USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=7 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+ 141:sc= 0.0414 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 153:sc= 0.884 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= 0.85 K(o=0.85,f=-5.4!) 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=-0.18) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -22.181 6.297 5.288 1.00 0.00 N ATOM 2 CA CYS A 1 -22.497 5.104 4.441 1.00 0.00 C ATOM 3 C CYS A 1 -21.590 3.926 4.822 1.00 0.00 C ATOM 4 O CYS A 1 -20.467 4.125 5.252 1.00 0.00 O ATOM 5 CB CYS A 1 -22.239 5.520 2.988 1.00 0.00 C ATOM 6 SG CYS A 1 -23.649 6.466 2.360 1.00 0.00 S ATOM 0 H1 CYS A 1 -22.231 7.158 4.707 1.00 0.00 H new ATOM 0 H2 CYS A 1 -22.869 6.363 6.065 1.00 0.00 H new ATOM 0 H3 CYS A 1 -21.223 6.200 5.681 1.00 0.00 H new ATOM 0 HA CYS A 1 -23.529 4.784 4.583 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -21.331 6.120 2.928 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -22.078 4.636 2.370 1.00 0.00 H new ATOM 0 HG CYS A 1 -23.422 6.817 1.129 1.00 0.00 H new ATOM 14 N ALA A 2 -22.067 2.713 4.663 1.00 0.00 N ATOM 15 CA ALA A 2 -21.247 1.506 5.007 1.00 0.00 C ATOM 16 C ALA A 2 -20.354 1.133 3.813 1.00 0.00 C ATOM 17 O ALA A 2 -20.595 0.161 3.117 1.00 0.00 O ATOM 18 CB ALA A 2 -22.257 0.401 5.345 1.00 0.00 C ATOM 0 H ALA A 2 -23.000 2.506 4.306 1.00 0.00 H new ATOM 0 HA ALA A 2 -20.577 1.675 5.850 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -21.723 -0.513 5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -22.872 0.716 6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -22.894 0.214 4.481 1.00 0.00 H new ATOM 24 N VAL A 3 -19.325 1.917 3.581 1.00 0.00 N ATOM 25 CA VAL A 3 -18.381 1.660 2.441 1.00 0.00 C ATOM 26 C VAL A 3 -17.362 0.557 2.768 1.00 0.00 C ATOM 27 O VAL A 3 -16.905 -0.112 1.864 1.00 0.00 O ATOM 28 CB VAL A 3 -17.677 2.985 2.092 1.00 0.00 C ATOM 29 CG1 VAL A 3 -18.704 4.065 1.734 1.00 0.00 C ATOM 30 CG2 VAL A 3 -16.807 3.485 3.253 1.00 0.00 C ATOM 0 H VAL A 3 -19.095 2.737 4.142 1.00 0.00 H new ATOM 0 HA VAL A 3 -18.947 1.299 1.583 1.00 0.00 H new ATOM 0 HB VAL A 3 -17.035 2.790 1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -18.186 4.993 1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -19.289 3.740 0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -19.368 4.231 2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -16.326 4.422 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -17.431 3.648 4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -16.045 2.741 3.483 1.00 0.00 H new ATOM 40 N GLU A 4 -17.013 0.362 4.018 1.00 0.00 N ATOM 41 CA GLU A 4 -16.029 -0.704 4.393 1.00 0.00 C ATOM 42 C GLU A 4 -16.585 -1.593 5.521 1.00 0.00 C ATOM 43 O GLU A 4 -15.869 -2.005 6.417 1.00 0.00 O ATOM 44 CB GLU A 4 -14.743 0.024 4.804 1.00 0.00 C ATOM 45 CG GLU A 4 -14.967 0.949 6.008 1.00 0.00 C ATOM 46 CD GLU A 4 -13.656 1.086 6.786 1.00 0.00 C ATOM 47 OE1 GLU A 4 -13.429 0.268 7.662 1.00 0.00 O ATOM 48 OE2 GLU A 4 -12.901 1.999 6.493 1.00 0.00 O ATOM 0 H GLU A 4 -17.373 0.903 4.804 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.830 -1.379 3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.974 -0.709 5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.372 0.608 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.308 1.928 5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.747 0.544 6.653 1.00 0.00 H new ATOM 55 N LEU A 5 -17.862 -1.886 5.464 1.00 0.00 N ATOM 56 CA LEU A 5 -18.523 -2.744 6.495 1.00 0.00 C ATOM 57 C LEU A 5 -18.702 -4.152 5.917 1.00 0.00 C ATOM 58 O LEU A 5 -18.243 -5.115 6.501 1.00 0.00 O ATOM 59 CB LEU A 5 -19.875 -2.079 6.796 1.00 0.00 C ATOM 60 CG LEU A 5 -20.410 -2.552 8.153 1.00 0.00 C ATOM 61 CD1 LEU A 5 -19.847 -1.673 9.272 1.00 0.00 C ATOM 62 CD2 LEU A 5 -21.939 -2.458 8.169 1.00 0.00 C ATOM 0 H LEU A 5 -18.487 -1.558 4.728 1.00 0.00 H new ATOM 0 HA LEU A 5 -17.939 -2.836 7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -19.762 -0.995 6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -20.591 -2.322 6.010 1.00 0.00 H new ATOM 0 HG LEU A 5 -20.102 -3.586 8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -20.232 -2.016 10.232 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -18.759 -1.738 9.273 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -20.149 -0.638 9.109 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -22.314 -2.795 9.135 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -22.242 -1.424 8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -22.351 -3.088 7.380 1.00 0.00 H new ATOM 74 N ARG A 6 -19.357 -4.262 4.782 1.00 0.00 N ATOM 75 CA ARG A 6 -19.581 -5.590 4.132 1.00 0.00 C ATOM 76 C ARG A 6 -18.741 -5.692 2.851 1.00 0.00 C ATOM 77 O ARG A 6 -18.086 -6.696 2.633 1.00 0.00 O ATOM 78 CB ARG A 6 -21.083 -5.667 3.832 1.00 0.00 C ATOM 79 CG ARG A 6 -21.534 -7.132 3.786 1.00 0.00 C ATOM 80 CD ARG A 6 -22.236 -7.442 2.458 1.00 0.00 C ATOM 81 NE ARG A 6 -21.149 -7.565 1.441 1.00 0.00 N ATOM 82 CZ ARG A 6 -20.618 -8.727 1.161 1.00 0.00 C ATOM 83 NH1 ARG A 6 -21.345 -9.660 0.601 1.00 0.00 N ATOM 84 NH2 ARG A 6 -19.358 -8.939 1.445 1.00 0.00 N ATOM 0 H ARG A 6 -19.751 -3.471 4.273 1.00 0.00 H new ATOM 0 HA ARG A 6 -19.278 -6.419 4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -21.643 -5.129 4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -21.297 -5.182 2.880 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.672 -7.787 3.909 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -22.210 -7.336 4.617 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -22.813 -8.364 2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -22.934 -6.649 2.190 1.00 0.00 H new ATOM 0 HE ARG A 6 -20.816 -6.731 0.958 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -22.325 -9.481 0.383 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -20.931 -10.566 0.382 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -18.802 -8.202 1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -18.932 -9.841 1.232 1.00 0.00 H new ATOM 98 N SER A 7 -18.752 -4.677 2.015 1.00 0.00 N ATOM 99 CA SER A 7 -17.957 -4.700 0.747 1.00 0.00 C ATOM 100 C SER A 7 -17.102 -3.426 0.660 1.00 0.00 C ATOM 101 O SER A 7 -17.622 -2.379 0.314 1.00 0.00 O ATOM 102 CB SER A 7 -18.985 -4.759 -0.389 1.00 0.00 C ATOM 103 OG SER A 7 -19.714 -5.978 -0.308 1.00 0.00 O ATOM 0 H SER A 7 -19.288 -3.822 2.163 1.00 0.00 H new ATOM 0 HA SER A 7 -17.277 -5.550 0.695 1.00 0.00 H new ATOM 0 HB2 SER A 7 -19.666 -3.911 -0.321 1.00 0.00 H new ATOM 0 HB3 SER A 7 -18.482 -4.688 -1.353 1.00 0.00 H new ATOM 0 HG SER A 7 -20.602 -5.855 -0.705 1.00 0.00 H new ATOM 109 N PRO A 8 -15.828 -3.539 0.974 1.00 0.00 N ATOM 110 CA PRO A 8 -14.918 -2.360 0.924 1.00 0.00 C ATOM 111 C PRO A 8 -14.516 -2.030 -0.523 1.00 0.00 C ATOM 112 O PRO A 8 -13.460 -2.422 -0.987 1.00 0.00 O ATOM 113 CB PRO A 8 -13.736 -2.783 1.797 1.00 0.00 C ATOM 114 CG PRO A 8 -13.723 -4.275 1.765 1.00 0.00 C ATOM 115 CD PRO A 8 -15.104 -4.748 1.404 1.00 0.00 C ATOM 0 HA PRO A 8 -15.375 -1.440 1.287 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.801 -2.375 1.414 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.851 -2.414 2.816 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.996 -4.633 1.037 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.426 -4.674 2.735 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.070 -5.491 0.607 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.594 -5.218 2.257 1.00 0.00 H new ATOM 123 N GLY A 9 -15.359 -1.308 -1.226 1.00 0.00 N ATOM 124 CA GLY A 9 -15.068 -0.928 -2.642 1.00 0.00 C ATOM 125 C GLY A 9 -13.896 0.059 -2.686 1.00 0.00 C ATOM 126 O GLY A 9 -13.837 0.966 -1.878 1.00 0.00 O ATOM 0 H GLY A 9 -16.250 -0.962 -0.870 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -14.828 -1.817 -3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -15.951 -0.478 -3.096 1.00 0.00 H new ATOM 130 N ILE A 10 -12.981 -0.129 -3.615 1.00 0.00 N ATOM 131 CA ILE A 10 -11.762 0.731 -3.807 1.00 0.00 C ATOM 132 C ILE A 10 -10.710 0.450 -2.729 1.00 0.00 C ATOM 133 O ILE A 10 -9.550 0.302 -3.049 1.00 0.00 O ATOM 134 CB ILE A 10 -12.159 2.218 -3.767 1.00 0.00 C ATOM 135 CG1 ILE A 10 -13.266 2.525 -4.779 1.00 0.00 C ATOM 136 CG2 ILE A 10 -10.954 3.106 -4.091 1.00 0.00 C ATOM 137 CD1 ILE A 10 -14.307 3.409 -4.091 1.00 0.00 C ATOM 0 H ILE A 10 -13.037 -0.893 -4.288 1.00 0.00 H new ATOM 0 HA ILE A 10 -11.329 0.492 -4.779 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.520 2.426 -2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.854 3.031 -5.652 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.725 1.602 -5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.254 4.153 -4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -10.166 2.931 -3.359 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.583 2.866 -5.087 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -15.108 3.642 -4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.720 2.882 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.836 4.334 -3.758 1.00 0.00 H new ATOM 149 N SER A 11 -11.092 0.386 -1.478 1.00 0.00 N ATOM 150 CA SER A 11 -10.114 0.124 -0.373 1.00 0.00 C ATOM 151 C SER A 11 -9.262 -1.133 -0.621 1.00 0.00 C ATOM 152 O SER A 11 -8.083 -1.134 -0.314 1.00 0.00 O ATOM 153 CB SER A 11 -10.917 -0.001 0.927 1.00 0.00 C ATOM 154 OG SER A 11 -10.137 0.485 2.014 1.00 0.00 O ATOM 0 H SER A 11 -12.057 0.506 -1.169 1.00 0.00 H new ATOM 0 HA SER A 11 -9.404 0.949 -0.315 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.845 0.565 0.850 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.192 -1.042 1.099 1.00 0.00 H new ATOM 0 HG SER A 11 -10.650 0.407 2.845 1.00 0.00 H new ATOM 160 N ARG A 12 -9.825 -2.184 -1.169 1.00 0.00 N ATOM 161 CA ARG A 12 -9.024 -3.424 -1.435 1.00 0.00 C ATOM 162 C ARG A 12 -8.007 -3.179 -2.567 1.00 0.00 C ATOM 163 O ARG A 12 -6.995 -3.854 -2.621 1.00 0.00 O ATOM 164 CB ARG A 12 -10.027 -4.519 -1.821 1.00 0.00 C ATOM 165 CG ARG A 12 -9.452 -5.906 -1.500 1.00 0.00 C ATOM 166 CD ARG A 12 -9.304 -6.737 -2.782 1.00 0.00 C ATOM 167 NE ARG A 12 -10.359 -7.790 -2.706 1.00 0.00 N ATOM 168 CZ ARG A 12 -10.032 -9.056 -2.650 1.00 0.00 C ATOM 169 NH1 ARG A 12 -9.712 -9.591 -1.499 1.00 0.00 N ATOM 170 NH2 ARG A 12 -10.028 -9.774 -3.745 1.00 0.00 N ATOM 0 H ARG A 12 -10.806 -2.238 -1.444 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.450 -3.719 -0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.962 -4.372 -1.281 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.259 -4.451 -2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.482 -5.800 -1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.106 -6.423 -0.798 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.434 -6.116 -3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.311 -7.182 -2.848 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.343 -7.521 -2.698 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.718 -9.022 -0.653 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.456 -10.577 -1.448 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.279 -9.346 -4.636 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.774 -10.761 -3.707 1.00 0.00 H new ATOM 184 N PHE A 13 -8.263 -2.238 -3.451 1.00 0.00 N ATOM 185 CA PHE A 13 -7.328 -1.935 -4.580 1.00 0.00 C ATOM 186 C PHE A 13 -6.461 -0.700 -4.259 1.00 0.00 C ATOM 187 O PHE A 13 -5.340 -0.626 -4.729 1.00 0.00 O ATOM 188 CB PHE A 13 -8.244 -1.803 -5.816 1.00 0.00 C ATOM 189 CG PHE A 13 -8.140 -0.476 -6.543 1.00 0.00 C ATOM 190 CD1 PHE A 13 -8.866 0.630 -6.086 1.00 0.00 C ATOM 191 CD2 PHE A 13 -7.326 -0.352 -7.676 1.00 0.00 C ATOM 192 CE1 PHE A 13 -8.779 1.855 -6.754 1.00 0.00 C ATOM 193 CE2 PHE A 13 -7.240 0.874 -8.347 1.00 0.00 C ATOM 194 CZ PHE A 13 -7.968 1.977 -7.884 1.00 0.00 C ATOM 0 H PHE A 13 -9.101 -1.656 -3.433 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.584 -2.710 -4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.006 -2.605 -6.515 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.278 -1.950 -5.503 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.496 0.537 -5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.764 -1.203 -8.032 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -9.339 2.706 -6.396 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -6.613 0.969 -9.221 1.00 0.00 H new ATOM 0 HZ PHE A 13 -7.902 2.923 -8.401 1.00 0.00 H new ATOM 204 N ARG A 14 -6.948 0.249 -3.478 1.00 0.00 N ATOM 205 CA ARG A 14 -6.134 1.462 -3.137 1.00 0.00 C ATOM 206 C ARG A 14 -4.858 1.046 -2.388 1.00 0.00 C ATOM 207 O ARG A 14 -3.803 1.607 -2.615 1.00 0.00 O ATOM 208 CB ARG A 14 -7.019 2.401 -2.291 1.00 0.00 C ATOM 209 CG ARG A 14 -7.122 1.942 -0.829 1.00 0.00 C ATOM 210 CD ARG A 14 -7.785 3.014 0.045 1.00 0.00 C ATOM 211 NE ARG A 14 -6.965 3.067 1.295 1.00 0.00 N ATOM 212 CZ ARG A 14 -6.104 4.037 1.491 1.00 0.00 C ATOM 213 NH1 ARG A 14 -6.535 5.255 1.712 1.00 0.00 N ATOM 214 NH2 ARG A 14 -4.820 3.776 1.466 1.00 0.00 N ATOM 0 H ARG A 14 -7.880 0.230 -3.063 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.815 1.987 -4.038 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.610 3.411 -2.325 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -8.017 2.447 -2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.698 1.018 -0.775 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.127 1.720 -0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.797 3.980 -0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.821 2.757 0.265 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.077 2.341 2.003 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.537 5.446 1.731 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.869 6.012 1.865 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.496 2.824 1.295 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.144 4.525 1.618 1.00 0.00 H new ATOM 228 N ARG A 15 -4.958 0.068 -1.511 1.00 0.00 N ATOM 229 CA ARG A 15 -3.772 -0.412 -0.736 1.00 0.00 C ATOM 230 C ARG A 15 -2.775 -1.082 -1.685 1.00 0.00 C ATOM 231 O ARG A 15 -1.583 -0.956 -1.486 1.00 0.00 O ATOM 232 CB ARG A 15 -4.300 -1.401 0.309 1.00 0.00 C ATOM 233 CG ARG A 15 -4.822 -0.627 1.523 1.00 0.00 C ATOM 234 CD ARG A 15 -5.245 -1.609 2.618 1.00 0.00 C ATOM 235 NE ARG A 15 -5.322 -0.815 3.882 1.00 0.00 N ATOM 236 CZ ARG A 15 -6.049 -1.249 4.876 1.00 0.00 C ATOM 237 NH1 ARG A 15 -5.519 -2.059 5.759 1.00 0.00 N ATOM 238 NH2 ARG A 15 -7.297 -0.866 4.969 1.00 0.00 N ATOM 0 H ARG A 15 -5.827 -0.422 -1.300 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.249 0.408 -0.245 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.097 -2.009 -0.119 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.507 -2.084 0.613 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.048 0.042 1.900 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.668 -0.004 1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.208 -2.062 2.384 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.525 -2.422 2.712 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.809 0.062 3.968 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.545 -2.346 5.667 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.081 -2.402 6.538 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.691 -0.236 4.270 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.876 -1.198 5.740 1.00 0.00 H new ATOM 252 N LYS A 16 -3.242 -1.773 -2.703 1.00 0.00 N ATOM 253 CA LYS A 16 -2.309 -2.437 -3.669 1.00 0.00 C ATOM 254 C LYS A 16 -1.507 -1.353 -4.403 1.00 0.00 C ATOM 255 O LYS A 16 -0.339 -1.550 -4.679 1.00 0.00 O ATOM 256 CB LYS A 16 -3.170 -3.256 -4.642 1.00 0.00 C ATOM 257 CG LYS A 16 -2.553 -4.643 -4.866 1.00 0.00 C ATOM 258 CD LYS A 16 -1.556 -4.614 -6.031 1.00 0.00 C ATOM 259 CE LYS A 16 -2.276 -4.938 -7.347 1.00 0.00 C ATOM 260 NZ LYS A 16 -1.233 -5.460 -8.280 1.00 0.00 N ATOM 0 H LYS A 16 -4.233 -1.905 -2.905 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.601 -3.097 -3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.180 -3.360 -4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.254 -2.731 -5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.048 -4.972 -3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.341 -5.367 -5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.088 -3.632 -6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.759 -5.336 -5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.061 -5.678 -7.189 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.754 -4.049 -7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.671 -5.696 -9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.502 -4.735 -8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.799 -6.313 -7.873 1.00 0.00 H new ATOM 274 N ILE A 17 -2.116 -0.223 -4.700 1.00 0.00 N ATOM 275 CA ILE A 17 -1.397 0.890 -5.400 1.00 0.00 C ATOM 276 C ILE A 17 -0.332 1.409 -4.419 1.00 0.00 C ATOM 277 O ILE A 17 0.810 1.613 -4.786 1.00 0.00 O ATOM 278 CB ILE A 17 -2.443 1.979 -5.701 1.00 0.00 C ATOM 279 CG1 ILE A 17 -3.570 1.436 -6.590 1.00 0.00 C ATOM 280 CG2 ILE A 17 -1.795 3.164 -6.424 1.00 0.00 C ATOM 281 CD1 ILE A 17 -4.822 2.299 -6.411 1.00 0.00 C ATOM 0 H ILE A 17 -3.093 -0.026 -4.483 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.920 0.581 -6.330 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.854 2.301 -4.744 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.258 1.441 -7.634 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.788 0.401 -6.327 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.550 3.923 -6.628 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.013 3.590 -5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.360 2.823 -7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.623 1.914 -7.042 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.137 2.271 -5.368 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.599 3.327 -6.695 1.00 0.00 H new ATOM 293 N ALA A 18 -0.719 1.608 -3.176 1.00 0.00 N ATOM 294 CA ALA A 18 0.224 2.102 -2.123 1.00 0.00 C ATOM 295 C ALA A 18 1.309 1.051 -1.855 1.00 0.00 C ATOM 296 O ALA A 18 2.461 1.412 -1.708 1.00 0.00 O ATOM 297 CB ALA A 18 -0.630 2.358 -0.876 1.00 0.00 C ATOM 0 H ALA A 18 -1.670 1.444 -2.844 1.00 0.00 H new ATOM 0 HA ALA A 18 0.739 3.013 -2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.005 2.722 -0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.391 3.104 -1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.112 1.430 -0.568 1.00 0.00 H new ATOM 303 N LYS A 19 0.965 -0.221 -1.804 1.00 0.00 N ATOM 304 CA LYS A 19 1.986 -1.291 -1.559 1.00 0.00 C ATOM 305 C LYS A 19 3.046 -1.280 -2.674 1.00 0.00 C ATOM 306 O LYS A 19 4.163 -1.705 -2.453 1.00 0.00 O ATOM 307 CB LYS A 19 1.230 -2.626 -1.537 1.00 0.00 C ATOM 308 CG LYS A 19 0.720 -2.896 -0.118 1.00 0.00 C ATOM 309 CD LYS A 19 0.096 -4.292 -0.034 1.00 0.00 C ATOM 310 CE LYS A 19 -0.203 -4.635 1.433 1.00 0.00 C ATOM 311 NZ LYS A 19 -1.526 -5.325 1.442 1.00 0.00 N ATOM 0 H LYS A 19 0.011 -0.562 -1.923 1.00 0.00 H new ATOM 0 HA LYS A 19 2.509 -1.130 -0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.394 -2.595 -2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.886 -3.434 -1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.542 -2.814 0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.018 -2.143 0.160 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.822 -4.327 -0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.775 -5.031 -0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.573 -5.278 1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.231 -3.733 2.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.778 -5.581 2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.252 -4.690 1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.472 -6.186 0.862 1.00 0.00 H new ATOM 325 N ARG A 20 2.711 -0.796 -3.850 1.00 0.00 N ATOM 326 CA ARG A 20 3.686 -0.740 -4.981 1.00 0.00 C ATOM 327 C ARG A 20 4.587 0.498 -4.825 1.00 0.00 C ATOM 328 O ARG A 20 5.772 0.419 -5.086 1.00 0.00 O ATOM 329 CB ARG A 20 2.825 -0.650 -6.248 1.00 0.00 C ATOM 330 CG ARG A 20 3.708 -0.725 -7.497 1.00 0.00 C ATOM 331 CD ARG A 20 2.875 -0.402 -8.744 1.00 0.00 C ATOM 332 NE ARG A 20 3.403 0.886 -9.290 1.00 0.00 N ATOM 333 CZ ARG A 20 2.689 1.576 -10.140 1.00 0.00 C ATOM 334 NH1 ARG A 20 1.731 2.355 -9.704 1.00 0.00 N ATOM 335 NH2 ARG A 20 2.940 1.481 -11.421 1.00 0.00 N ATOM 0 H ARG A 20 1.785 -0.432 -4.073 1.00 0.00 H new ATOM 0 HA ARG A 20 4.346 -1.607 -5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.097 -1.461 -6.260 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.262 0.283 -6.248 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.537 -0.022 -7.410 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.143 -1.721 -7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.959 -1.199 -9.483 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.819 -0.311 -8.491 1.00 0.00 H new ATOM 0 HE ARG A 20 4.320 1.226 -8.999 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.544 2.422 -8.704 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.172 2.895 -10.365 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.689 0.871 -11.750 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.387 2.016 -12.090 1.00 0.00 H new ATOM 349 N SER A 21 4.042 1.621 -4.409 1.00 0.00 N ATOM 350 CA SER A 21 4.860 2.866 -4.235 1.00 0.00 C ATOM 351 C SER A 21 5.646 2.828 -2.916 1.00 0.00 C ATOM 352 O SER A 21 6.838 3.082 -2.907 1.00 0.00 O ATOM 353 CB SER A 21 3.856 4.025 -4.236 1.00 0.00 C ATOM 354 OG SER A 21 4.511 5.229 -4.620 1.00 0.00 O ATOM 0 H SER A 21 3.054 1.727 -4.180 1.00 0.00 H new ATOM 0 HA SER A 21 5.598 2.972 -5.030 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.038 3.810 -4.924 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.417 4.139 -3.245 1.00 0.00 H new ATOM 0 HG SER A 21 3.866 5.967 -4.621 1.00 0.00 H new ATOM 360 N ILE A 22 4.985 2.515 -1.823 1.00 0.00 N ATOM 361 CA ILE A 22 5.659 2.451 -0.483 1.00 0.00 C ATOM 362 C ILE A 22 6.837 1.467 -0.510 1.00 0.00 C ATOM 363 O ILE A 22 7.852 1.757 0.091 1.00 0.00 O ATOM 364 CB ILE A 22 4.571 2.060 0.534 1.00 0.00 C ATOM 365 CG1 ILE A 22 3.727 3.301 0.853 1.00 0.00 C ATOM 366 CG2 ILE A 22 5.191 1.529 1.833 1.00 0.00 C ATOM 367 CD1 ILE A 22 2.484 2.910 1.658 1.00 0.00 C ATOM 0 H ILE A 22 3.989 2.297 -1.804 1.00 0.00 H new ATOM 0 HA ILE A 22 6.096 3.409 -0.202 1.00 0.00 H new ATOM 0 HB ILE A 22 3.955 1.272 0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.323 4.018 1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.428 3.793 -0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.398 1.261 2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.795 0.648 1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.821 2.300 2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.896 3.802 1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.881 2.210 1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.789 2.439 2.593 1.00 0.00 H new ATOM 379 N LYS A 23 6.729 0.342 -1.186 1.00 0.00 N ATOM 380 CA LYS A 23 7.871 -0.631 -1.237 1.00 0.00 C ATOM 381 C LYS A 23 9.118 0.075 -1.798 1.00 0.00 C ATOM 382 O LYS A 23 10.212 -0.127 -1.305 1.00 0.00 O ATOM 383 CB LYS A 23 7.437 -1.782 -2.152 1.00 0.00 C ATOM 384 CG LYS A 23 8.366 -2.982 -1.943 1.00 0.00 C ATOM 385 CD LYS A 23 8.390 -3.858 -3.200 1.00 0.00 C ATOM 386 CE LYS A 23 9.600 -3.494 -4.072 1.00 0.00 C ATOM 387 NZ LYS A 23 9.078 -3.319 -5.460 1.00 0.00 N ATOM 0 H LYS A 23 5.898 0.057 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 23 8.120 -1.011 -0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.407 -2.064 -1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.467 -1.463 -3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.374 -2.635 -1.713 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.028 -3.568 -1.089 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.437 -4.910 -2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.469 -3.721 -3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.074 -2.579 -3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.355 -4.279 -4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.862 -3.070 -6.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.640 -4.206 -5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.368 -2.559 -5.471 1.00 0.00 H new ATOM 401 N THR A 24 8.952 0.902 -2.808 1.00 0.00 N ATOM 402 CA THR A 24 10.112 1.643 -3.405 1.00 0.00 C ATOM 403 C THR A 24 10.675 2.610 -2.351 1.00 0.00 C ATOM 404 O THR A 24 11.875 2.776 -2.257 1.00 0.00 O ATOM 405 CB THR A 24 9.573 2.410 -4.622 1.00 0.00 C ATOM 406 OG1 THR A 24 8.756 1.557 -5.416 1.00 0.00 O ATOM 407 CG2 THR A 24 10.730 2.939 -5.474 1.00 0.00 C ATOM 0 H THR A 24 8.052 1.096 -3.248 1.00 0.00 H new ATOM 0 HA THR A 24 10.914 0.972 -3.713 1.00 0.00 H new ATOM 0 HB THR A 24 8.979 3.250 -4.263 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.416 2.056 -6.188 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.332 3.480 -6.332 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.345 3.611 -4.875 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.338 2.103 -5.822 1.00 0.00 H new ATOM 415 N LEU A 25 9.819 3.226 -1.563 1.00 0.00 N ATOM 416 CA LEU A 25 10.274 4.174 -0.498 1.00 0.00 C ATOM 417 C LEU A 25 11.101 3.384 0.525 1.00 0.00 C ATOM 418 O LEU A 25 12.168 3.816 0.920 1.00 0.00 O ATOM 419 CB LEU A 25 8.999 4.747 0.142 1.00 0.00 C ATOM 420 CG LEU A 25 9.142 6.243 0.447 1.00 0.00 C ATOM 421 CD1 LEU A 25 10.257 6.480 1.471 1.00 0.00 C ATOM 422 CD2 LEU A 25 9.449 7.023 -0.837 1.00 0.00 C ATOM 0 H LEU A 25 8.807 3.107 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 25 10.894 4.983 -0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.154 4.591 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.780 4.207 1.063 1.00 0.00 H new ATOM 0 HG LEU A 25 8.198 6.596 0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.343 7.547 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.021 5.952 2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.201 6.109 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.548 8.083 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.380 6.659 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.637 6.882 -1.551 1.00 0.00 H new ATOM 434 N GLU A 26 10.607 2.233 0.933 1.00 0.00 N ATOM 435 CA GLU A 26 11.327 1.362 1.921 1.00 0.00 C ATOM 436 C GLU A 26 12.674 0.915 1.334 1.00 0.00 C ATOM 437 O GLU A 26 13.682 0.885 2.019 1.00 0.00 O ATOM 438 CB GLU A 26 10.431 0.136 2.141 1.00 0.00 C ATOM 439 CG GLU A 26 9.689 0.245 3.479 1.00 0.00 C ATOM 440 CD GLU A 26 8.194 -0.048 3.302 1.00 0.00 C ATOM 441 OE1 GLU A 26 7.848 -1.054 2.700 1.00 0.00 O ATOM 442 OE2 GLU A 26 7.407 0.749 3.783 1.00 0.00 O ATOM 0 H GLU A 26 9.715 1.855 0.614 1.00 0.00 H new ATOM 0 HA GLU A 26 11.521 1.892 2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.712 0.053 1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.036 -0.771 2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.118 -0.455 4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.821 1.245 3.892 1.00 0.00 H new ATOM 449 N HIS A 27 12.691 0.573 0.066 1.00 0.00 N ATOM 450 CA HIS A 27 13.955 0.128 -0.599 1.00 0.00 C ATOM 451 C HIS A 27 14.733 1.355 -1.102 1.00 0.00 C ATOM 452 O HIS A 27 15.120 1.428 -2.253 1.00 0.00 O ATOM 453 CB HIS A 27 13.525 -0.790 -1.755 1.00 0.00 C ATOM 454 CG HIS A 27 12.996 -2.099 -1.224 1.00 0.00 C ATOM 455 ND1 HIS A 27 11.721 -2.224 -0.695 1.00 0.00 N ATOM 456 CD2 HIS A 27 13.560 -3.349 -1.132 1.00 0.00 C ATOM 457 CE1 HIS A 27 11.560 -3.502 -0.312 1.00 0.00 C ATOM 458 NE2 HIS A 27 12.651 -4.232 -0.555 1.00 0.00 N ATOM 0 H HIS A 27 11.872 0.584 -0.542 1.00 0.00 H new ATOM 0 HA HIS A 27 14.618 -0.406 0.081 1.00 0.00 H new ATOM 0 HB2 HIS A 27 12.758 -0.297 -2.352 1.00 0.00 H new ATOM 0 HB3 HIS A 27 14.373 -0.975 -2.415 1.00 0.00 H new ATOM 0 HD1 HIS A 27 11.029 -1.479 -0.611 1.00 0.00 H new ATOM 0 HD2 HIS A 27 14.557 -3.607 -1.458 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.658 -3.891 0.137 1.00 0.00 H new ATOM 466 N LYS A 28 14.966 2.319 -0.240 1.00 0.00 N ATOM 467 CA LYS A 28 15.715 3.550 -0.629 1.00 0.00 C ATOM 468 C LYS A 28 16.799 3.806 0.424 1.00 0.00 C ATOM 469 O LYS A 28 17.968 3.621 0.139 1.00 0.00 O ATOM 470 CB LYS A 28 14.669 4.673 -0.695 1.00 0.00 C ATOM 471 CG LYS A 28 15.014 5.653 -1.820 1.00 0.00 C ATOM 472 CD LYS A 28 16.251 6.476 -1.445 1.00 0.00 C ATOM 473 CE LYS A 28 16.642 7.382 -2.619 1.00 0.00 C ATOM 474 NZ LYS A 28 18.134 7.364 -2.680 1.00 0.00 N ATOM 0 H LYS A 28 14.661 2.300 0.733 1.00 0.00 H new ATOM 0 HA LYS A 28 16.221 3.472 -1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.679 4.248 -0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.631 5.201 0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.199 5.106 -2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.169 6.317 -2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.045 7.079 -0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.079 5.813 -1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.210 7.019 -3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.271 8.396 -2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.457 7.966 -3.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.522 7.723 -1.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 18.463 6.390 -2.834 1.00 0.00 H new ATOM 488 N ARG A 29 16.431 4.209 1.621 1.00 0.00 N ATOM 489 CA ARG A 29 17.453 4.459 2.683 1.00 0.00 C ATOM 490 C ARG A 29 17.834 3.143 3.380 1.00 0.00 C ATOM 491 O ARG A 29 18.905 3.058 3.951 1.00 0.00 O ATOM 492 CB ARG A 29 16.861 5.498 3.646 1.00 0.00 C ATOM 493 CG ARG A 29 15.651 4.950 4.413 1.00 0.00 C ATOM 494 CD ARG A 29 15.980 4.867 5.907 1.00 0.00 C ATOM 495 NE ARG A 29 14.751 5.331 6.614 1.00 0.00 N ATOM 496 CZ ARG A 29 13.735 4.522 6.758 1.00 0.00 C ATOM 497 NH1 ARG A 29 13.755 3.623 7.707 1.00 0.00 N ATOM 498 NH2 ARG A 29 12.708 4.615 5.953 1.00 0.00 N ATOM 0 H ARG A 29 15.465 4.375 1.905 1.00 0.00 H new ATOM 0 HA ARG A 29 18.380 4.850 2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.627 5.812 4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 29 16.563 6.384 3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 29 14.787 5.595 4.257 1.00 0.00 H new ATOM 0 HG3 ARG A 29 15.385 3.963 4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 29 16.237 3.848 6.196 1.00 0.00 H new ATOM 0 HD3 ARG A 29 16.836 5.495 6.156 1.00 0.00 H new ATOM 0 HE ARG A 29 14.704 6.280 6.985 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.560 3.556 8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.965 2.988 7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.701 5.318 5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.914 3.984 6.064 1.00 0.00 H new ATOM 512 N GLU A 30 16.995 2.128 3.333 1.00 0.00 N ATOM 513 CA GLU A 30 17.325 0.820 3.981 1.00 0.00 C ATOM 514 C GLU A 30 17.927 -0.149 2.947 1.00 0.00 C ATOM 515 O GLU A 30 18.380 -1.215 3.313 1.00 0.00 O ATOM 516 CB GLU A 30 16.013 0.263 4.544 1.00 0.00 C ATOM 517 CG GLU A 30 15.557 1.099 5.746 1.00 0.00 C ATOM 518 CD GLU A 30 14.054 1.385 5.648 1.00 0.00 C ATOM 519 OE1 GLU A 30 13.659 2.081 4.725 1.00 0.00 O ATOM 520 OE2 GLU A 30 13.318 0.911 6.498 1.00 0.00 O ATOM 0 H GLU A 30 16.088 2.155 2.868 1.00 0.00 H new ATOM 0 HA GLU A 30 18.062 0.948 4.774 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.244 0.273 3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.149 -0.776 4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.774 0.567 6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 30 16.112 2.036 5.779 1.00 0.00 H new ATOM 527 N ASN A 31 17.948 0.194 1.674 1.00 0.00 N ATOM 528 CA ASN A 31 18.528 -0.712 0.633 1.00 0.00 C ATOM 529 C ASN A 31 19.764 -0.045 0.003 1.00 0.00 C ATOM 530 O ASN A 31 19.942 -0.072 -1.203 1.00 0.00 O ATOM 531 CB ASN A 31 17.400 -0.919 -0.387 1.00 0.00 C ATOM 532 CG ASN A 31 17.454 -2.344 -0.946 1.00 0.00 C ATOM 533 OD1 ASN A 31 16.728 -3.204 -0.492 1.00 0.00 O ATOM 534 ND2 ASN A 31 18.280 -2.638 -1.915 1.00 0.00 N ATOM 0 H ASN A 31 17.582 1.075 1.313 1.00 0.00 H new ATOM 0 HA ASN A 31 18.866 -1.668 1.033 1.00 0.00 H new ATOM 0 HB2 ASN A 31 16.434 -0.741 0.086 1.00 0.00 H new ATOM 0 HB3 ASN A 31 17.495 -0.197 -1.198 1.00 0.00 H new ATOM 0 HD21 ASN A 31 18.313 -3.587 -2.287 1.00 0.00 H new ATOM 0 HD22 ASN A 31 18.892 -1.918 -2.300 1.00 0.00 H new ATOM 541 N ALA A 32 20.613 0.552 0.815 1.00 0.00 N ATOM 542 CA ALA A 32 21.845 1.233 0.301 1.00 0.00 C ATOM 543 C ALA A 32 22.961 1.227 1.356 1.00 0.00 C ATOM 544 O ALA A 32 22.698 1.430 2.528 1.00 0.00 O ATOM 545 CB ALA A 32 21.406 2.669 0.001 1.00 0.00 C ATOM 0 H ALA A 32 20.499 0.595 1.828 1.00 0.00 H new ATOM 0 HA ALA A 32 22.247 0.728 -0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.254 3.236 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 32 20.611 2.658 -0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 32 21.040 3.136 0.915 1.00 0.00 H new ATOM 551 N LYS A 33 24.189 0.998 0.939 1.00 0.00 N ATOM 552 CA LYS A 33 25.371 0.967 1.865 1.00 0.00 C ATOM 553 C LYS A 33 25.168 -0.072 2.989 1.00 0.00 C ATOM 554 O LYS A 33 24.949 -1.229 2.678 1.00 0.00 O ATOM 555 CB LYS A 33 25.551 2.409 2.377 1.00 0.00 C ATOM 556 CG LYS A 33 25.804 3.386 1.220 1.00 0.00 C ATOM 557 CD LYS A 33 27.221 3.205 0.666 1.00 0.00 C ATOM 558 CE LYS A 33 27.158 2.550 -0.719 1.00 0.00 C ATOM 559 NZ LYS A 33 28.573 2.391 -1.166 1.00 0.00 N ATOM 0 H LYS A 33 24.426 0.826 -0.038 1.00 0.00 H new ATOM 0 HA LYS A 33 26.282 0.645 1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 33 24.661 2.716 2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 33 26.386 2.447 3.077 1.00 0.00 H new ATOM 0 HG2 LYS A 33 25.073 3.219 0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 33 25.670 4.411 1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.721 4.171 0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.810 2.587 1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 33 26.654 1.585 -0.671 1.00 0.00 H new ATOM 0 HE3 LYS A 33 26.596 3.169 -1.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 28.592 1.948 -2.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 29.029 3.324 -1.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 29.085 1.789 -0.490 1.00 0.00 H new ATOM 573 N GLU A 34 25.233 0.299 4.251 1.00 0.00 N ATOM 574 CA GLU A 34 25.043 -0.680 5.367 1.00 0.00 C ATOM 575 C GLU A 34 24.458 0.026 6.602 1.00 0.00 C ATOM 576 O GLU A 34 23.447 -0.442 7.097 1.00 0.00 O ATOM 577 CB GLU A 34 26.448 -1.234 5.638 1.00 0.00 C ATOM 578 CG GLU A 34 26.397 -2.367 6.670 1.00 0.00 C ATOM 579 CD GLU A 34 26.935 -1.873 8.017 1.00 0.00 C ATOM 580 OE1 GLU A 34 28.143 -1.744 8.143 1.00 0.00 O ATOM 581 OE2 GLU A 34 26.131 -1.633 8.902 1.00 0.00 O ATOM 582 OXT GLU A 34 25.023 1.020 7.037 1.00 0.00 O ATOM 0 H GLU A 34 25.413 1.256 4.555 1.00 0.00 H new ATOM 0 HA GLU A 34 24.341 -1.477 5.119 1.00 0.00 H new ATOM 0 HB2 GLU A 34 26.884 -1.601 4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 34 27.095 -0.435 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 34 25.372 -2.719 6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 34 26.988 -3.214 6.322 1.00 0.00 H new TER 589 GLU A 34