.415 -10.170 13.307 1.00 0.00 O ATOM 0 H GLU A 34 -13.821 -8.155 9.058 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.115 -5.489 10.092 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.311 -6.739 12.222 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.256 -7.562 10.997 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.232 -9.067 10.580 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.475 -8.328 11.978 1.00 0.00 H new ATOM 462 N CYS A 35 -11.154 -6.408 9.811 1.00 0.00 N ATOM 463 CA CYS A 35 -9.746 -6.143 10.064 1.00 0.00 C ATOM 464 C CYS A 35 -9.045 -5.338 8.965 1.00 0.00 C ATOM 465 O CYS A 35 -7.823 -5.412 8.876 1.00 0.00 O ATOM 466 CB CYS A 35 -9.065 -7.459 10.473 1.00 0.00 C ATOM 467 SG CYS A 35 -9.625 -7.939 12.116 1.00 0.00 S ATOM 0 H CYS A 35 -11.307 -6.924 8.945 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.656 -5.454 10.904 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -9.302 -8.242 9.753 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.982 -7.338 10.467 1.00 0.00 H new ATOM 0 HG CYS A 35 -9.051 -9.053 12.462 1.00 0.00 H new ATOM 472 N PHE A 36 -9.787 -4.636 8.102 1.00 0.00 N ATOM 473 CA PHE A 36 -9.235 -3.772 7.057 1.00 0.00 C ATOM 474 C PHE A 36 -9.675 -2.400 7.579 1.00 0.00 C ATOM 475 O PHE A 36 -10.838 -2.023 7.402 1.00 0.00 O ATOM 476 CB PHE A 36 -9.815 -4.168 5.690 1.00 0.00 C ATOM 477 CG PHE A 36 -9.210 -3.453 4.493 1.00 0.00 C ATOM 478 CD1 PHE A 36 -7.893 -3.750 4.088 1.00 0.00 C ATOM 479 CD2 PHE A 36 -9.985 -2.556 3.730 1.00 0.00 C ATOM 480 CE1 PHE A 36 -7.366 -3.179 2.914 1.00 0.00 C ATOM 481 CE2 PHE A 36 -9.458 -1.989 2.555 1.00 0.00 C ATOM 482 CZ PHE A 36 -8.156 -2.315 2.134 1.00 0.00 C ATOM 0 H PHE A 36 -10.807 -4.654 8.112 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.160 -3.821 6.887 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.683 -5.242 5.555 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.888 -3.978 5.701 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.286 -4.418 4.681 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.986 -2.303 4.048 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.354 -3.405 2.612 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.055 -1.301 1.974 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.764 -1.904 1.215 1.00 0.00 H new ATOM 492 N ASN A 37 -8.770 -1.655 8.231 1.00 0.00 N ATOM 493 CA ASN A 37 -9.099 -0.361 8.836 1.00 0.00 C ATOM 494 C ASN A 37 -7.964 0.671 8.700 1.00 0.00 C ATOM 495 O ASN A 37 -6.806 0.293 8.542 1.00 0.00 O ATOM 496 CB ASN A 37 -9.395 -0.607 10.340 1.00 0.00 C ATOM 497 CG ASN A 37 -10.508 -1.629 10.616 1.00 0.00 C ATOM 498 OD1 ASN A 37 -11.680 -1.377 10.379 1.00 0.00 O ATOM 499 ND2 ASN A 37 -10.204 -2.804 11.143 1.00 0.00 N ATOM 0 H ASN A 37 -7.796 -1.933 8.352 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.961 0.054 8.313 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.480 -0.946 10.826 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.668 0.341 10.802 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.942 -3.479 11.344 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.232 -3.035 11.349 1.00 0.00 H new ATOM 506 N CYS A 38 -8.256 1.980 8.841 1.00 0.00 N ATOM 507 CA CYS A 38 -7.232 3.046 8.732 1.00 0.00 C ATOM 508 C CYS A 38 -6.123 2.859 9.757 1.00 0.00 C ATOM 509 O CYS A 38 -6.418 2.951 10.949 1.00 0.00 O ATOM 510 CB CYS A 38 -7.767 4.490 8.970 1.00 0.00 C ATOM 511 SG CYS A 38 -6.526 5.734 8.527 1.00 0.00 S ATOM 0 H CYS A 38 -9.196 2.328 9.031 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.883 2.949 7.704 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.670 4.647 8.380 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.046 4.609 10.017 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.009 6.923 8.737 1.00 0.00 H new ATOM 516 N GLY A 39 -4.866 2.782 9.324 1.00 0.00 N ATOM 517 CA GLY A 39 -3.753 2.618 10.254 1.00 0.00 C ATOM 518 C GLY A 39 -3.578 3.807 11.210 1.00 0.00 C ATOM 519 O GLY A 39 -3.153 3.623 12.348 1.00 0.00 O ATOM 0 H GLY A 39 -4.595 2.830 8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.908 1.711 10.838 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.833 2.479 9.687 1.00 0.00 H new ATOM 523 N LYS A 40 -3.978 5.023 10.802 1.00 0.00 N ATOM 524 CA LYS A 40 -3.826 6.219 11.636 1.00 0.00 C ATOM 525 C LYS A 40 -4.859 6.389 12.736 1.00 0.00 C ATOM 526 O LYS A 40 -4.576 7.114 13.679 1.00 0.00 O ATOM 527 CB LYS A 40 -3.834 7.501 10.778 1.00 0.00 C ATOM 528 CG LYS A 40 -2.462 7.747 10.157 1.00 0.00 C ATOM 529 CD LYS A 40 -2.390 9.110 9.449 1.00 0.00 C ATOM 530 CE LYS A 40 -0.976 9.607 9.102 1.00 0.00 C ATOM 531 NZ LYS A 40 -0.237 8.763 8.139 1.00 0.00 N ATOM 0 H LYS A 40 -4.410 5.200 9.895 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.864 6.064 12.125 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.583 7.413 9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.117 8.354 11.394 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.698 7.700 10.933 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.239 6.954 9.443 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.971 9.052 8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.871 9.854 10.083 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.051 10.616 8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.395 9.676 10.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.737 8.624 8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.708 7.840 8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.219 9.230 7.210 1.00 0.00 H new ATOM 545 N CYS A 41 -6.084 5.881 12.577 1.00 0.00 N ATOM 546 CA CYS A 41 -7.089 6.065 13.614 1.00 0.00 C ATOM 547 C CYS A 41 -8.008 4.884 13.905 1.00 0.00 C ATOM 548 O CYS A 41 -8.782 5.005 14.845 1.00 0.00 O ATOM 549 CB CYS A 41 -7.988 7.238 13.224 1.00 0.00 C ATOM 550 SG CYS A 41 -9.473 6.824 12.269 1.00 0.00 S ATOM 0 H CYS A 41 -6.394 5.353 11.761 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.504 6.221 14.521 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.298 7.750 14.135 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.395 7.947 12.646 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.140 7.910 12.011 1.00 0.00 H new ATOM 555 N SER A 42 -8.014 3.829 13.077 1.00 0.00 N ATOM 556 CA SER A 42 -8.885 2.670 13.285 1.00 0.00 C ATOM 557 C SER A 42 -10.346 3.036 12.956 1.00 0.00 C ATOM 558 O SER A 42 -11.093 3.586 13.760 1.00 0.00 O ATOM 559 CB SER A 42 -8.676 2.078 14.695 1.00 0.00 C ATOM 560 OG SER A 42 -9.252 0.800 14.820 1.00 0.00 O ATOM 0 H SER A 42 -7.419 3.758 12.252 1.00 0.00 H new ATOM 0 HA SER A 42 -8.616 1.871 12.594 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.609 2.017 14.908 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.112 2.747 15.437 1.00 0.00 H new ATOM 0 HG SER A 42 -9.097 0.458 15.725 1.00 0.00 H new ATOM 566 N VAL A 43 -10.715 2.885 11.685 1.00 0.00 N ATOM 567 CA VAL A 43 -12.029 3.117 11.111 1.00 0.00 C ATOM 568 C VAL A 43 -12.133 2.122 9.962 1.00 0.00 C ATOM 569 O VAL A 43 -11.111 1.914 9.291 1.00 0.00 O ATOM 570 CB VAL A 43 -12.145 4.568 10.624 1.00 0.00 C ATOM 571 CG1 VAL A 43 -11.217 4.932 9.455 1.00 0.00 C ATOM 572 CG2 VAL A 43 -13.572 4.937 10.230 1.00 0.00 C ATOM 0 H VAL A 43 -10.047 2.573 10.980 1.00 0.00 H new ATOM 0 HA VAL A 43 -12.837 2.976 11.829 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.829 5.145 11.493 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.370 5.976 9.181 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.179 4.784 9.754 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.442 4.295 8.600 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -13.600 5.973 9.893 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.907 4.284 9.424 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.230 4.818 11.091 1.00 0.00 H new ATOM 582 N SER A 44 -13.308 1.547 9.717 1.00 0.00 N ATOM 583 CA SER A 44 -13.463 0.601 8.625 1.00 0.00 C ATOM 584 C SER A 44 -13.257 1.311 7.291 1.00 0.00 C ATOM 585 O SER A 44 -13.652 2.465 7.090 1.00 0.00 O ATOM 586 CB SER A 44 -14.826 -0.100 8.690 1.00 0.00 C ATOM 587 OG SER A 44 -14.959 -1.019 7.614 1.00 0.00 O ATOM 0 H SER A 44 -14.156 1.720 10.256 1.00 0.00 H new ATOM 0 HA SER A 44 -12.703 -0.174 8.720 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.928 -0.624 9.640 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.626 0.640 8.647 1.00 0.00 H new ATOM 0 HG SER A 44 -15.832 -1.461 7.667 1.00 0.00 H new ATOM 593 N LEU A 45 -12.622 0.585 6.376 1.00 0.00 N ATOM 594 CA LEU A 45 -12.320 0.998 5.014 1.00 0.00 C ATOM 595 C LEU A 45 -12.982 0.032 4.023 1.00 0.00 C ATOM 596 O LEU A 45 -12.635 0.045 2.849 1.00 0.00 O ATOM 597 CB LEU A 45 -10.791 1.080 4.825 1.00 0.00 C ATOM 598 CG LEU A 45 -10.102 2.134 5.712 1.00 0.00 C ATOM 599 CD1 LEU A 45 -8.593 2.165 5.476 1.00 0.00 C ATOM 600 CD2 LEU A 45 -10.618 3.550 5.447 1.00 0.00 C ATOM 0 H LEU A 45 -12.287 -0.357 6.578 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.726 1.991 4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.357 0.103 5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.577 1.304 3.780 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.332 1.838 6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.140 2.920 6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.168 1.188 5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.393 2.409 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.100 4.254 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.434 3.815 4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.689 3.591 5.648 1.00 0.00 H new ATOM 612 N VAL A 46 -13.908 -0.825 4.471 1.00 0.00 N ATOM 613 CA VAL A 46 -14.605 -1.771 3.603 1.00 0.00 C ATOM 614 C VAL A 46 -15.677 -1.017 2.814 1.00 0.00 C ATOM 615 O VAL A 46 -15.571 -0.908 1.593 1.00 0.00 O ATOM 616 CB VAL A 46 -15.167 -2.948 4.429 1.00 0.00 C ATOM 617 CG1 VAL A 46 -16.061 -3.892 3.609 1.00 0.00 C ATOM 618 CG2 VAL A 46 -14.006 -3.768 5.005 1.00 0.00 C ATOM 0 H VAL A 46 -14.193 -0.879 5.449 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.916 -2.214 2.884 1.00 0.00 H new ATOM 0 HB VAL A 46 -15.780 -2.509 5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -16.423 -4.697 4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -16.909 -3.335 3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.485 -4.314 2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.402 -4.599 5.588 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -13.395 -4.155 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.395 -3.133 5.647 1.00 0.00 H new ATOM 628 N GLY A 47 -16.676 -0.449 3.496 1.00 0.00 N ATOM 629 CA GLY A 47 -17.771 0.284 2.869 1.00 0.00 C ATOM 630 C GLY A 47 -17.410 1.674 2.350 1.00 0.00 C ATOM 631 O GLY A 47 -18.318 2.460 2.081 1.00 0.00 O ATOM 0 H GLY A 47 -16.744 -0.488 4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.155 -0.308 2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.581 0.383 3.591 1.00 0.00 H new ATOM 635 N LYS A 48 -16.129 2.037 2.271 1.00 0.00 N ATOM 636 CA LYS A 48 -15.707 3.346 1.792 1.00 0.00 C ATOM 637 C LYS A 48 -14.368 3.231 1.087 1.00 0.00 C ATOM 638 O LYS A 48 -13.623 2.294 1.363 1.00 0.00 O ATOM 639 CB LYS A 48 -15.654 4.320 2.977 1.00 0.00 C ATOM 640 CG LYS A 48 -14.478 4.132 3.938 1.00 0.00 C ATOM 641 CD LYS A 48 -14.608 4.996 5.202 1.00 0.00 C ATOM 642 CE LYS A 48 -15.063 6.448 4.985 1.00 0.00 C ATOM 643 NZ LYS A 48 -14.206 7.251 4.083 1.00 0.00 N ATOM 0 H LYS A 48 -15.356 1.427 2.539 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.422 3.734 1.066 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.621 5.337 2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -16.581 4.226 3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.411 3.082 4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.550 4.382 3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.314 4.512 5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.643 5.011 5.708 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.076 6.438 4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.109 6.946 5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.310 8.260 4.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.213 6.969 4.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.493 7.089 3.096 1.00 0.00 H new ATOM 657 N GLY A 49 -14.040 4.201 0.237 1.00 0.00 N ATOM 658 CA GLY A 49 -12.770 4.173 -0.468 1.00 0.00 C ATOM 659 C GLY A 49 -11.616 4.395 0.504 1.00 0.00 C ATOM 660 O GLY A 49 -11.800 4.941 1.602 1.00 0.00 O ATOM 0 H GLY A 49 -14.631 5.005 0.024 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.649 3.215 -0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.758 4.944 -1.239 1.00 0.00 H new ATOM 664 N PHE A 50 -10.417 3.982 0.110 1.00 0.00 N ATOM 665 CA PHE A 50 -9.182 4.106 0.873 1.00 0.00 C ATOM 666 C PHE A 50 -8.102 4.665 -0.046 1.00 0.00 C ATOM 667 O PHE A 50 -8.322 4.773 -1.250 1.00 0.00 O ATOM 668 CB PHE A 50 -8.780 2.757 1.486 1.00 0.00 C ATOM 669 CG PHE A 50 -8.307 1.693 0.510 1.00 0.00 C ATOM 670 CD1 PHE A 50 -9.244 0.914 -0.194 1.00 0.00 C ATOM 671 CD2 PHE A 50 -6.928 1.446 0.343 1.00 0.00 C ATOM 672 CE1 PHE A 50 -8.807 -0.106 -1.054 1.00 0.00 C ATOM 673 CE2 PHE A 50 -6.496 0.397 -0.492 1.00 0.00 C ATOM 674 CZ PHE A 50 -7.436 -0.378 -1.193 1.00 0.00 C ATOM 0 H PHE A 50 -10.273 3.530 -0.793 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.323 4.792 1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -7.987 2.933 2.212 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.634 2.362 2.036 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -10.301 1.101 -0.073 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.203 2.061 0.856 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.529 -0.685 -1.612 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.441 0.188 -0.594 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.105 -1.180 -1.836 1.00 0.00 H new ATOM 684 N LEU A 51 -6.980 5.089 0.533 1.00 0.00 N ATOM 685 CA LEU A 51 -5.855 5.646 -0.203 1.00 0.00 C ATOM 686 C LEU A 51 -4.613 4.848 0.172 1.00 0.00 C ATOM 687 O LEU A 51 -4.539 4.260 1.260 1.00 0.00 O ATOM 688 CB LEU A 51 -5.660 7.142 0.085 1.00 0.00 C ATOM 689 CG LEU A 51 -6.590 8.105 -0.677 1.00 0.00 C ATOM 690 CD1 LEU A 51 -8.049 7.995 -0.244 1.00 0.00 C ATOM 691 CD2 LEU A 51 -6.147 9.548 -0.421 1.00 0.00 C ATOM 0 H LEU A 51 -6.828 5.053 1.541 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.048 5.569 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.797 7.306 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.628 7.405 -0.148 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.520 7.832 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.653 8.698 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.406 6.981 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.132 8.227 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.804 10.231 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.199 9.761 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.122 9.681 -0.768 1.00 0.00 H new ATOM 703 N THR A 52 -3.610 4.918 -0.697 1.00 0.00 N ATOM 704 CA THR A 52 -2.338 4.225 -0.590 1.00 0.00 C ATOM 705 C THR A 52 -1.195 5.234 -0.715 1.00 0.00 C ATOM 706 O THR A 52 -1.005 5.848 -1.770 1.00 0.00 O ATOM 707 CB THR A 52 -2.321 3.131 -1.679 1.00 0.00 C ATOM 708 OG1 THR A 52 -2.805 3.634 -2.914 1.00 0.00 O ATOM 709 CG2 THR A 52 -3.253 1.983 -1.287 1.00 0.00 C ATOM 0 H THR A 52 -3.669 5.491 -1.539 1.00 0.00 H new ATOM 0 HA THR A 52 -2.206 3.743 0.379 1.00 0.00 H new ATOM 0 HB THR A 52 -1.289 2.795 -1.777 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.432 4.526 -3.073 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.233 1.217 -2.062 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.922 1.552 -0.342 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.269 2.361 -1.177 1.00 0.00 H new ATOM 717 N GLN A 53 -0.506 5.523 0.389 1.00 0.00 N ATOM 718 CA GLN A 53 0.628 6.440 0.453 1.00 0.00 C ATOM 719 C GLN A 53 1.616 5.822 1.443 1.00 0.00 C ATOM 720 O GLN A 53 1.205 5.068 2.328 1.00 0.00 O ATOM 721 CB GLN A 53 0.154 7.854 0.843 1.00 0.00 C ATOM 722 CG GLN A 53 1.183 8.979 0.599 1.00 0.00 C ATOM 723 CD GLN A 53 0.604 10.376 0.861 1.00 0.00 C ATOM 724 OE1 GLN A 53 -0.516 10.523 1.347 1.00 0.00 O ATOM 725 NE2 GLN A 53 1.317 11.441 0.534 1.00 0.00 N ATOM 0 H GLN A 53 -0.731 5.110 1.294 1.00 0.00 H new ATOM 0 HA GLN A 53 1.121 6.569 -0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.753 8.084 0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.116 7.852 1.899 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.048 8.821 1.244 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.538 8.924 -0.430 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.247 11.328 0.130 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.937 12.375 0.685 1.00 0.00 H new ATOM 734 N ASN A 54 2.904 6.150 1.326 1.00 0.00 N ATOM 735 CA ASN A 54 3.976 5.655 2.192 1.00 0.00 C ATOM 736 C ASN A 54 3.911 4.137 2.383 1.00 0.00 C ATOM 737 O ASN A 54 4.125 3.661 3.498 1.00 0.00 O ATOM 738 CB ASN A 54 3.971 6.395 3.543 1.00 0.00 C ATOM 739 CG ASN A 54 4.032 7.900 3.401 1.00 0.00 C ATOM 740 OD1 ASN A 54 3.088 8.593 3.769 1.00 0.00 O ATOM 741 ND2 ASN A 54 5.103 8.454 2.861 1.00 0.00 N ATOM 0 H ASN A 54 3.240 6.787 0.604 1.00 0.00 H new ATOM 0 HA ASN A 54 4.922 5.865 1.693 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.070 6.125 4.094 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.821 6.058 4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.151 9.466 2.747 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.882 7.869 2.558 1.00 0.00 H new ATOM 748 N LYS A 55 3.629 3.383 1.310 1.00 0.00 N ATOM 749 CA LYS A 55 3.506 1.918 1.267 1.00 0.00 C ATOM 750 C LYS A 55 2.569 1.340 2.341 1.00 0.00 C ATOM 751 O LYS A 55 2.640 0.138 2.624 1.00 0.00 O ATOM 752 CB LYS A 55 4.896 1.243 1.178 1.00 0.00 C ATOM 753 CG LYS A 55 5.725 1.291 2.468 1.00 0.00 C ATOM 754 CD LYS A 55 7.065 0.567 2.376 1.00 0.00 C ATOM 755 CE LYS A 55 8.061 1.388 1.543 1.00 0.00 C ATOM 756 NZ LYS A 55 9.405 1.396 2.148 1.00 0.00 N ATOM 0 H LYS A 55 3.471 3.805 0.395 1.00 0.00 H new ATOM 0 HA LYS A 55 2.991 1.663 0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.759 0.200 0.891 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.465 1.721 0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.905 2.333 2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.142 0.852 3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.466 0.403 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.925 -0.415 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.118 0.976 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.699 2.412 1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.048 1.960 1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.355 1.812 3.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.761 0.421 2.215 1.00 0.00 H new ATOM 770 N GLU A 56 1.677 2.152 2.914 1.00 0.00 N ATOM 771 CA GLU A 56 0.717 1.792 3.952 1.00 0.00 C ATOM 772 C GLU A 56 -0.708 2.136 3.473 1.00 0.00 C ATOM 773 O GLU A 56 -0.873 2.677 2.374 1.00 0.00 O ATOM 774 CB GLU A 56 1.139 2.494 5.256 1.00 0.00 C ATOM 775 CG GLU A 56 2.420 1.865 5.848 1.00 0.00 C ATOM 776 CD GLU A 56 3.107 2.718 6.921 1.00 0.00 C ATOM 777 OE1 GLU A 56 2.398 3.427 7.672 1.00 0.00 O ATOM 778 OE2 GLU A 56 4.345 2.600 7.073 1.00 0.00 O ATOM 0 H GLU A 56 1.604 3.134 2.648 1.00 0.00 H new ATOM 0 HA GLU A 56 0.708 0.721 4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.309 3.553 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.330 2.429 5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.169 0.895 6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.127 1.682 5.039 1.00 0.00 H new ATOM 785 N ILE A 57 -1.740 1.809 4.258 1.00 0.00 N ATOM 786 CA ILE A 57 -3.149 2.044 3.925 1.00 0.00 C ATOM 787 C ILE A 57 -3.779 3.087 4.853 1.00 0.00 C ATOM 788 O ILE A 57 -3.670 3.000 6.084 1.00 0.00 O ATOM 789 CB ILE A 57 -3.924 0.703 3.906 1.00 0.00 C ATOM 790 CG1 ILE A 57 -3.858 -0.069 5.251 1.00 0.00 C ATOM 791 CG2 ILE A 57 -3.421 -0.155 2.728 1.00 0.00 C ATOM 792 CD1 ILE A 57 -4.592 -1.416 5.259 1.00 0.00 C ATOM 0 H ILE A 57 -1.615 1.362 5.166 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.209 2.466 2.922 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.981 0.932 3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.812 -0.240 5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.277 0.561 6.036 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.963 -1.101 2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.589 0.378 1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.355 -0.350 2.849 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.490 -1.880 6.240 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.648 -1.256 5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.160 -2.070 4.501 1.00 0.00 H new ATOM 804 N PHE A 58 -4.479 4.073 4.279 1.00 0.00 N ATOM 805 CA PHE A 58 -5.108 5.138 5.050 1.00 0.00 C ATOM 806 C PHE A 58 -6.534 5.466 4.597 1.00 0.00 C ATOM 807 O PHE A 58 -7.022 5.006 3.568 1.00 0.00 O ATOM 808 CB PHE A 58 -4.207 6.377 5.030 1.00 0.00 C ATOM 809 CG PHE A 58 -2.792 6.141 5.550 1.00 0.00 C ATOM 810 CD1 PHE A 58 -2.573 5.812 6.904 1.00 0.00 C ATOM 811 CD2 PHE A 58 -1.684 6.246 4.687 1.00 0.00 C ATOM 812 CE1 PHE A 58 -1.268 5.587 7.381 1.00 0.00 C ATOM 813 CE2 PHE A 58 -0.381 6.037 5.170 1.00 0.00 C ATOM 814 CZ PHE A 58 -0.169 5.703 6.515 1.00 0.00 C ATOM 0 H PHE A 58 -4.622 4.150 3.272 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.216 4.781 6.074 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.147 6.750 4.008 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.674 7.160 5.628 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.412 5.732 7.579 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.837 6.489 3.646 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.112 5.324 8.417 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.462 6.134 4.501 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.833 5.536 6.882 1.00 0.00 H new ATOM 824 N CYS A 59 -7.256 6.210 5.449 1.00 0.00 N ATOM 825 CA CYS A 59 -8.633 6.613 5.168 1.00 0.00 C ATOM 826 C CYS A 59 -8.567 7.901 4.337 1.00 0.00 C ATOM 827 O CYS A 59 -7.629 8.675 4.524 1.00 0.00 O ATOM 828 CB CYS A 59 -9.460 6.896 6.456 1.00 0.00 C ATOM 829 SG CYS A 59 -9.477 8.585 7.035 1.00 0.00 S ATOM 0 H CYS A 59 -6.900 6.545 6.345 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.130 5.796 4.644 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.489 6.587 6.276 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.073 6.265 7.256 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.602 8.825 7.641 1.00 0.00 H new ATOM 834 N GLN A 60 -9.611 8.206 3.570 1.00 0.00 N ATOM 835 CA GLN A 60 -9.707 9.405 2.740 1.00 0.00 C ATOM 836 C GLN A 60 -9.477 10.659 3.614 1.00 0.00 C ATOM 837 O GLN A 60 -8.521 11.388 3.380 1.00 0.00 O ATOM 838 CB GLN A 60 -11.050 9.389 1.987 1.00 0.00 C ATOM 839 CG GLN A 60 -11.234 8.212 1.016 1.00 0.00 C ATOM 840 CD GLN A 60 -12.688 8.020 0.583 1.00 0.00 C ATOM 841 OE1 GLN A 60 -13.597 7.914 1.414 1.00 0.00 O ATOM 842 NE2 GLN A 60 -12.927 7.965 -0.713 1.00 0.00 N ATOM 0 H GLN A 60 -10.436 7.610 3.507 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.929 9.428 1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.859 9.368 2.717 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.148 10.320 1.429 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.616 8.376 0.133 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.877 7.297 1.490 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.159 8.055 -1.378 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -13.880 7.832 -1.051 1.00 0.00 H new ATOM 851 N LYS A 61 -10.199 10.829 4.735 1.00 0.00 N ATOM 852 CA LYS A 61 -10.061 11.974 5.664 1.00 0.00 C ATOM 853 C LYS A 61 -8.631 12.197 6.199 1.00 0.00 C ATOM 854 O LYS A 61 -8.319 13.284 6.674 1.00 0.00 O ATOM 855 CB LYS A 61 -11.052 11.785 6.833 1.00 0.00 C ATOM 856 CG LYS A 61 -11.249 13.027 7.713 1.00 0.00 C ATOM 857 CD LYS A 61 -12.232 12.835 8.880 1.00 0.00 C ATOM 858 CE LYS A 61 -13.674 13.153 8.468 1.00 0.00 C ATOM 859 NZ LYS A 61 -14.529 13.496 9.623 1.00 0.00 N ATOM 0 H LYS A 61 -10.912 10.162 5.031 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.291 12.874 5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.019 11.487 6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.702 10.964 7.459 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.282 13.328 8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.603 13.847 7.088 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.175 11.807 9.238 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.941 13.479 9.710 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.672 13.983 7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.098 12.294 7.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.493 13.702 9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.555 12.695 10.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.142 14.332 10.105 1.00 0.00 H new ATOM 873 N CYS A 62 -7.821 11.138 6.251 1.00 0.00 N ATOM 874 CA CYS A 62 -6.424 11.148 6.705 1.00 0.00 C ATOM 875 C CYS A 62 -5.420 11.238 5.543 1.00 0.00 C ATOM 876 O CYS A 62 -4.272 11.600 5.781 1.00 0.00 O ATOM 877 CB CYS A 62 -6.111 9.968 7.667 1.00 0.00 C ATOM 878 SG CYS A 62 -6.346 10.365 9.407 1.00 0.00 S ATOM 0 H CYS A 62 -8.131 10.209 5.966 1.00 0.00 H new ATOM 0 HA CYS A 62 -6.298 12.064 7.282 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.748 9.122 7.408 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.080 9.650 7.513 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.064 9.323 10.132 1.00 0.00 H new ATOM 883 N GLY A 63 -5.795 10.841 4.325 1.00 0.00 N ATOM 884 CA GLY A 63 -4.942 10.885 3.143 1.00 0.00 C ATOM 885 C GLY A 63 -5.221 12.084 2.232 1.00 0.00 C ATOM 886 O GLY A 63 -4.558 12.219 1.206 1.00 0.00 O ATOM 0 H GLY A 63 -6.726 10.471 4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.899 10.913 3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.078 9.966 2.573 1.00 0.00 H new ATOM 890 N SER A 64 -6.234 12.894 2.537 1.00 0.00 N ATOM 891 CA SER A 64 -6.641 14.067 1.787 1.00 0.00 C ATOM 892 C SER A 64 -5.479 15.061 1.796 1.00 0.00 C ATOM 893 O SER A 64 -5.211 15.700 2.817 1.00 0.00 O ATOM 894 CB SER A 64 -7.946 14.600 2.407 1.00 0.00 C ATOM 895 OG SER A 64 -8.372 15.853 1.903 1.00 0.00 O ATOM 0 H SER A 64 -6.819 12.736 3.357 1.00 0.00 H new ATOM 0 HA SER A 64 -6.859 13.855 0.740 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.737 13.869 2.240 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.812 14.684 3.485 1.00 0.00 H new ATOM 0 HG SER A 64 -9.205 16.118 2.346 1.00 0.00 H new