USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=8 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+ -156:sc= 0.192 (180deg=0.0298) USER MOD Single : A 1 CYS SG : rot 180:sc= -0.685 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+ -165:sc= -0.136 (180deg=-0.669) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0133) USER MOD Single : A 21 SER OG : rot 79:sc= 0.0984 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 83:sc= 0.0884 USER MOD Single : A 27 HIS : no HD1:sc= -0.02 X(o=-0.02,f=-0.12) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -29.074 -2.683 -6.550 1.00 0.00 N ATOM 2 CA CYS A 1 -27.772 -3.176 -7.103 1.00 0.00 C ATOM 3 C CYS A 1 -26.964 -3.991 -6.078 1.00 0.00 C ATOM 4 O CYS A 1 -26.315 -4.943 -6.467 1.00 0.00 O ATOM 5 CB CYS A 1 -26.992 -1.947 -7.597 1.00 0.00 C ATOM 6 SG CYS A 1 -26.550 -0.835 -6.235 1.00 0.00 S ATOM 0 H1 CYS A 1 -29.740 -2.512 -7.330 1.00 0.00 H new ATOM 0 H2 CYS A 1 -29.471 -3.397 -5.907 1.00 0.00 H new ATOM 0 H3 CYS A 1 -28.916 -1.797 -6.029 1.00 0.00 H new ATOM 0 HA CYS A 1 -27.960 -3.866 -7.925 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -26.086 -2.273 -8.108 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -27.593 -1.405 -8.328 1.00 0.00 H new ATOM 0 HG CYS A 1 -25.892 0.184 -6.703 1.00 0.00 H new ATOM 14 N ALA A 2 -26.994 -3.644 -4.805 1.00 0.00 N ATOM 15 CA ALA A 2 -26.239 -4.385 -3.738 1.00 0.00 C ATOM 16 C ALA A 2 -24.756 -4.581 -4.102 1.00 0.00 C ATOM 17 O ALA A 2 -24.268 -5.694 -4.197 1.00 0.00 O ATOM 18 CB ALA A 2 -26.972 -5.721 -3.565 1.00 0.00 C ATOM 0 H ALA A 2 -27.530 -2.850 -4.454 1.00 0.00 H new ATOM 0 HA ALA A 2 -26.220 -3.820 -2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -26.472 -6.314 -2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -28.003 -5.534 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -26.962 -6.266 -4.509 1.00 0.00 H new ATOM 24 N VAL A 3 -24.044 -3.496 -4.304 1.00 0.00 N ATOM 25 CA VAL A 3 -22.590 -3.564 -4.661 1.00 0.00 C ATOM 26 C VAL A 3 -21.842 -2.299 -4.208 1.00 0.00 C ATOM 27 O VAL A 3 -20.801 -2.415 -3.587 1.00 0.00 O ATOM 28 CB VAL A 3 -22.511 -3.804 -6.184 1.00 0.00 C ATOM 29 CG1 VAL A 3 -23.185 -2.691 -6.997 1.00 0.00 C ATOM 30 CG2 VAL A 3 -21.045 -3.918 -6.618 1.00 0.00 C ATOM 0 H VAL A 3 -24.417 -2.549 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 3 -22.093 -4.382 -4.140 1.00 0.00 H new ATOM 0 HB VAL A 3 -23.047 -4.732 -6.384 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -23.098 -2.914 -8.060 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -24.238 -2.628 -6.724 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -22.698 -1.739 -6.785 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -20.996 -4.087 -7.694 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -20.520 -2.995 -6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -20.575 -4.753 -6.098 1.00 0.00 H new ATOM 40 N GLU A 4 -22.339 -1.117 -4.498 1.00 0.00 N ATOM 41 CA GLU A 4 -21.641 0.140 -4.074 1.00 0.00 C ATOM 42 C GLU A 4 -22.363 0.792 -2.881 1.00 0.00 C ATOM 43 O GLU A 4 -22.611 1.986 -2.866 1.00 0.00 O ATOM 44 CB GLU A 4 -21.647 1.041 -5.316 1.00 0.00 C ATOM 45 CG GLU A 4 -20.412 0.749 -6.175 1.00 0.00 C ATOM 46 CD GLU A 4 -20.694 1.130 -7.631 1.00 0.00 C ATOM 47 OE1 GLU A 4 -20.536 2.294 -7.963 1.00 0.00 O ATOM 48 OE2 GLU A 4 -21.064 0.248 -8.389 1.00 0.00 O ATOM 0 H GLU A 4 -23.206 -0.970 -5.015 1.00 0.00 H new ATOM 0 HA GLU A 4 -20.624 -0.047 -3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -22.554 0.870 -5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -21.653 2.089 -5.016 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -19.556 1.311 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -20.153 -0.308 -6.109 1.00 0.00 H new ATOM 55 N LEU A 5 -22.700 0.012 -1.878 1.00 0.00 N ATOM 56 CA LEU A 5 -23.405 0.548 -0.666 1.00 0.00 C ATOM 57 C LEU A 5 -23.245 -0.364 0.570 1.00 0.00 C ATOM 58 O LEU A 5 -24.153 -0.465 1.378 1.00 0.00 O ATOM 59 CB LEU A 5 -24.882 0.699 -1.073 1.00 0.00 C ATOM 60 CG LEU A 5 -25.480 -0.631 -1.559 1.00 0.00 C ATOM 61 CD1 LEU A 5 -26.804 -0.902 -0.842 1.00 0.00 C ATOM 62 CD2 LEU A 5 -25.739 -0.557 -3.066 1.00 0.00 C ATOM 0 H LEU A 5 -22.513 -0.990 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 5 -22.972 1.501 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -25.457 1.067 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -24.967 1.446 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 5 -24.776 -1.434 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -27.221 -1.846 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -26.631 -0.958 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -27.505 -0.095 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -26.163 -1.501 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -26.438 0.252 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -24.800 -0.370 -3.588 1.00 0.00 H new ATOM 74 N ARG A 6 -22.116 -1.021 0.733 1.00 0.00 N ATOM 75 CA ARG A 6 -21.893 -1.923 1.914 1.00 0.00 C ATOM 76 C ARG A 6 -20.395 -2.089 2.219 1.00 0.00 C ATOM 77 O ARG A 6 -19.981 -1.971 3.357 1.00 0.00 O ATOM 78 CB ARG A 6 -22.516 -3.274 1.539 1.00 0.00 C ATOM 79 CG ARG A 6 -22.753 -4.109 2.804 1.00 0.00 C ATOM 80 CD ARG A 6 -21.639 -5.149 2.981 1.00 0.00 C ATOM 81 NE ARG A 6 -21.386 -5.238 4.452 1.00 0.00 N ATOM 82 CZ ARG A 6 -22.246 -5.829 5.243 1.00 0.00 C ATOM 83 NH1 ARG A 6 -22.239 -7.132 5.346 1.00 0.00 N ATOM 84 NH2 ARG A 6 -23.101 -5.106 5.921 1.00 0.00 N ATOM 0 H ARG A 6 -21.328 -0.969 0.087 1.00 0.00 H new ATOM 0 HA ARG A 6 -22.346 -1.504 2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -23.459 -3.117 1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -21.857 -3.811 0.856 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -22.790 -3.456 3.676 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -23.719 -4.610 2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -21.941 -6.116 2.578 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -20.737 -4.849 2.448 1.00 0.00 H new ATOM 0 HE ARG A 6 -20.535 -4.834 4.843 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -21.566 -7.682 4.812 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -22.906 -7.599 5.960 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -23.094 -4.090 5.831 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -23.774 -5.559 6.539 1.00 0.00 H new ATOM 98 N SER A 7 -19.601 -2.364 1.212 1.00 0.00 N ATOM 99 CA SER A 7 -18.127 -2.551 1.386 1.00 0.00 C ATOM 100 C SER A 7 -17.389 -1.715 0.329 1.00 0.00 C ATOM 101 O SER A 7 -17.774 -1.740 -0.827 1.00 0.00 O ATOM 102 CB SER A 7 -17.841 -4.051 1.207 1.00 0.00 C ATOM 103 OG SER A 7 -18.853 -4.684 0.426 1.00 0.00 O ATOM 0 H SER A 7 -19.924 -2.469 0.250 1.00 0.00 H new ATOM 0 HA SER A 7 -17.787 -2.224 2.368 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.872 -4.183 0.726 1.00 0.00 H new ATOM 0 HB3 SER A 7 -17.780 -4.530 2.184 1.00 0.00 H new ATOM 0 HG SER A 7 -18.643 -5.636 0.328 1.00 0.00 H new ATOM 109 N PRO A 8 -16.364 -0.998 0.738 1.00 0.00 N ATOM 110 CA PRO A 8 -15.590 -0.148 -0.217 1.00 0.00 C ATOM 111 C PRO A 8 -14.742 -0.996 -1.180 1.00 0.00 C ATOM 112 O PRO A 8 -14.094 -1.942 -0.766 1.00 0.00 O ATOM 113 CB PRO A 8 -14.719 0.717 0.693 1.00 0.00 C ATOM 114 CG PRO A 8 -14.574 -0.065 1.953 1.00 0.00 C ATOM 115 CD PRO A 8 -15.818 -0.894 2.103 1.00 0.00 C ATOM 0 HA PRO A 8 -16.235 0.444 -0.867 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -13.748 0.914 0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -15.185 1.684 0.881 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.690 -0.701 1.912 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.449 0.600 2.807 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.591 -1.877 2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.530 -0.421 2.780 1.00 0.00 H new ATOM 123 N GLY A 9 -14.751 -0.655 -2.449 1.00 0.00 N ATOM 124 CA GLY A 9 -13.965 -1.407 -3.476 1.00 0.00 C ATOM 125 C GLY A 9 -12.630 -0.703 -3.745 1.00 0.00 C ATOM 126 O GLY A 9 -11.593 -1.339 -3.739 1.00 0.00 O ATOM 0 H GLY A 9 -15.283 0.131 -2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.784 -2.425 -3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.538 -1.480 -4.400 1.00 0.00 H new ATOM 130 N ILE A 10 -12.652 0.594 -3.974 1.00 0.00 N ATOM 131 CA ILE A 10 -11.395 1.364 -4.242 1.00 0.00 C ATOM 132 C ILE A 10 -10.392 1.216 -3.084 1.00 0.00 C ATOM 133 O ILE A 10 -9.206 1.138 -3.331 1.00 0.00 O ATOM 134 CB ILE A 10 -11.815 2.828 -4.468 1.00 0.00 C ATOM 135 CG1 ILE A 10 -10.592 3.610 -4.963 1.00 0.00 C ATOM 136 CG2 ILE A 10 -12.375 3.464 -3.185 1.00 0.00 C ATOM 137 CD1 ILE A 10 -10.886 5.112 -5.042 1.00 0.00 C ATOM 0 H ILE A 10 -13.503 1.157 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.879 0.982 -5.122 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.612 2.859 -5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.751 3.437 -4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -10.296 3.243 -5.946 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -12.660 4.497 -3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -13.249 2.904 -2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -11.613 3.443 -2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -9.999 5.638 -5.396 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -11.711 5.285 -5.733 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -11.157 5.482 -4.053 1.00 0.00 H new ATOM 149 N SER A 11 -10.846 1.171 -1.849 1.00 0.00 N ATOM 150 CA SER A 11 -9.915 1.023 -0.679 1.00 0.00 C ATOM 151 C SER A 11 -9.168 -0.316 -0.761 1.00 0.00 C ATOM 152 O SER A 11 -8.009 -0.385 -0.397 1.00 0.00 O ATOM 153 CB SER A 11 -10.788 1.112 0.576 1.00 0.00 C ATOM 154 OG SER A 11 -10.003 1.577 1.668 1.00 0.00 O ATOM 0 H SER A 11 -11.833 1.231 -1.600 1.00 0.00 H new ATOM 0 HA SER A 11 -9.151 1.800 -0.665 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.625 1.788 0.402 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.210 0.134 0.808 1.00 0.00 H new ATOM 0 HG SER A 11 -10.562 1.636 2.471 1.00 0.00 H new ATOM 160 N ARG A 12 -9.813 -1.358 -1.246 1.00 0.00 N ATOM 161 CA ARG A 12 -9.145 -2.692 -1.376 1.00 0.00 C ATOM 162 C ARG A 12 -8.099 -2.573 -2.495 1.00 0.00 C ATOM 163 O ARG A 12 -7.010 -3.102 -2.376 1.00 0.00 O ATOM 164 CB ARG A 12 -10.232 -3.714 -1.741 1.00 0.00 C ATOM 165 CG ARG A 12 -10.412 -4.722 -0.600 1.00 0.00 C ATOM 166 CD ARG A 12 -9.399 -5.867 -0.733 1.00 0.00 C ATOM 167 NE ARG A 12 -10.101 -6.966 -1.462 1.00 0.00 N ATOM 168 CZ ARG A 12 -9.551 -8.148 -1.552 1.00 0.00 C ATOM 169 NH1 ARG A 12 -9.542 -8.941 -0.511 1.00 0.00 N ATOM 170 NH2 ARG A 12 -9.017 -8.526 -2.685 1.00 0.00 N ATOM 0 H ARG A 12 -10.783 -1.336 -1.559 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.651 -3.008 -0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.174 -3.201 -1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.958 -4.236 -2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.281 -4.222 0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.426 -5.121 -0.616 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.514 -5.541 -1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.062 -6.204 0.247 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.011 -6.794 -1.890 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.963 -8.636 0.366 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.114 -9.864 -0.577 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.032 -7.900 -3.490 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.586 -9.447 -2.763 1.00 0.00 H new ATOM 184 N PHE A 13 -8.423 -1.875 -3.565 1.00 0.00 N ATOM 185 CA PHE A 13 -7.469 -1.685 -4.705 1.00 0.00 C ATOM 186 C PHE A 13 -6.330 -0.761 -4.235 1.00 0.00 C ATOM 187 O PHE A 13 -5.185 -0.969 -4.596 1.00 0.00 O ATOM 188 CB PHE A 13 -8.317 -1.110 -5.862 1.00 0.00 C ATOM 189 CG PHE A 13 -7.667 0.073 -6.553 1.00 0.00 C ATOM 190 CD1 PHE A 13 -6.598 -0.121 -7.437 1.00 0.00 C ATOM 191 CD2 PHE A 13 -8.138 1.366 -6.302 1.00 0.00 C ATOM 192 CE1 PHE A 13 -6.005 0.978 -8.068 1.00 0.00 C ATOM 193 CE2 PHE A 13 -7.546 2.465 -6.932 1.00 0.00 C ATOM 194 CZ PHE A 13 -6.479 2.271 -7.815 1.00 0.00 C ATOM 0 H PHE A 13 -9.327 -1.422 -3.695 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.986 -2.600 -5.048 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.498 -1.896 -6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.289 -0.806 -5.474 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.232 -1.118 -7.631 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -8.961 1.516 -5.619 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.181 0.829 -8.750 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -7.912 3.462 -6.737 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.020 3.119 -8.302 1.00 0.00 H new ATOM 204 N ARG A 14 -6.644 0.239 -3.432 1.00 0.00 N ATOM 205 CA ARG A 14 -5.612 1.193 -2.905 1.00 0.00 C ATOM 206 C ARG A 14 -4.531 0.417 -2.137 1.00 0.00 C ATOM 207 O ARG A 14 -3.379 0.799 -2.159 1.00 0.00 O ATOM 208 CB ARG A 14 -6.349 2.162 -1.968 1.00 0.00 C ATOM 209 CG ARG A 14 -6.928 3.335 -2.767 1.00 0.00 C ATOM 210 CD ARG A 14 -7.962 4.094 -1.922 1.00 0.00 C ATOM 211 NE ARG A 14 -7.647 5.547 -2.091 1.00 0.00 N ATOM 212 CZ ARG A 14 -7.271 6.275 -1.069 1.00 0.00 C ATOM 213 NH1 ARG A 14 -6.154 5.995 -0.448 1.00 0.00 N ATOM 214 NH2 ARG A 14 -8.011 7.282 -0.677 1.00 0.00 N ATOM 0 H ARG A 14 -7.594 0.434 -3.116 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.119 1.735 -3.712 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.150 1.637 -1.447 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.664 2.534 -1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.127 4.010 -3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.394 2.967 -3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.976 3.873 -2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.900 3.801 -0.874 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.726 5.976 -3.013 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.579 5.212 -0.760 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.858 6.560 0.348 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.879 7.498 -1.167 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.720 7.850 0.119 1.00 0.00 H new ATOM 228 N ARG A 15 -4.888 -0.666 -1.475 1.00 0.00 N ATOM 229 CA ARG A 15 -3.886 -1.482 -0.711 1.00 0.00 C ATOM 230 C ARG A 15 -2.815 -1.993 -1.685 1.00 0.00 C ATOM 231 O ARG A 15 -1.644 -2.008 -1.353 1.00 0.00 O ATOM 232 CB ARG A 15 -4.624 -2.678 -0.092 1.00 0.00 C ATOM 233 CG ARG A 15 -5.752 -2.226 0.843 1.00 0.00 C ATOM 234 CD ARG A 15 -5.210 -1.848 2.226 1.00 0.00 C ATOM 235 NE ARG A 15 -6.409 -1.860 3.113 1.00 0.00 N ATOM 236 CZ ARG A 15 -6.891 -0.746 3.606 1.00 0.00 C ATOM 237 NH1 ARG A 15 -7.660 0.023 2.876 1.00 0.00 N ATOM 238 NH2 ARG A 15 -6.594 -0.409 4.833 1.00 0.00 N ATOM 0 H ARG A 15 -5.843 -1.021 -1.433 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.412 -0.884 0.068 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.037 -3.301 -0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.917 -3.295 0.463 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.269 -1.371 0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.486 -3.025 0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.458 -2.560 2.566 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.736 -0.866 2.212 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.859 -2.747 3.339 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.887 -0.244 1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.032 0.889 3.265 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.993 -1.011 5.396 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.963 0.456 5.228 1.00 0.00 H new ATOM 252 N LYS A 16 -3.215 -2.397 -2.873 1.00 0.00 N ATOM 253 CA LYS A 16 -2.240 -2.901 -3.890 1.00 0.00 C ATOM 254 C LYS A 16 -1.372 -1.734 -4.375 1.00 0.00 C ATOM 255 O LYS A 16 -0.162 -1.864 -4.422 1.00 0.00 O ATOM 256 CB LYS A 16 -3.082 -3.500 -5.025 1.00 0.00 C ATOM 257 CG LYS A 16 -2.175 -4.139 -6.082 1.00 0.00 C ATOM 258 CD LYS A 16 -2.987 -5.042 -7.023 1.00 0.00 C ATOM 259 CE LYS A 16 -3.630 -6.232 -6.290 1.00 0.00 C ATOM 260 NZ LYS A 16 -2.588 -6.880 -5.434 1.00 0.00 N ATOM 0 H LYS A 16 -4.188 -2.397 -3.180 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.564 -3.656 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.766 -4.248 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.693 -2.722 -5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.676 -3.360 -6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.395 -4.723 -5.594 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.767 -4.452 -7.504 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.336 -5.415 -7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.466 -5.893 -5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.030 -6.948 -7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.920 -7.818 -5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.707 -6.982 -5.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.411 -6.290 -4.596 1.00 0.00 H new ATOM 274 N ILE A 17 -1.971 -0.615 -4.721 1.00 0.00 N ATOM 275 CA ILE A 17 -1.181 0.565 -5.191 1.00 0.00 C ATOM 276 C ILE A 17 -0.250 1.014 -4.049 1.00 0.00 C ATOM 277 O ILE A 17 0.877 1.397 -4.295 1.00 0.00 O ATOM 278 CB ILE A 17 -2.219 1.613 -5.644 1.00 0.00 C ATOM 279 CG1 ILE A 17 -1.776 2.169 -7.000 1.00 0.00 C ATOM 280 CG2 ILE A 17 -2.389 2.774 -4.653 1.00 0.00 C ATOM 281 CD1 ILE A 17 -2.946 2.877 -7.690 1.00 0.00 C ATOM 0 H ILE A 17 -2.981 -0.471 -4.696 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.521 0.364 -6.035 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.186 1.113 -5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.950 2.866 -6.863 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.409 1.359 -7.631 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.133 3.472 -5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.718 2.385 -3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.437 3.290 -4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.618 3.268 -8.653 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.760 2.169 -7.844 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.294 3.699 -7.064 1.00 0.00 H new ATOM 293 N ALA A 18 -0.715 0.947 -2.817 1.00 0.00 N ATOM 294 CA ALA A 18 0.117 1.341 -1.639 1.00 0.00 C ATOM 295 C ALA A 18 1.276 0.344 -1.502 1.00 0.00 C ATOM 296 O ALA A 18 2.377 0.751 -1.184 1.00 0.00 O ATOM 297 CB ALA A 18 -0.803 1.287 -0.415 1.00 0.00 C ATOM 0 H ALA A 18 -1.655 0.629 -2.580 1.00 0.00 H new ATOM 0 HA ALA A 18 0.540 2.340 -1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.241 1.568 0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.633 1.980 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.191 0.275 -0.296 1.00 0.00 H new ATOM 303 N LYS A 19 1.046 -0.932 -1.750 1.00 0.00 N ATOM 304 CA LYS A 19 2.136 -1.961 -1.654 1.00 0.00 C ATOM 305 C LYS A 19 3.268 -1.569 -2.620 1.00 0.00 C ATOM 306 O LYS A 19 4.437 -1.719 -2.309 1.00 0.00 O ATOM 307 CB LYS A 19 1.497 -3.290 -2.080 1.00 0.00 C ATOM 308 CG LYS A 19 2.424 -4.470 -1.755 1.00 0.00 C ATOM 309 CD LYS A 19 1.708 -5.464 -0.831 1.00 0.00 C ATOM 310 CE LYS A 19 1.609 -6.847 -1.492 1.00 0.00 C ATOM 311 NZ LYS A 19 0.600 -6.747 -2.593 1.00 0.00 N ATOM 0 H LYS A 19 0.136 -1.305 -2.018 1.00 0.00 H new ATOM 0 HA LYS A 19 2.556 -2.038 -0.651 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.543 -3.420 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.286 -3.271 -3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.726 -4.970 -2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.334 -4.107 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.248 -5.544 0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.709 -5.095 -0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.578 -7.154 -1.886 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.308 -7.600 -0.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.445 -7.688 -3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.297 -6.385 -2.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.950 -6.098 -3.327 1.00 0.00 H new ATOM 325 N ARG A 20 2.908 -1.057 -3.779 1.00 0.00 N ATOM 326 CA ARG A 20 3.920 -0.625 -4.794 1.00 0.00 C ATOM 327 C ARG A 20 4.596 0.654 -4.280 1.00 0.00 C ATOM 328 O ARG A 20 5.801 0.800 -4.382 1.00 0.00 O ATOM 329 CB ARG A 20 3.156 -0.345 -6.098 1.00 0.00 C ATOM 330 CG ARG A 20 2.431 -1.601 -6.605 1.00 0.00 C ATOM 331 CD ARG A 20 3.424 -2.552 -7.284 1.00 0.00 C ATOM 332 NE ARG A 20 2.697 -3.182 -8.428 1.00 0.00 N ATOM 333 CZ ARG A 20 3.315 -4.053 -9.178 1.00 0.00 C ATOM 334 NH1 ARG A 20 4.058 -3.633 -10.170 1.00 0.00 N ATOM 335 NH2 ARG A 20 3.190 -5.332 -8.934 1.00 0.00 N ATOM 0 H ARG A 20 1.939 -0.920 -4.065 1.00 0.00 H new ATOM 0 HA ARG A 20 4.684 -1.383 -4.966 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.432 0.453 -5.933 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.851 0.008 -6.860 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.943 -2.108 -5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.649 -1.318 -7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.302 -2.010 -7.634 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.776 -3.310 -6.584 1.00 0.00 H new ATOM 0 HE ARG A 20 1.727 -2.933 -8.621 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.150 -2.633 -10.351 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.545 -4.305 -10.762 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.609 -5.649 -8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.673 -6.013 -9.520 1.00 0.00 H new ATOM 349 N SER A 21 3.821 1.565 -3.725 1.00 0.00 N ATOM 350 CA SER A 21 4.373 2.847 -3.182 1.00 0.00 C ATOM 351 C SER A 21 5.296 2.560 -1.990 1.00 0.00 C ATOM 352 O SER A 21 6.371 3.122 -1.910 1.00 0.00 O ATOM 353 CB SER A 21 3.173 3.675 -2.715 1.00 0.00 C ATOM 354 OG SER A 21 2.436 4.122 -3.845 1.00 0.00 O ATOM 0 H SER A 21 2.811 1.467 -3.626 1.00 0.00 H new ATOM 0 HA SER A 21 4.953 3.375 -3.939 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.535 3.076 -2.065 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.513 4.529 -2.129 1.00 0.00 H new ATOM 0 HG SER A 21 1.870 3.393 -4.176 1.00 0.00 H new ATOM 360 N ILE A 22 4.878 1.699 -1.087 1.00 0.00 N ATOM 361 CA ILE A 22 5.695 1.339 0.119 1.00 0.00 C ATOM 362 C ILE A 22 7.070 0.814 -0.320 1.00 0.00 C ATOM 363 O ILE A 22 8.067 1.205 0.254 1.00 0.00 O ATOM 364 CB ILE A 22 4.880 0.281 0.889 1.00 0.00 C ATOM 365 CG1 ILE A 22 3.726 0.962 1.636 1.00 0.00 C ATOM 366 CG2 ILE A 22 5.752 -0.455 1.915 1.00 0.00 C ATOM 367 CD1 ILE A 22 2.604 -0.045 1.909 1.00 0.00 C ATOM 0 H ILE A 22 3.980 1.219 -1.139 1.00 0.00 H new ATOM 0 HA ILE A 22 5.889 2.198 0.762 1.00 0.00 H new ATOM 0 HB ILE A 22 4.499 -0.438 0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.087 1.378 2.576 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.342 1.794 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.149 -1.194 2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.573 -0.956 1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.154 0.261 2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.791 0.451 2.440 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.232 -0.441 0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.989 -0.863 2.518 1.00 0.00 H new ATOM 379 N LYS A 23 7.122 -0.044 -1.320 1.00 0.00 N ATOM 380 CA LYS A 23 8.429 -0.594 -1.811 1.00 0.00 C ATOM 381 C LYS A 23 9.282 0.531 -2.410 1.00 0.00 C ATOM 382 O LYS A 23 10.456 0.627 -2.104 1.00 0.00 O ATOM 383 CB LYS A 23 8.098 -1.655 -2.868 1.00 0.00 C ATOM 384 CG LYS A 23 7.944 -3.020 -2.192 1.00 0.00 C ATOM 385 CD LYS A 23 8.170 -4.147 -3.205 1.00 0.00 C ATOM 386 CE LYS A 23 6.916 -4.329 -4.069 1.00 0.00 C ATOM 387 NZ LYS A 23 7.006 -5.689 -4.682 1.00 0.00 N ATOM 0 H LYS A 23 6.303 -0.389 -1.821 1.00 0.00 H new ATOM 0 HA LYS A 23 9.003 -1.036 -0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.178 -1.390 -3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.888 -1.696 -3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.658 -3.110 -1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.948 -3.107 -1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.027 -3.914 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.401 -5.076 -2.684 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.014 -4.237 -3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.863 -3.560 -4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.172 -5.856 -5.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.866 -5.752 -5.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.043 -6.407 -3.930 1.00 0.00 H new ATOM 401 N THR A 24 8.708 1.379 -3.237 1.00 0.00 N ATOM 402 CA THR A 24 9.494 2.506 -3.837 1.00 0.00 C ATOM 403 C THR A 24 9.931 3.431 -2.690 1.00 0.00 C ATOM 404 O THR A 24 11.057 3.898 -2.668 1.00 0.00 O ATOM 405 CB THR A 24 8.559 3.220 -4.827 1.00 0.00 C ATOM 406 OG1 THR A 24 8.196 2.314 -5.862 1.00 0.00 O ATOM 407 CG2 THR A 24 9.258 4.425 -5.462 1.00 0.00 C ATOM 0 H THR A 24 7.729 1.338 -3.521 1.00 0.00 H new ATOM 0 HA THR A 24 10.387 2.175 -4.366 1.00 0.00 H new ATOM 0 HB THR A 24 7.678 3.562 -4.284 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.450 1.754 -5.560 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.578 4.915 -6.159 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.548 5.130 -4.683 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.146 4.090 -5.997 1.00 0.00 H new ATOM 415 N LEU A 25 9.047 3.678 -1.746 1.00 0.00 N ATOM 416 CA LEU A 25 9.374 4.552 -0.580 1.00 0.00 C ATOM 417 C LEU A 25 10.478 3.878 0.243 1.00 0.00 C ATOM 418 O LEU A 25 11.412 4.544 0.634 1.00 0.00 O ATOM 419 CB LEU A 25 8.082 4.692 0.236 1.00 0.00 C ATOM 420 CG LEU A 25 8.124 5.984 1.056 1.00 0.00 C ATOM 421 CD1 LEU A 25 7.760 7.178 0.168 1.00 0.00 C ATOM 422 CD2 LEU A 25 7.122 5.886 2.209 1.00 0.00 C ATOM 0 H LEU A 25 8.099 3.302 -1.740 1.00 0.00 H new ATOM 0 HA LEU A 25 9.733 5.535 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.219 4.701 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.964 3.834 0.898 1.00 0.00 H new ATOM 0 HG LEU A 25 9.130 6.125 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.792 8.094 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.473 7.251 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.756 7.040 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.150 6.805 2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.119 5.742 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.383 5.041 2.847 1.00 0.00 H new ATOM 434 N GLU A 26 10.382 2.589 0.490 1.00 0.00 N ATOM 435 CA GLU A 26 11.426 1.857 1.280 1.00 0.00 C ATOM 436 C GLU A 26 12.800 2.049 0.627 1.00 0.00 C ATOM 437 O GLU A 26 13.775 2.246 1.326 1.00 0.00 O ATOM 438 CB GLU A 26 11.024 0.377 1.291 1.00 0.00 C ATOM 439 CG GLU A 26 10.033 0.128 2.433 1.00 0.00 C ATOM 440 CD GLU A 26 10.768 -0.342 3.693 1.00 0.00 C ATOM 441 OE1 GLU A 26 11.522 0.440 4.253 1.00 0.00 O ATOM 442 OE2 GLU A 26 10.561 -1.481 4.079 1.00 0.00 O ATOM 0 H GLU A 26 9.609 2.005 0.171 1.00 0.00 H new ATOM 0 HA GLU A 26 11.493 2.236 2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.573 0.104 0.337 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.907 -0.250 1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.480 1.043 2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.302 -0.622 2.131 1.00 0.00 H new ATOM 449 N HIS A 27 12.876 2.009 -0.687 1.00 0.00 N ATOM 450 CA HIS A 27 14.181 2.204 -1.398 1.00 0.00 C ATOM 451 C HIS A 27 14.689 3.627 -1.110 1.00 0.00 C ATOM 452 O HIS A 27 15.852 3.826 -0.817 1.00 0.00 O ATOM 453 CB HIS A 27 13.876 2.011 -2.889 1.00 0.00 C ATOM 454 CG HIS A 27 15.158 1.907 -3.673 1.00 0.00 C ATOM 455 ND1 HIS A 27 16.106 0.930 -3.416 1.00 0.00 N ATOM 456 CD2 HIS A 27 15.659 2.653 -4.711 1.00 0.00 C ATOM 457 CE1 HIS A 27 17.120 1.113 -4.279 1.00 0.00 C ATOM 458 NE2 HIS A 27 16.901 2.148 -5.092 1.00 0.00 N ATOM 0 H HIS A 27 12.078 1.847 -1.302 1.00 0.00 H new ATOM 0 HA HIS A 27 14.953 1.506 -1.074 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.280 1.110 -3.032 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.283 2.848 -3.258 1.00 0.00 H new ATOM 0 HD2 HIS A 27 15.166 3.501 -5.163 1.00 0.00 H new ATOM 0 HE1 HIS A 27 18.006 0.496 -4.311 1.00 0.00 H new ATOM 0 HE2 HIS A 27 17.511 2.495 -5.832 1.00 0.00 H new ATOM 466 N LYS A 28 13.807 4.601 -1.187 1.00 0.00 N ATOM 467 CA LYS A 28 14.175 6.028 -0.918 1.00 0.00 C ATOM 468 C LYS A 28 14.507 6.191 0.575 1.00 0.00 C ATOM 469 O LYS A 28 15.458 6.867 0.922 1.00 0.00 O ATOM 470 CB LYS A 28 12.947 6.867 -1.308 1.00 0.00 C ATOM 471 CG LYS A 28 12.809 6.939 -2.836 1.00 0.00 C ATOM 472 CD LYS A 28 11.614 7.819 -3.225 1.00 0.00 C ATOM 473 CE LYS A 28 10.961 7.303 -4.517 1.00 0.00 C ATOM 474 NZ LYS A 28 11.310 8.272 -5.602 1.00 0.00 N ATOM 0 H LYS A 28 12.827 4.460 -1.431 1.00 0.00 H new ATOM 0 HA LYS A 28 15.050 6.346 -1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.047 6.429 -0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.041 7.872 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.723 7.343 -3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.678 5.936 -3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.881 7.825 -2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.943 8.849 -3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.324 6.305 -4.760 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.880 7.229 -4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.885 7.958 -6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.944 9.214 -5.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.344 8.319 -5.707 1.00 0.00 H new ATOM 488 N ARG A 29 13.736 5.572 1.443 1.00 0.00 N ATOM 489 CA ARG A 29 13.974 5.656 2.921 1.00 0.00 C ATOM 490 C ARG A 29 15.350 5.075 3.285 1.00 0.00 C ATOM 491 O ARG A 29 16.001 5.589 4.177 1.00 0.00 O ATOM 492 CB ARG A 29 12.845 4.858 3.595 1.00 0.00 C ATOM 493 CG ARG A 29 11.957 5.788 4.429 1.00 0.00 C ATOM 494 CD ARG A 29 11.012 6.593 3.525 1.00 0.00 C ATOM 495 NE ARG A 29 9.700 6.638 4.240 1.00 0.00 N ATOM 496 CZ ARG A 29 9.406 7.631 5.046 1.00 0.00 C ATOM 497 NH1 ARG A 29 9.929 7.668 6.245 1.00 0.00 N ATOM 498 NH2 ARG A 29 8.591 8.578 4.651 1.00 0.00 N ATOM 0 H ARG A 29 12.934 4.999 1.180 1.00 0.00 H new ATOM 0 HA ARG A 29 13.972 6.692 3.259 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.245 4.355 2.837 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.270 4.082 4.232 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.376 5.202 5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.579 6.468 5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.398 7.598 3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.909 6.120 2.548 1.00 0.00 H new ATOM 0 HE ARG A 29 9.024 5.887 4.100 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.561 6.928 6.549 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.704 8.437 6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.184 8.544 3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.363 9.349 5.278 1.00 0.00 H new ATOM 512 N GLU A 30 15.797 4.034 2.614 1.00 0.00 N ATOM 513 CA GLU A 30 17.138 3.429 2.921 1.00 0.00 C ATOM 514 C GLU A 30 18.267 4.454 2.705 1.00 0.00 C ATOM 515 O GLU A 30 19.296 4.369 3.350 1.00 0.00 O ATOM 516 CB GLU A 30 17.311 2.226 1.981 1.00 0.00 C ATOM 517 CG GLU A 30 17.823 1.009 2.762 1.00 0.00 C ATOM 518 CD GLU A 30 19.355 0.995 2.805 1.00 0.00 C ATOM 519 OE1 GLU A 30 19.960 0.670 1.796 1.00 0.00 O ATOM 520 OE2 GLU A 30 19.897 1.308 3.852 1.00 0.00 O ATOM 0 H GLU A 30 15.285 3.574 1.861 1.00 0.00 H new ATOM 0 HA GLU A 30 17.189 3.118 3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 30 16.360 1.988 1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.011 2.476 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.426 1.030 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 30 17.459 0.093 2.296 1.00 0.00 H new ATOM 527 N ASN A 31 18.083 5.413 1.820 1.00 0.00 N ATOM 528 CA ASN A 31 19.128 6.451 1.555 1.00 0.00 C ATOM 529 C ASN A 31 18.441 7.769 1.154 1.00 0.00 C ATOM 530 O ASN A 31 18.473 8.181 0.008 1.00 0.00 O ATOM 531 CB ASN A 31 19.997 5.869 0.430 1.00 0.00 C ATOM 532 CG ASN A 31 21.421 5.650 0.947 1.00 0.00 C ATOM 533 OD1 ASN A 31 21.840 4.530 1.159 1.00 0.00 O ATOM 534 ND2 ASN A 31 22.198 6.678 1.160 1.00 0.00 N ATOM 0 H ASN A 31 17.235 5.518 1.263 1.00 0.00 H new ATOM 0 HA ASN A 31 19.744 6.681 2.424 1.00 0.00 H new ATOM 0 HB2 ASN A 31 19.576 4.926 0.082 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.009 6.547 -0.423 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.149 6.537 1.502 1.00 0.00 H new ATOM 0 HD22 ASN A 31 21.854 7.622 0.985 1.00 0.00 H new ATOM 541 N ALA A 32 17.812 8.425 2.103 1.00 0.00 N ATOM 542 CA ALA A 32 17.103 9.714 1.816 1.00 0.00 C ATOM 543 C ALA A 32 17.982 10.931 2.142 1.00 0.00 C ATOM 544 O ALA A 32 18.181 11.262 3.297 1.00 0.00 O ATOM 545 CB ALA A 32 15.844 9.697 2.689 1.00 0.00 C ATOM 0 H ALA A 32 17.760 8.118 3.074 1.00 0.00 H new ATOM 0 HA ALA A 32 16.860 9.800 0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.277 10.614 2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.228 8.838 2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 32 16.130 9.627 3.739 1.00 0.00 H new ATOM 551 N LYS A 33 18.492 11.585 1.119 1.00 0.00 N ATOM 552 CA LYS A 33 19.367 12.795 1.255 1.00 0.00 C ATOM 553 C LYS A 33 20.668 12.465 2.007 1.00 0.00 C ATOM 554 O LYS A 33 21.672 12.221 1.363 1.00 0.00 O ATOM 555 CB LYS A 33 18.508 13.867 1.945 1.00 0.00 C ATOM 556 CG LYS A 33 19.265 15.197 2.007 1.00 0.00 C ATOM 557 CD LYS A 33 18.414 16.244 2.735 1.00 0.00 C ATOM 558 CE LYS A 33 18.300 17.516 1.886 1.00 0.00 C ATOM 559 NZ LYS A 33 17.218 17.264 0.886 1.00 0.00 N ATOM 0 H LYS A 33 18.326 11.312 0.150 1.00 0.00 H new ATOM 0 HA LYS A 33 19.706 13.165 0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.573 13.998 1.401 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.248 13.541 2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 33 20.214 15.062 2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 33 19.498 15.541 0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.421 15.841 2.935 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.862 16.481 3.700 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.059 18.378 2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.244 17.736 1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.101 18.103 0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.474 16.446 0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.325 17.068 1.382 1.00 0.00 H new ATOM 573 N GLU A 34 20.665 12.451 3.321 1.00 0.00 N ATOM 574 CA GLU A 34 21.901 12.131 4.101 1.00 0.00 C ATOM 575 C GLU A 34 21.867 10.665 4.558 1.00 0.00 C ATOM 576 O GLU A 34 22.881 10.005 4.409 1.00 0.00 O ATOM 577 CB GLU A 34 21.912 13.087 5.302 1.00 0.00 C ATOM 578 CG GLU A 34 22.265 14.508 4.844 1.00 0.00 C ATOM 579 CD GLU A 34 22.741 15.359 6.030 1.00 0.00 C ATOM 580 OE1 GLU A 34 23.769 15.035 6.603 1.00 0.00 O ATOM 581 OE2 GLU A 34 22.068 16.328 6.346 1.00 0.00 O ATOM 582 OXT GLU A 34 20.838 10.219 5.045 1.00 0.00 O ATOM 0 H GLU A 34 19.844 12.651 3.892 1.00 0.00 H new ATOM 0 HA GLU A 34 22.803 12.257 3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 34 20.936 13.085 5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.636 12.745 6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 34 23.045 14.467 4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 34 21.394 14.973 4.383 1.00 0.00 H new TER 589 GLU A 34