USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 307 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 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -129:sc= -0.0495 (180deg=-0.195) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -0.0554 K(o=-0.055,f=-1) USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 0.926 (180deg=0.91) USER MOD Single : A 31 ASN : amide:sc= 0.423 X(o=0.42,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.0057) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -15.861 3.851 8.452 1.00 0.00 N ATOM 2 CA CYS A 1 -16.495 2.999 7.401 1.00 0.00 C ATOM 3 C CYS A 1 -15.770 3.176 6.060 1.00 0.00 C ATOM 4 O CYS A 1 -15.195 2.227 5.563 1.00 0.00 O ATOM 5 CB CYS A 1 -17.960 3.442 7.296 1.00 0.00 C ATOM 6 SG CYS A 1 -18.956 2.553 8.519 1.00 0.00 S ATOM 0 H1 CYS A 1 -16.362 3.721 9.354 1.00 0.00 H new ATOM 0 H2 CYS A 1 -14.865 3.576 8.567 1.00 0.00 H new ATOM 0 H3 CYS A 1 -15.914 4.850 8.168 1.00 0.00 H new ATOM 0 HA CYS A 1 -16.432 1.942 7.660 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -18.038 4.517 7.461 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -18.338 3.246 6.293 1.00 0.00 H new ATOM 0 HG CYS A 1 -20.196 2.933 8.428 1.00 0.00 H new ATOM 14 N ALA A 2 -15.797 4.365 5.489 1.00 0.00 N ATOM 15 CA ALA A 2 -15.128 4.661 4.178 1.00 0.00 C ATOM 16 C ALA A 2 -15.595 3.690 3.079 1.00 0.00 C ATOM 17 O ALA A 2 -14.802 3.125 2.352 1.00 0.00 O ATOM 18 CB ALA A 2 -13.619 4.567 4.439 1.00 0.00 C ATOM 0 H ALA A 2 -16.274 5.169 5.897 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.390 5.653 3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.077 4.774 3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.335 5.296 5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.372 3.564 4.788 1.00 0.00 H new ATOM 24 N VAL A 3 -16.889 3.505 2.963 1.00 0.00 N ATOM 25 CA VAL A 3 -17.475 2.586 1.930 1.00 0.00 C ATOM 26 C VAL A 3 -18.190 3.377 0.819 1.00 0.00 C ATOM 27 O VAL A 3 -19.111 2.873 0.201 1.00 0.00 O ATOM 28 CB VAL A 3 -18.494 1.708 2.670 1.00 0.00 C ATOM 29 CG1 VAL A 3 -17.825 0.930 3.810 1.00 0.00 C ATOM 30 CG2 VAL A 3 -19.635 2.579 3.221 1.00 0.00 C ATOM 0 H VAL A 3 -17.581 3.963 3.555 1.00 0.00 H new ATOM 0 HA VAL A 3 -16.691 1.998 1.453 1.00 0.00 H new ATOM 0 HB VAL A 3 -18.903 0.987 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -18.569 0.316 4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -17.043 0.289 3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -17.387 1.631 4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -20.354 1.949 3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -19.228 3.317 3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -20.133 3.090 2.397 1.00 0.00 H new ATOM 40 N GLU A 4 -17.784 4.603 0.575 1.00 0.00 N ATOM 41 CA GLU A 4 -18.405 5.478 -0.474 1.00 0.00 C ATOM 42 C GLU A 4 -19.927 5.644 -0.292 1.00 0.00 C ATOM 43 O GLU A 4 -20.621 5.990 -1.232 1.00 0.00 O ATOM 44 CB GLU A 4 -18.056 4.809 -1.812 1.00 0.00 C ATOM 45 CG GLU A 4 -17.613 5.857 -2.837 1.00 0.00 C ATOM 46 CD GLU A 4 -18.803 6.299 -3.692 1.00 0.00 C ATOM 47 OE1 GLU A 4 -19.328 5.478 -4.429 1.00 0.00 O ATOM 48 OE2 GLU A 4 -19.174 7.458 -3.594 1.00 0.00 O ATOM 0 H GLU A 4 -17.018 5.049 1.080 1.00 0.00 H new ATOM 0 HA GLU A 4 -18.018 6.495 -0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.261 4.078 -1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -18.922 4.265 -2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.185 6.718 -2.325 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.831 5.444 -3.475 1.00 0.00 H new ATOM 55 N LEU A 5 -20.446 5.399 0.896 1.00 0.00 N ATOM 56 CA LEU A 5 -21.909 5.518 1.207 1.00 0.00 C ATOM 57 C LEU A 5 -22.756 4.704 0.206 1.00 0.00 C ATOM 58 O LEU A 5 -23.911 5.012 -0.029 1.00 0.00 O ATOM 59 CB LEU A 5 -22.239 7.021 1.156 1.00 0.00 C ATOM 60 CG LEU A 5 -21.568 7.827 2.284 1.00 0.00 C ATOM 61 CD1 LEU A 5 -21.729 7.144 3.647 1.00 0.00 C ATOM 62 CD2 LEU A 5 -20.074 8.030 1.996 1.00 0.00 C ATOM 0 H LEU A 5 -19.884 5.108 1.696 1.00 0.00 H new ATOM 0 HA LEU A 5 -22.143 5.109 2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -21.924 7.423 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -23.319 7.152 1.218 1.00 0.00 H new ATOM 0 HG LEU A 5 -22.068 8.795 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -21.242 7.745 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -22.789 7.045 3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -21.271 6.155 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -19.622 8.602 2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -19.583 7.060 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -19.955 8.573 1.058 1.00 0.00 H new ATOM 74 N ARG A 6 -22.178 3.673 -0.379 1.00 0.00 N ATOM 75 CA ARG A 6 -22.878 2.804 -1.372 1.00 0.00 C ATOM 76 C ARG A 6 -22.223 1.411 -1.369 1.00 0.00 C ATOM 77 O ARG A 6 -22.886 0.422 -1.131 1.00 0.00 O ATOM 78 CB ARG A 6 -22.656 3.518 -2.713 1.00 0.00 C ATOM 79 CG ARG A 6 -23.986 3.802 -3.423 1.00 0.00 C ATOM 80 CD ARG A 6 -24.423 5.251 -3.166 1.00 0.00 C ATOM 81 NE ARG A 6 -24.084 6.025 -4.400 1.00 0.00 N ATOM 82 CZ ARG A 6 -23.211 7.000 -4.350 1.00 0.00 C ATOM 83 NH1 ARG A 6 -21.953 6.732 -4.113 1.00 0.00 N ATOM 84 NH2 ARG A 6 -23.605 8.234 -4.540 1.00 0.00 N ATOM 0 H ARG A 6 -21.214 3.395 -0.197 1.00 0.00 H new ATOM 0 HA ARG A 6 -23.938 2.659 -1.161 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -22.125 4.455 -2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -22.024 2.903 -3.354 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -23.879 3.631 -4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -24.752 3.114 -3.065 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -25.492 5.302 -2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -23.909 5.662 -2.297 1.00 0.00 H new ATOM 0 HE ARG A 6 -24.535 5.792 -5.285 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -21.656 5.767 -3.968 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -21.269 7.488 -4.073 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -24.588 8.433 -4.726 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -22.929 8.997 -4.502 1.00 0.00 H new ATOM 98 N SER A 7 -20.934 1.342 -1.629 1.00 0.00 N ATOM 99 CA SER A 7 -20.184 0.047 -1.653 1.00 0.00 C ATOM 100 C SER A 7 -18.684 0.308 -1.429 1.00 0.00 C ATOM 101 O SER A 7 -18.181 1.323 -1.878 1.00 0.00 O ATOM 102 CB SER A 7 -20.444 -0.567 -3.037 1.00 0.00 C ATOM 103 OG SER A 7 -20.016 0.318 -4.068 1.00 0.00 O ATOM 0 H SER A 7 -20.357 2.158 -1.831 1.00 0.00 H new ATOM 0 HA SER A 7 -20.509 -0.631 -0.864 1.00 0.00 H new ATOM 0 HB2 SER A 7 -19.917 -1.517 -3.124 1.00 0.00 H new ATOM 0 HB3 SER A 7 -21.507 -0.781 -3.152 1.00 0.00 H new ATOM 0 HG SER A 7 -20.188 -0.091 -4.942 1.00 0.00 H new ATOM 109 N PRO A 8 -18.012 -0.596 -0.748 1.00 0.00 N ATOM 110 CA PRO A 8 -16.551 -0.433 -0.474 1.00 0.00 C ATOM 111 C PRO A 8 -15.724 -0.659 -1.755 1.00 0.00 C ATOM 112 O PRO A 8 -15.009 -1.638 -1.890 1.00 0.00 O ATOM 113 CB PRO A 8 -16.274 -1.484 0.603 1.00 0.00 C ATOM 114 CG PRO A 8 -17.327 -2.524 0.424 1.00 0.00 C ATOM 115 CD PRO A 8 -18.530 -1.846 -0.166 1.00 0.00 C ATOM 0 HA PRO A 8 -16.275 0.569 -0.144 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -15.278 -1.911 0.488 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -16.320 -1.046 1.600 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.974 -3.319 -0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -17.577 -2.986 1.379 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -19.002 -2.469 -0.925 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -19.284 -1.645 0.595 1.00 0.00 H new ATOM 123 N GLY A 9 -15.827 0.251 -2.694 1.00 0.00 N ATOM 124 CA GLY A 9 -15.083 0.159 -3.986 1.00 0.00 C ATOM 125 C GLY A 9 -13.923 1.158 -3.984 1.00 0.00 C ATOM 126 O GLY A 9 -13.956 2.141 -3.267 1.00 0.00 O ATOM 0 H GLY A 9 -16.416 1.080 -2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -14.704 -0.853 -4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -15.754 0.368 -4.819 1.00 0.00 H new ATOM 130 N ILE A 10 -12.904 0.899 -4.777 1.00 0.00 N ATOM 131 CA ILE A 10 -11.677 1.754 -4.905 1.00 0.00 C ATOM 132 C ILE A 10 -10.732 1.549 -3.711 1.00 0.00 C ATOM 133 O ILE A 10 -9.543 1.381 -3.892 1.00 0.00 O ATOM 134 CB ILE A 10 -12.123 3.222 -5.108 1.00 0.00 C ATOM 135 CG1 ILE A 10 -11.382 3.775 -6.330 1.00 0.00 C ATOM 136 CG2 ILE A 10 -11.853 4.116 -3.881 1.00 0.00 C ATOM 137 CD1 ILE A 10 -11.539 5.296 -6.418 1.00 0.00 C ATOM 0 H ILE A 10 -12.877 0.075 -5.377 1.00 0.00 H new ATOM 0 HA ILE A 10 -11.092 1.461 -5.777 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.203 3.231 -5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -10.325 3.517 -6.268 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.770 3.312 -7.237 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -12.189 5.132 -4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.394 3.725 -3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.785 4.124 -3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.005 5.667 -7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.596 5.548 -6.504 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -11.128 5.757 -5.520 1.00 0.00 H new ATOM 149 N SER A 11 -11.252 1.562 -2.509 1.00 0.00 N ATOM 150 CA SER A 11 -10.422 1.372 -1.280 1.00 0.00 C ATOM 151 C SER A 11 -9.920 -0.076 -1.189 1.00 0.00 C ATOM 152 O SER A 11 -8.810 -0.300 -0.743 1.00 0.00 O ATOM 153 CB SER A 11 -11.344 1.751 -0.117 1.00 0.00 C ATOM 154 OG SER A 11 -10.563 2.012 1.043 1.00 0.00 O ATOM 0 H SER A 11 -12.246 1.700 -2.324 1.00 0.00 H new ATOM 0 HA SER A 11 -9.523 1.988 -1.276 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.932 2.631 -0.378 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.049 0.943 0.080 1.00 0.00 H new ATOM 0 HG SER A 11 -11.153 2.256 1.786 1.00 0.00 H new ATOM 160 N ARG A 12 -10.708 -1.043 -1.611 1.00 0.00 N ATOM 161 CA ARG A 12 -10.262 -2.475 -1.558 1.00 0.00 C ATOM 162 C ARG A 12 -9.000 -2.647 -2.420 1.00 0.00 C ATOM 163 O ARG A 12 -8.082 -3.346 -2.034 1.00 0.00 O ATOM 164 CB ARG A 12 -11.416 -3.324 -2.115 1.00 0.00 C ATOM 165 CG ARG A 12 -12.099 -4.099 -0.983 1.00 0.00 C ATOM 166 CD ARG A 12 -11.430 -5.467 -0.808 1.00 0.00 C ATOM 167 NE ARG A 12 -11.694 -5.864 0.606 1.00 0.00 N ATOM 168 CZ ARG A 12 -10.722 -5.884 1.479 1.00 0.00 C ATOM 169 NH1 ARG A 12 -10.428 -4.795 2.147 1.00 0.00 N ATOM 170 NH2 ARG A 12 -10.055 -6.992 1.674 1.00 0.00 N ATOM 0 H ARG A 12 -11.644 -0.900 -1.991 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.021 -2.783 -0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -12.141 -2.682 -2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.037 -4.019 -2.864 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.037 -3.533 -0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.158 -4.228 -1.207 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.843 -6.197 -1.504 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.360 -5.408 -1.005 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.639 -6.121 0.893 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.957 -3.938 1.984 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.670 -4.804 2.830 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.295 -7.831 1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.295 -7.017 2.353 1.00 0.00 H new ATOM 184 N PHE A 13 -8.959 -2.004 -3.567 1.00 0.00 N ATOM 185 CA PHE A 13 -7.782 -2.084 -4.488 1.00 0.00 C ATOM 186 C PHE A 13 -6.644 -1.176 -3.980 1.00 0.00 C ATOM 187 O PHE A 13 -5.488 -1.464 -4.234 1.00 0.00 O ATOM 188 CB PHE A 13 -8.344 -1.703 -5.876 1.00 0.00 C ATOM 189 CG PHE A 13 -7.527 -0.653 -6.602 1.00 0.00 C ATOM 190 CD1 PHE A 13 -6.408 -1.028 -7.357 1.00 0.00 C ATOM 191 CD2 PHE A 13 -7.896 0.695 -6.521 1.00 0.00 C ATOM 192 CE1 PHE A 13 -5.660 -0.054 -8.027 1.00 0.00 C ATOM 193 CE2 PHE A 13 -7.148 1.667 -7.191 1.00 0.00 C ATOM 194 CZ PHE A 13 -6.031 1.294 -7.944 1.00 0.00 C ATOM 0 H PHE A 13 -9.716 -1.412 -3.909 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.324 -3.072 -4.540 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.397 -2.599 -6.494 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.364 -1.337 -5.756 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.123 -2.068 -7.422 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -8.759 0.984 -5.940 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.796 -0.342 -8.608 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -7.433 2.707 -7.127 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.454 2.046 -8.462 1.00 0.00 H new ATOM 204 N ARG A 14 -6.952 -0.104 -3.275 1.00 0.00 N ATOM 205 CA ARG A 14 -5.897 0.827 -2.743 1.00 0.00 C ATOM 206 C ARG A 14 -4.843 0.080 -1.905 1.00 0.00 C ATOM 207 O ARG A 14 -3.707 0.512 -1.865 1.00 0.00 O ATOM 208 CB ARG A 14 -6.626 1.889 -1.907 1.00 0.00 C ATOM 209 CG ARG A 14 -7.053 3.049 -2.812 1.00 0.00 C ATOM 210 CD ARG A 14 -7.906 4.058 -2.032 1.00 0.00 C ATOM 211 NE ARG A 14 -6.961 5.081 -1.492 1.00 0.00 N ATOM 212 CZ ARG A 14 -7.417 6.149 -0.889 1.00 0.00 C ATOM 213 NH1 ARG A 14 -7.783 7.184 -1.601 1.00 0.00 N ATOM 214 NH2 ARG A 14 -7.504 6.169 0.417 1.00 0.00 N ATOM 0 H ARG A 14 -7.907 0.168 -3.043 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.348 1.288 -3.564 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.499 1.450 -1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.973 2.254 -1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.171 3.546 -3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.619 2.666 -3.661 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.650 4.521 -2.680 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.448 3.566 -1.225 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.955 4.946 -1.594 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.712 7.154 -2.618 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.140 8.021 -1.139 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.217 5.355 0.960 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.859 6.999 0.892 1.00 0.00 H new ATOM 228 N ARG A 15 -5.194 -1.016 -1.259 1.00 0.00 N ATOM 229 CA ARG A 15 -4.202 -1.789 -0.437 1.00 0.00 C ATOM 230 C ARG A 15 -3.015 -2.206 -1.323 1.00 0.00 C ATOM 231 O ARG A 15 -1.872 -2.099 -0.915 1.00 0.00 O ATOM 232 CB ARG A 15 -4.937 -3.030 0.088 1.00 0.00 C ATOM 233 CG ARG A 15 -5.468 -2.779 1.503 1.00 0.00 C ATOM 234 CD ARG A 15 -4.459 -3.296 2.537 1.00 0.00 C ATOM 235 NE ARG A 15 -4.561 -2.365 3.699 1.00 0.00 N ATOM 236 CZ ARG A 15 -5.264 -2.688 4.753 1.00 0.00 C ATOM 237 NH1 ARG A 15 -4.779 -3.546 5.616 1.00 0.00 N ATOM 238 NH2 ARG A 15 -6.442 -2.150 4.938 1.00 0.00 N ATOM 0 H ARG A 15 -6.135 -1.409 -1.268 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.813 -1.192 0.388 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.763 -3.280 -0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.261 -3.885 0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.642 -1.713 1.652 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.427 -3.280 1.635 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.691 -4.319 2.833 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.448 -3.304 2.129 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.077 -1.467 3.671 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.858 -3.958 5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.322 -3.802 6.440 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.809 -1.481 4.261 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.993 -2.400 5.759 1.00 0.00 H new ATOM 252 N LYS A 16 -3.281 -2.668 -2.527 1.00 0.00 N ATOM 253 CA LYS A 16 -2.188 -3.087 -3.463 1.00 0.00 C ATOM 254 C LYS A 16 -1.403 -1.848 -3.920 1.00 0.00 C ATOM 255 O LYS A 16 -0.203 -1.935 -4.108 1.00 0.00 O ATOM 256 CB LYS A 16 -2.867 -3.783 -4.650 1.00 0.00 C ATOM 257 CG LYS A 16 -1.819 -4.464 -5.540 1.00 0.00 C ATOM 258 CD LYS A 16 -1.377 -5.801 -4.931 1.00 0.00 C ATOM 259 CE LYS A 16 0.135 -5.978 -5.119 1.00 0.00 C ATOM 260 NZ LYS A 16 0.432 -7.400 -4.776 1.00 0.00 N ATOM 0 H LYS A 16 -4.223 -2.773 -2.903 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.480 -3.764 -2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.581 -4.522 -4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.431 -3.055 -5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.232 -4.631 -6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.955 -3.810 -5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.627 -5.829 -3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.911 -6.623 -5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.429 -5.755 -6.145 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.690 -5.297 -4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.451 -7.578 -4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.153 -7.585 -3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.100 -8.029 -5.411 1.00 0.00 H new ATOM 274 N ILE A 17 -2.058 -0.715 -4.084 1.00 0.00 N ATOM 275 CA ILE A 17 -1.347 0.533 -4.513 1.00 0.00 C ATOM 276 C ILE A 17 -0.306 0.872 -3.435 1.00 0.00 C ATOM 277 O ILE A 17 0.808 1.239 -3.759 1.00 0.00 O ATOM 278 CB ILE A 17 -2.411 1.636 -4.656 1.00 0.00 C ATOM 279 CG1 ILE A 17 -3.400 1.297 -5.784 1.00 0.00 C ATOM 280 CG2 ILE A 17 -1.760 2.990 -4.961 1.00 0.00 C ATOM 281 CD1 ILE A 17 -2.672 1.043 -7.112 1.00 0.00 C ATOM 0 H ILE A 17 -3.061 -0.605 -3.937 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.828 0.422 -5.465 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.945 1.697 -3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.978 0.414 -5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.108 2.116 -5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.533 3.752 -5.057 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.084 3.260 -4.150 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.199 2.922 -5.893 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.401 0.806 -7.887 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.115 1.935 -7.398 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.983 0.207 -6.995 1.00 0.00 H new ATOM 293 N ALA A 18 -0.660 0.733 -2.174 1.00 0.00 N ATOM 294 CA ALA A 18 0.301 1.024 -1.063 1.00 0.00 C ATOM 295 C ALA A 18 1.450 0.007 -1.126 1.00 0.00 C ATOM 296 O ALA A 18 2.590 0.364 -0.895 1.00 0.00 O ATOM 297 CB ALA A 18 -0.487 0.890 0.244 1.00 0.00 C ATOM 0 H ALA A 18 -1.584 0.427 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 18 0.732 2.022 -1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.172 1.093 1.088 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.311 1.603 0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.883 -0.122 0.328 1.00 0.00 H new ATOM 303 N LYS A 19 1.159 -1.239 -1.452 1.00 0.00 N ATOM 304 CA LYS A 19 2.230 -2.285 -1.553 1.00 0.00 C ATOM 305 C LYS A 19 3.189 -1.967 -2.720 1.00 0.00 C ATOM 306 O LYS A 19 4.259 -2.540 -2.798 1.00 0.00 O ATOM 307 CB LYS A 19 1.508 -3.622 -1.769 1.00 0.00 C ATOM 308 CG LYS A 19 2.301 -4.759 -1.111 1.00 0.00 C ATOM 309 CD LYS A 19 1.385 -5.961 -0.847 1.00 0.00 C ATOM 310 CE LYS A 19 1.815 -6.669 0.444 1.00 0.00 C ATOM 311 NZ LYS A 19 1.428 -8.103 0.287 1.00 0.00 N ATOM 0 H LYS A 19 0.217 -1.574 -1.653 1.00 0.00 H new ATOM 0 HA LYS A 19 2.842 -2.320 -0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.504 -3.575 -1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.396 -3.816 -2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.127 -5.057 -1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.738 -4.413 -0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.350 -5.630 -0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.430 -6.656 -1.686 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.889 -6.572 0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.325 -6.227 1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.699 -8.631 1.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.399 -8.172 0.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.916 -8.506 -0.539 1.00 0.00 H new ATOM 325 N ARG A 20 2.827 -1.064 -3.608 1.00 0.00 N ATOM 326 CA ARG A 20 3.700 -0.682 -4.760 1.00 0.00 C ATOM 327 C ARG A 20 4.508 0.558 -4.349 1.00 0.00 C ATOM 328 O ARG A 20 5.684 0.651 -4.652 1.00 0.00 O ATOM 329 CB ARG A 20 2.757 -0.365 -5.926 1.00 0.00 C ATOM 330 CG ARG A 20 2.325 -1.663 -6.615 1.00 0.00 C ATOM 331 CD ARG A 20 2.582 -1.577 -8.126 1.00 0.00 C ATOM 332 NE ARG A 20 1.234 -1.635 -8.763 1.00 0.00 N ATOM 333 CZ ARG A 20 0.774 -0.612 -9.439 1.00 0.00 C ATOM 334 NH1 ARG A 20 0.356 0.453 -8.804 1.00 0.00 N ATOM 335 NH2 ARG A 20 0.738 -0.667 -10.746 1.00 0.00 N ATOM 0 H ARG A 20 1.938 -0.566 -3.576 1.00 0.00 H new ATOM 0 HA ARG A 20 4.398 -1.468 -5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.881 0.172 -5.561 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.256 0.288 -6.642 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.873 -2.506 -6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.267 -1.846 -6.429 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.099 -0.653 -8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.212 -2.400 -8.465 1.00 0.00 H new ATOM 0 HE ARG A 20 0.667 -2.478 -8.671 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.389 0.485 -7.785 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.003 1.251 -9.328 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.067 -1.502 -11.231 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.381 0.125 -11.280 1.00 0.00 H new ATOM 349 N SER A 21 3.890 1.497 -3.660 1.00 0.00 N ATOM 350 CA SER A 21 4.613 2.732 -3.215 1.00 0.00 C ATOM 351 C SER A 21 5.640 2.407 -2.119 1.00 0.00 C ATOM 352 O SER A 21 6.600 3.141 -1.973 1.00 0.00 O ATOM 353 CB SER A 21 3.560 3.709 -2.686 1.00 0.00 C ATOM 354 OG SER A 21 4.045 5.036 -2.866 1.00 0.00 O ATOM 0 H SER A 21 2.908 1.456 -3.387 1.00 0.00 H new ATOM 0 HA SER A 21 5.163 3.167 -4.049 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.618 3.575 -3.217 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.362 3.518 -1.631 1.00 0.00 H new ATOM 0 HG SER A 21 3.381 5.675 -2.533 1.00 0.00 H new ATOM 360 N ILE A 22 5.461 1.340 -1.364 1.00 0.00 N ATOM 361 CA ILE A 22 6.439 0.978 -0.286 1.00 0.00 C ATOM 362 C ILE A 22 7.838 0.761 -0.888 1.00 0.00 C ATOM 363 O ILE A 22 8.812 1.198 -0.306 1.00 0.00 O ATOM 364 CB ILE A 22 5.879 -0.267 0.432 1.00 0.00 C ATOM 365 CG1 ILE A 22 6.600 -0.431 1.776 1.00 0.00 C ATOM 366 CG2 ILE A 22 6.049 -1.542 -0.403 1.00 0.00 C ATOM 367 CD1 ILE A 22 5.817 -1.388 2.680 1.00 0.00 C ATOM 0 H ILE A 22 4.671 0.701 -1.453 1.00 0.00 H new ATOM 0 HA ILE A 22 6.559 1.779 0.444 1.00 0.00 H new ATOM 0 HB ILE A 22 4.810 -0.118 0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.607 -0.815 1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.703 0.539 2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.640 -2.392 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.520 -1.430 -1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.108 -1.711 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.337 -1.497 3.631 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.819 -0.987 2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.737 -2.362 2.196 1.00 0.00 H new ATOM 379 N LYS A 23 7.934 0.115 -2.034 1.00 0.00 N ATOM 380 CA LYS A 23 9.260 -0.121 -2.695 1.00 0.00 C ATOM 381 C LYS A 23 9.873 1.251 -3.022 1.00 0.00 C ATOM 382 O LYS A 23 11.064 1.448 -2.887 1.00 0.00 O ATOM 383 CB LYS A 23 8.957 -0.922 -3.966 1.00 0.00 C ATOM 384 CG LYS A 23 10.250 -1.416 -4.624 1.00 0.00 C ATOM 385 CD LYS A 23 10.058 -1.535 -6.141 1.00 0.00 C ATOM 386 CE LYS A 23 9.434 -2.890 -6.505 1.00 0.00 C ATOM 387 NZ LYS A 23 7.955 -2.678 -6.550 1.00 0.00 N ATOM 0 H LYS A 23 7.135 -0.263 -2.544 1.00 0.00 H new ATOM 0 HA LYS A 23 9.968 -0.667 -2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.321 -1.773 -3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.402 -0.300 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.065 -0.726 -4.406 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.532 -2.383 -4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.418 -0.727 -6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.019 -1.425 -6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.805 -3.242 -7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.695 -3.648 -5.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.483 -3.399 -5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.728 -1.732 -6.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.623 -2.755 -7.533 1.00 0.00 H new ATOM 401 N THR A 24 9.062 2.200 -3.430 1.00 0.00 N ATOM 402 CA THR A 24 9.575 3.569 -3.747 1.00 0.00 C ATOM 403 C THR A 24 10.053 4.185 -2.422 1.00 0.00 C ATOM 404 O THR A 24 11.102 4.802 -2.375 1.00 0.00 O ATOM 405 CB THR A 24 8.393 4.353 -4.337 1.00 0.00 C ATOM 406 OG1 THR A 24 7.783 3.589 -5.370 1.00 0.00 O ATOM 407 CG2 THR A 24 8.871 5.684 -4.924 1.00 0.00 C ATOM 0 H THR A 24 8.057 2.081 -3.557 1.00 0.00 H new ATOM 0 HA THR A 24 10.401 3.573 -4.458 1.00 0.00 H new ATOM 0 HB THR A 24 7.676 4.549 -3.540 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.028 4.089 -5.745 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.020 6.226 -5.337 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.335 6.282 -4.140 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.598 5.493 -5.713 1.00 0.00 H new ATOM 415 N LEU A 25 9.289 4.000 -1.366 1.00 0.00 N ATOM 416 CA LEU A 25 9.640 4.535 -0.012 1.00 0.00 C ATOM 417 C LEU A 25 10.947 3.891 0.480 1.00 0.00 C ATOM 418 O LEU A 25 11.901 4.600 0.744 1.00 0.00 O ATOM 419 CB LEU A 25 8.463 4.170 0.907 1.00 0.00 C ATOM 420 CG LEU A 25 7.858 5.432 1.525 1.00 0.00 C ATOM 421 CD1 LEU A 25 6.868 6.066 0.544 1.00 0.00 C ATOM 422 CD2 LEU A 25 7.121 5.058 2.814 1.00 0.00 C ATOM 0 H LEU A 25 8.410 3.483 -1.392 1.00 0.00 H new ATOM 0 HA LEU A 25 9.800 5.613 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.702 3.635 0.339 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.803 3.499 1.695 1.00 0.00 H new ATOM 0 HG LEU A 25 8.654 6.144 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.440 6.964 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.387 6.329 -0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.071 5.356 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.688 5.954 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.328 4.346 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.822 4.607 3.516 1.00 0.00 H new ATOM 434 N GLU A 26 10.989 2.578 0.591 1.00 0.00 N ATOM 435 CA GLU A 26 12.224 1.860 1.057 1.00 0.00 C ATOM 436 C GLU A 26 13.423 2.155 0.145 1.00 0.00 C ATOM 437 O GLU A 26 14.533 2.263 0.634 1.00 0.00 O ATOM 438 CB GLU A 26 11.902 0.356 1.117 1.00 0.00 C ATOM 439 CG GLU A 26 11.449 -0.214 -0.236 1.00 0.00 C ATOM 440 CD GLU A 26 12.550 -0.986 -0.981 1.00 0.00 C ATOM 441 OE1 GLU A 26 13.466 -1.490 -0.352 1.00 0.00 O ATOM 442 OE2 GLU A 26 12.450 -1.072 -2.194 1.00 0.00 O ATOM 0 H GLU A 26 10.204 1.964 0.374 1.00 0.00 H new ATOM 0 HA GLU A 26 12.510 2.212 2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.785 -0.186 1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.120 0.186 1.857 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.599 -0.876 -0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.101 0.604 -0.867 1.00 0.00 H new ATOM 449 N HIS A 27 13.218 2.298 -1.148 1.00 0.00 N ATOM 450 CA HIS A 27 14.353 2.603 -2.078 1.00 0.00 C ATOM 451 C HIS A 27 14.981 3.949 -1.676 1.00 0.00 C ATOM 452 O HIS A 27 16.178 4.124 -1.789 1.00 0.00 O ATOM 453 CB HIS A 27 13.746 2.653 -3.487 1.00 0.00 C ATOM 454 CG HIS A 27 14.793 2.802 -4.564 1.00 0.00 C ATOM 455 ND1 HIS A 27 16.160 2.750 -4.326 1.00 0.00 N ATOM 456 CD2 HIS A 27 14.666 3.008 -5.916 1.00 0.00 C ATOM 457 CE1 HIS A 27 16.788 2.923 -5.501 1.00 0.00 C ATOM 458 NE2 HIS A 27 15.924 3.084 -6.505 1.00 0.00 N ATOM 0 H HIS A 27 12.307 2.215 -1.599 1.00 0.00 H new ATOM 0 HA HIS A 27 15.145 1.855 -2.040 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.174 1.742 -3.665 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.046 3.486 -3.548 1.00 0.00 H new ATOM 0 HD1 HIS A 27 16.607 2.606 -3.421 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.728 3.098 -6.444 1.00 0.00 H new ATOM 0 HE1 HIS A 27 17.862 2.931 -5.619 1.00 0.00 H new ATOM 466 N LYS A 28 14.190 4.886 -1.200 1.00 0.00 N ATOM 467 CA LYS A 28 14.726 6.216 -0.772 1.00 0.00 C ATOM 468 C LYS A 28 15.343 6.074 0.625 1.00 0.00 C ATOM 469 O LYS A 28 16.366 6.669 0.904 1.00 0.00 O ATOM 470 CB LYS A 28 13.538 7.186 -0.746 1.00 0.00 C ATOM 471 CG LYS A 28 13.628 8.153 -1.931 1.00 0.00 C ATOM 472 CD LYS A 28 12.749 7.658 -3.085 1.00 0.00 C ATOM 473 CE LYS A 28 13.538 6.683 -3.967 1.00 0.00 C ATOM 474 NZ LYS A 28 12.522 5.826 -4.645 1.00 0.00 N ATOM 0 H LYS A 28 13.181 4.781 -1.090 1.00 0.00 H new ATOM 0 HA LYS A 28 15.497 6.584 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.602 6.629 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.533 7.744 0.190 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.309 9.149 -1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.663 8.238 -2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.860 7.166 -2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.407 8.504 -3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.144 7.220 -4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.220 6.080 -3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.004 5.096 -5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.920 5.370 -3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.934 6.413 -5.270 1.00 0.00 H new ATOM 488 N ARG A 29 14.731 5.291 1.490 1.00 0.00 N ATOM 489 CA ARG A 29 15.263 5.089 2.878 1.00 0.00 C ATOM 490 C ARG A 29 16.634 4.385 2.892 1.00 0.00 C ATOM 491 O ARG A 29 17.302 4.412 3.911 1.00 0.00 O ATOM 492 CB ARG A 29 14.223 4.241 3.619 1.00 0.00 C ATOM 493 CG ARG A 29 14.245 4.580 5.114 1.00 0.00 C ATOM 494 CD ARG A 29 14.270 3.294 5.951 1.00 0.00 C ATOM 495 NE ARG A 29 15.363 3.487 6.949 1.00 0.00 N ATOM 496 CZ ARG A 29 16.236 2.538 7.170 1.00 0.00 C ATOM 497 NH1 ARG A 29 15.870 1.438 7.785 1.00 0.00 N ATOM 498 NH2 ARG A 29 17.471 2.705 6.770 1.00 0.00 N ATOM 0 H ARG A 29 13.873 4.777 1.287 1.00 0.00 H new ATOM 0 HA ARG A 29 15.422 6.056 3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.230 4.427 3.209 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.434 3.182 3.474 1.00 0.00 H new ATOM 0 HG2 ARG A 29 15.120 5.188 5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.368 5.173 5.372 1.00 0.00 H new ATOM 0 HD2 ARG A 29 13.313 3.129 6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 29 14.460 2.422 5.325 1.00 0.00 H new ATOM 0 HE ARG A 29 15.430 4.366 7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.904 1.322 8.091 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.552 0.699 7.957 1.00 0.00 H new ATOM 0 HH21 ARG A 29 17.741 3.566 6.294 1.00 0.00 H new ATOM 0 HH22 ARG A 29 18.164 1.975 6.935 1.00 0.00 H new ATOM 512 N GLU A 30 17.060 3.765 1.813 1.00 0.00 N ATOM 513 CA GLU A 30 18.389 3.074 1.801 1.00 0.00 C ATOM 514 C GLU A 30 19.527 4.062 1.486 1.00 0.00 C ATOM 515 O GLU A 30 20.595 3.955 2.060 1.00 0.00 O ATOM 516 CB GLU A 30 18.288 1.977 0.734 1.00 0.00 C ATOM 517 CG GLU A 30 19.240 0.826 1.085 1.00 0.00 C ATOM 518 CD GLU A 30 20.266 0.604 -0.031 1.00 0.00 C ATOM 519 OE1 GLU A 30 21.005 1.529 -0.333 1.00 0.00 O ATOM 520 OE2 GLU A 30 20.301 -0.493 -0.566 1.00 0.00 O ATOM 0 H GLU A 30 16.540 3.709 0.937 1.00 0.00 H new ATOM 0 HA GLU A 30 18.623 2.650 2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.264 1.609 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.540 2.384 -0.245 1.00 0.00 H new ATOM 0 HG2 GLU A 30 19.756 1.048 2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.668 -0.088 1.246 1.00 0.00 H new ATOM 527 N ASN A 31 19.319 5.012 0.599 1.00 0.00 N ATOM 528 CA ASN A 31 20.390 6.006 0.252 1.00 0.00 C ATOM 529 C ASN A 31 20.088 7.374 0.893 1.00 0.00 C ATOM 530 O ASN A 31 20.185 8.405 0.246 1.00 0.00 O ATOM 531 CB ASN A 31 20.377 6.078 -1.283 1.00 0.00 C ATOM 532 CG ASN A 31 21.758 6.466 -1.823 1.00 0.00 C ATOM 533 OD1 ASN A 31 22.443 5.648 -2.402 1.00 0.00 O ATOM 534 ND2 ASN A 31 22.209 7.683 -1.665 1.00 0.00 N ATOM 0 H ASN A 31 18.442 5.142 0.095 1.00 0.00 H new ATOM 0 HA ASN A 31 21.371 5.714 0.628 1.00 0.00 H new ATOM 0 HB2 ASN A 31 20.079 5.113 -1.694 1.00 0.00 H new ATOM 0 HB3 ASN A 31 19.636 6.807 -1.611 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.128 7.937 -2.027 1.00 0.00 H new ATOM 0 HD22 ASN A 31 21.642 8.378 -1.180 1.00 0.00 H new ATOM 541 N ALA A 32 19.722 7.394 2.154 1.00 0.00 N ATOM 542 CA ALA A 32 19.408 8.683 2.852 1.00 0.00 C ATOM 543 C ALA A 32 20.597 9.160 3.709 1.00 0.00 C ATOM 544 O ALA A 32 21.731 8.788 3.462 1.00 0.00 O ATOM 545 CB ALA A 32 18.169 8.364 3.699 1.00 0.00 C ATOM 0 H ALA A 32 19.626 6.562 2.736 1.00 0.00 H new ATOM 0 HA ALA A 32 19.221 9.502 2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 32 17.865 9.255 4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 32 17.356 8.044 3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 32 18.405 7.566 4.403 1.00 0.00 H new ATOM 551 N LYS A 33 20.344 9.974 4.710 1.00 0.00 N ATOM 552 CA LYS A 33 21.439 10.482 5.598 1.00 0.00 C ATOM 553 C LYS A 33 21.365 9.799 6.977 1.00 0.00 C ATOM 554 O LYS A 33 21.495 10.442 8.005 1.00 0.00 O ATOM 555 CB LYS A 33 21.263 12.012 5.669 1.00 0.00 C ATOM 556 CG LYS A 33 19.974 12.419 6.399 1.00 0.00 C ATOM 557 CD LYS A 33 19.726 13.921 6.213 1.00 0.00 C ATOM 558 CE LYS A 33 18.286 14.270 6.613 1.00 0.00 C ATOM 559 NZ LYS A 33 17.425 13.979 5.426 1.00 0.00 N ATOM 0 H LYS A 33 19.412 10.311 4.951 1.00 0.00 H new ATOM 0 HA LYS A 33 22.431 10.249 5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 33 22.121 12.451 6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 33 21.250 12.421 4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.129 11.850 6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 33 20.056 12.183 7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.429 14.492 6.820 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.901 14.201 5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.970 13.680 7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.208 15.319 6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 16.456 13.771 5.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.413 14.806 4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.806 13.158 4.914 1.00 0.00 H new ATOM 573 N GLU A 34 21.159 8.500 6.995 1.00 0.00 N ATOM 574 CA GLU A 34 21.069 7.734 8.280 1.00 0.00 C ATOM 575 C GLU A 34 22.417 7.062 8.594 1.00 0.00 C ATOM 576 O GLU A 34 22.943 7.318 9.666 1.00 0.00 O ATOM 577 CB GLU A 34 19.955 6.697 8.068 1.00 0.00 C ATOM 578 CG GLU A 34 18.617 7.217 8.612 1.00 0.00 C ATOM 579 CD GLU A 34 17.461 6.912 7.647 1.00 0.00 C ATOM 580 OE1 GLU A 34 17.240 5.748 7.346 1.00 0.00 O ATOM 581 OE2 GLU A 34 16.803 7.848 7.222 1.00 0.00 O ATOM 582 OXT GLU A 34 22.908 6.304 7.768 1.00 0.00 O ATOM 0 H GLU A 34 21.048 7.930 6.157 1.00 0.00 H new ATOM 0 HA GLU A 34 20.842 8.379 9.129 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.858 6.472 7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 34 20.219 5.765 8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.414 6.760 9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.682 8.293 8.775 1.00 0.00 H new TER 589 GLU A 34