USER MOD reduce.3.24.130724 H: found=0, std=0, add=285, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 280 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 CYS SG : rot 143:sc= -5.88! USER MOD Set 1.2: A 8 CYS SG : rot -136:sc= -3.52 USER MOD Set 1.3: A 21 HIS : no HE2:sc= -11.6! C(o=-28!,f=-30!) USER MOD Set 1.4: A 25 HIS :FLIP no HD1:sc= -7.36! C(o=-32!,f=-28!) USER MOD Set 2.1: A 1 TYR N :NH3+ 169:sc= 0.265 (180deg=0.0846) USER MOD Set 2.2: A 13 MET CE :methyl 159:sc= 0 (180deg=-0.121) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 161:sc= 0.095 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.5) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0171) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -13.593 13.759 1.802 1.00 0.00 N ATOM 2 CA TYR A 1 -13.216 12.471 1.154 1.00 0.00 C ATOM 3 C TYR A 1 -13.072 12.640 -0.357 1.00 0.00 C ATOM 4 O TYR A 1 -14.061 12.602 -1.093 1.00 0.00 O ATOM 5 CB TYR A 1 -14.287 11.419 1.471 1.00 0.00 C ATOM 6 CG TYR A 1 -14.598 11.286 2.946 1.00 0.00 C ATOM 7 CD1 TYR A 1 -13.766 10.563 3.791 1.00 0.00 C ATOM 8 CD2 TYR A 1 -15.726 11.887 3.493 1.00 0.00 C ATOM 9 CE1 TYR A 1 -14.049 10.442 5.138 1.00 0.00 C ATOM 10 CE2 TYR A 1 -16.015 11.771 4.839 1.00 0.00 C ATOM 11 CZ TYR A 1 -15.173 11.048 5.657 1.00 0.00 C ATOM 12 OH TYR A 1 -15.457 10.931 6.999 1.00 0.00 O ATOM 0 H1 TYR A 1 -13.866 13.584 2.790 1.00 0.00 H new ATOM 0 H2 TYR A 1 -12.783 14.411 1.777 1.00 0.00 H new ATOM 0 H3 TYR A 1 -14.394 14.183 1.292 1.00 0.00 H new ATOM 0 HA TYR A 1 -12.252 12.146 1.545 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -15.203 11.675 0.938 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -13.957 10.452 1.091 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -12.884 10.088 3.389 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -16.388 12.454 2.855 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -13.392 9.875 5.781 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -16.896 12.244 5.248 1.00 0.00 H new ATOM 0 HH TYR A 1 -16.283 11.417 7.202 1.00 0.00 H new ATOM 22 N LYS A 2 -11.833 12.830 -0.815 1.00 0.00 N ATOM 23 CA LYS A 2 -11.561 13.009 -2.239 1.00 0.00 C ATOM 24 C LYS A 2 -10.188 12.443 -2.618 1.00 0.00 C ATOM 25 O LYS A 2 -9.409 13.091 -3.321 1.00 0.00 O ATOM 26 CB LYS A 2 -11.647 14.496 -2.609 1.00 0.00 C ATOM 27 CG LYS A 2 -12.562 14.777 -3.791 1.00 0.00 C ATOM 28 CD LYS A 2 -11.860 14.521 -5.117 1.00 0.00 C ATOM 29 CE LYS A 2 -12.823 13.978 -6.162 1.00 0.00 C ATOM 30 NZ LYS A 2 -12.107 13.348 -7.306 1.00 0.00 N ATOM 0 H LYS A 2 -11.005 12.864 -0.220 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.316 12.458 -2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.001 15.057 -1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.647 14.863 -2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.450 14.149 -3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.900 15.812 -3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.414 15.447 -5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.046 13.812 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.484 13.245 -5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.453 14.788 -6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.800 12.991 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.495 14.054 -7.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.525 12.559 -6.959 1.00 0.00 H new ATOM 44 N PHE A 3 -9.899 11.226 -2.154 1.00 0.00 N ATOM 45 CA PHE A 3 -8.625 10.575 -2.451 1.00 0.00 C ATOM 46 C PHE A 3 -8.750 9.058 -2.337 1.00 0.00 C ATOM 47 O PHE A 3 -9.111 8.537 -1.281 1.00 0.00 O ATOM 48 CB PHE A 3 -7.530 11.086 -1.508 1.00 0.00 C ATOM 49 CG PHE A 3 -6.244 11.416 -2.211 1.00 0.00 C ATOM 50 CD1 PHE A 3 -6.097 12.617 -2.886 1.00 0.00 C ATOM 51 CD2 PHE A 3 -5.184 10.525 -2.199 1.00 0.00 C ATOM 52 CE1 PHE A 3 -4.917 12.920 -3.537 1.00 0.00 C ATOM 53 CE2 PHE A 3 -4.001 10.822 -2.847 1.00 0.00 C ATOM 54 CZ PHE A 3 -3.867 12.022 -3.518 1.00 0.00 C ATOM 0 H PHE A 3 -10.529 10.674 -1.573 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.350 10.822 -3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.892 11.975 -0.991 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -7.336 10.331 -0.746 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -6.914 13.324 -2.903 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -5.284 9.585 -1.676 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -4.815 13.859 -4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -3.183 10.118 -2.829 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.944 12.258 -4.027 1.00 0.00 H new ATOM 64 N ALA A 4 -8.450 8.355 -3.429 1.00 0.00 N ATOM 65 CA ALA A 4 -8.530 6.903 -3.454 1.00 0.00 C ATOM 66 C ALA A 4 -7.184 6.277 -3.806 1.00 0.00 C ATOM 67 O ALA A 4 -6.470 6.765 -4.684 1.00 0.00 O ATOM 68 CB ALA A 4 -9.601 6.444 -4.431 1.00 0.00 C ATOM 0 H ALA A 4 -8.149 8.774 -4.309 1.00 0.00 H new ATOM 0 HA ALA A 4 -8.802 6.568 -2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -9.646 5.355 -4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -10.567 6.846 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -9.358 6.802 -5.432 1.00 0.00 H new ATOM 74 N CYS A 5 -6.846 5.191 -3.109 1.00 0.00 N ATOM 75 CA CYS A 5 -5.586 4.487 -3.336 1.00 0.00 C ATOM 76 C CYS A 5 -5.530 3.889 -4.740 1.00 0.00 C ATOM 77 O CYS A 5 -6.562 3.559 -5.328 1.00 0.00 O ATOM 78 CB CYS A 5 -5.403 3.374 -2.302 1.00 0.00 C ATOM 79 SG CYS A 5 -5.579 3.916 -0.589 1.00 0.00 S ATOM 0 H CYS A 5 -7.430 4.780 -2.381 1.00 0.00 H new ATOM 0 HA CYS A 5 -4.780 5.214 -3.235 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -6.132 2.588 -2.499 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -4.415 2.932 -2.432 1.00 0.00 H new ATOM 0 HG CYS A 5 -6.177 2.990 0.100 1.00 0.00 H new ATOM 85 N PRO A 6 -4.312 3.730 -5.295 1.00 0.00 N ATOM 86 CA PRO A 6 -4.123 3.155 -6.633 1.00 0.00 C ATOM 87 C PRO A 6 -4.485 1.667 -6.691 1.00 0.00 C ATOM 88 O PRO A 6 -4.652 1.108 -7.776 1.00 0.00 O ATOM 89 CB PRO A 6 -2.627 3.353 -6.898 1.00 0.00 C ATOM 90 CG PRO A 6 -2.006 3.433 -5.547 1.00 0.00 C ATOM 91 CD PRO A 6 -3.028 4.087 -4.660 1.00 0.00 C ATOM 0 HA PRO A 6 -4.768 3.630 -7.372 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.215 2.524 -7.474 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.444 4.262 -7.471 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.746 2.441 -5.178 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.084 4.014 -5.575 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -2.969 3.715 -3.637 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.889 5.167 -4.615 1.00 0.00 H new ATOM 99 N GLU A 7 -4.600 1.029 -5.519 1.00 0.00 N ATOM 100 CA GLU A 7 -4.936 -0.389 -5.446 1.00 0.00 C ATOM 101 C GLU A 7 -6.372 -0.605 -4.963 1.00 0.00 C ATOM 102 O GLU A 7 -7.144 -1.315 -5.610 1.00 0.00 O ATOM 103 CB GLU A 7 -3.957 -1.117 -4.521 1.00 0.00 C ATOM 104 CG GLU A 7 -3.751 -2.582 -4.877 1.00 0.00 C ATOM 105 CD GLU A 7 -3.101 -2.769 -6.236 1.00 0.00 C ATOM 106 OE1 GLU A 7 -1.856 -2.702 -6.314 1.00 0.00 O ATOM 107 OE2 GLU A 7 -3.837 -2.982 -7.222 1.00 0.00 O ATOM 0 H GLU A 7 -4.464 1.476 -4.612 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.857 -0.800 -6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.995 -0.606 -4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.321 -1.049 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.131 -3.053 -4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.714 -3.093 -4.866 1.00 0.00 H new ATOM 114 N CYS A 8 -6.725 -0.003 -3.822 1.00 0.00 N ATOM 115 CA CYS A 8 -8.071 -0.154 -3.268 1.00 0.00 C ATOM 116 C CYS A 8 -8.938 1.073 -3.498 1.00 0.00 C ATOM 117 O CYS A 8 -8.463 2.148 -3.869 1.00 0.00 O ATOM 118 CB CYS A 8 -8.023 -0.476 -1.773 1.00 0.00 C ATOM 119 SG CYS A 8 -7.612 0.928 -0.709 1.00 0.00 S ATOM 0 H CYS A 8 -6.103 0.587 -3.270 1.00 0.00 H new ATOM 0 HA CYS A 8 -8.525 -0.989 -3.801 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -8.992 -0.873 -1.470 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.290 -1.266 -1.609 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.748 0.555 0.188 1.00 0.00 H new ATOM 125 N PRO A 9 -10.243 0.892 -3.273 1.00 0.00 N ATOM 126 CA PRO A 9 -11.255 1.932 -3.440 1.00 0.00 C ATOM 127 C PRO A 9 -11.411 2.846 -2.215 1.00 0.00 C ATOM 128 O PRO A 9 -12.248 3.751 -2.223 1.00 0.00 O ATOM 129 CB PRO A 9 -12.526 1.115 -3.663 1.00 0.00 C ATOM 130 CG PRO A 9 -12.317 -0.136 -2.871 1.00 0.00 C ATOM 131 CD PRO A 9 -10.829 -0.386 -2.838 1.00 0.00 C ATOM 0 HA PRO A 9 -11.001 2.619 -4.247 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.409 1.656 -3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.675 0.894 -4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.713 -0.025 -1.862 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.840 -0.976 -3.329 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.492 -0.659 -1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.547 -1.202 -3.504 1.00 0.00 H new ATOM 139 N LYS A 10 -10.612 2.606 -1.167 1.00 0.00 N ATOM 140 CA LYS A 10 -10.674 3.409 0.058 1.00 0.00 C ATOM 141 C LYS A 10 -10.575 4.902 -0.253 1.00 0.00 C ATOM 142 O LYS A 10 -9.599 5.356 -0.851 1.00 0.00 O ATOM 143 CB LYS A 10 -9.555 3.009 1.023 1.00 0.00 C ATOM 144 CG LYS A 10 -9.728 1.621 1.621 1.00 0.00 C ATOM 145 CD LYS A 10 -10.345 1.682 3.010 1.00 0.00 C ATOM 146 CE LYS A 10 -10.939 0.342 3.418 1.00 0.00 C ATOM 147 NZ LYS A 10 -9.887 -0.647 3.788 1.00 0.00 N ATOM 0 H LYS A 10 -9.915 1.861 -1.145 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.638 3.216 0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.601 3.052 0.497 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.506 3.739 1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.360 1.019 0.968 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.759 1.124 1.674 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.586 1.979 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.122 2.446 3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.613 0.487 4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.536 -0.055 2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.311 -1.410 4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.467 -1.047 2.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.147 -0.175 4.346 1.00 0.00 H new ATOM 161 N ARG A 11 -11.594 5.654 0.160 1.00 0.00 N ATOM 162 CA ARG A 11 -11.632 7.097 -0.071 1.00 0.00 C ATOM 163 C ARG A 11 -11.359 7.869 1.220 1.00 0.00 C ATOM 164 O ARG A 11 -12.185 7.879 2.137 1.00 0.00 O ATOM 165 CB ARG A 11 -12.986 7.518 -0.661 1.00 0.00 C ATOM 166 CG ARG A 11 -14.187 6.878 0.022 1.00 0.00 C ATOM 167 CD ARG A 11 -15.481 7.613 -0.303 1.00 0.00 C ATOM 168 NE ARG A 11 -15.993 8.361 0.848 1.00 0.00 N ATOM 169 CZ ARG A 11 -16.584 7.797 1.908 1.00 0.00 C ATOM 170 NH1 ARG A 11 -16.739 6.477 1.974 1.00 0.00 N ATOM 171 NH2 ARG A 11 -17.022 8.558 2.905 1.00 0.00 N ATOM 0 H ARG A 11 -12.406 5.287 0.657 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.847 7.338 -0.788 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.078 8.602 -0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.004 7.261 -1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -14.272 5.837 -0.291 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.032 6.874 1.101 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -15.310 8.298 -1.133 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -16.232 6.895 -0.632 1.00 0.00 H new ATOM 0 HE ARG A 11 -15.893 9.376 0.841 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -16.406 5.886 1.212 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -17.191 6.057 2.786 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -16.908 9.571 2.862 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -17.473 8.130 3.714 1.00 0.00 H new ATOM 185 N PHE A 12 -10.197 8.520 1.283 1.00 0.00 N ATOM 186 CA PHE A 12 -9.814 9.302 2.459 1.00 0.00 C ATOM 187 C PHE A 12 -10.067 10.790 2.217 1.00 0.00 C ATOM 188 O PHE A 12 -10.287 11.213 1.081 1.00 0.00 O ATOM 189 CB PHE A 12 -8.339 9.067 2.820 1.00 0.00 C ATOM 190 CG PHE A 12 -7.920 7.621 2.777 1.00 0.00 C ATOM 191 CD1 PHE A 12 -7.779 6.961 1.566 1.00 0.00 C ATOM 192 CD2 PHE A 12 -7.668 6.921 3.946 1.00 0.00 C ATOM 193 CE1 PHE A 12 -7.399 5.636 1.522 1.00 0.00 C ATOM 194 CE2 PHE A 12 -7.285 5.594 3.907 1.00 0.00 C ATOM 195 CZ PHE A 12 -7.151 4.951 2.692 1.00 0.00 C ATOM 0 H PHE A 12 -9.505 8.521 0.534 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.428 8.972 3.297 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.713 9.637 2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.154 9.459 3.820 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.969 7.492 0.645 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.772 7.419 4.899 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.296 5.135 0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.091 5.060 4.826 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.853 3.914 2.659 1.00 0.00 H new ATOM 205 N MET A 13 -10.040 11.576 3.293 1.00 0.00 N ATOM 206 CA MET A 13 -10.276 13.016 3.201 1.00 0.00 C ATOM 207 C MET A 13 -9.031 13.763 2.720 1.00 0.00 C ATOM 208 O MET A 13 -9.136 14.717 1.949 1.00 0.00 O ATOM 209 CB MET A 13 -10.718 13.567 4.560 1.00 0.00 C ATOM 210 CG MET A 13 -11.344 14.950 4.488 1.00 0.00 C ATOM 211 SD MET A 13 -12.376 15.321 5.920 1.00 0.00 S ATOM 212 CE MET A 13 -13.900 14.496 5.465 1.00 0.00 C ATOM 0 H MET A 13 -9.857 11.240 4.238 1.00 0.00 H new ATOM 0 HA MET A 13 -11.068 13.174 2.468 1.00 0.00 H new ATOM 0 HB2 MET A 13 -11.435 12.877 5.005 1.00 0.00 H new ATOM 0 HB3 MET A 13 -9.855 13.603 5.225 1.00 0.00 H new ATOM 0 HG2 MET A 13 -10.555 15.698 4.410 1.00 0.00 H new ATOM 0 HG3 MET A 13 -11.946 15.026 3.582 1.00 0.00 H new ATOM 0 HE1 MET A 13 -14.493 14.307 6.360 1.00 0.00 H new ATOM 0 HE2 MET A 13 -14.466 15.129 4.781 1.00 0.00 H new ATOM 0 HE3 MET A 13 -13.669 13.549 4.976 1.00 0.00 H new ATOM 222 N ARG A 14 -7.858 13.326 3.178 1.00 0.00 N ATOM 223 CA ARG A 14 -6.600 13.960 2.790 1.00 0.00 C ATOM 224 C ARG A 14 -5.704 12.983 2.040 1.00 0.00 C ATOM 225 O ARG A 14 -5.733 11.776 2.293 1.00 0.00 O ATOM 226 CB ARG A 14 -5.864 14.490 4.026 1.00 0.00 C ATOM 227 CG ARG A 14 -6.690 15.453 4.866 1.00 0.00 C ATOM 228 CD ARG A 14 -7.285 14.760 6.081 1.00 0.00 C ATOM 229 NE ARG A 14 -7.741 15.713 7.092 1.00 0.00 N ATOM 230 CZ ARG A 14 -6.943 16.282 8.000 1.00 0.00 C ATOM 231 NH1 ARG A 14 -5.641 16.005 8.027 1.00 0.00 N ATOM 232 NH2 ARG A 14 -7.450 17.133 8.885 1.00 0.00 N ATOM 0 H ARG A 14 -7.754 12.537 3.816 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.837 14.793 2.128 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.563 13.647 4.647 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.951 14.992 3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.064 16.284 5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.490 15.874 4.258 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.122 14.137 5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.540 14.096 6.520 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.731 15.959 7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.244 15.353 7.350 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.040 16.445 8.724 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.446 17.351 8.870 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.843 17.569 9.579 1.00 0.00 H new ATOM 246 N SER A 15 -4.901 13.514 1.117 1.00 0.00 N ATOM 247 CA SER A 15 -3.989 12.691 0.336 1.00 0.00 C ATOM 248 C SER A 15 -2.919 12.068 1.227 1.00 0.00 C ATOM 249 O SER A 15 -2.500 10.939 0.992 1.00 0.00 O ATOM 250 CB SER A 15 -3.340 13.514 -0.777 1.00 0.00 C ATOM 251 OG SER A 15 -2.301 14.341 -0.278 1.00 0.00 O ATOM 0 H SER A 15 -4.867 14.509 0.895 1.00 0.00 H new ATOM 0 HA SER A 15 -4.567 11.886 -0.118 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.939 12.845 -1.538 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.096 14.132 -1.262 1.00 0.00 H new ATOM 0 HG SER A 15 -1.907 14.852 -1.016 1.00 0.00 H new ATOM 257 N ASP A 16 -2.496 12.802 2.261 1.00 0.00 N ATOM 258 CA ASP A 16 -1.489 12.302 3.198 1.00 0.00 C ATOM 259 C ASP A 16 -2.053 11.133 4.006 1.00 0.00 C ATOM 260 O ASP A 16 -1.349 10.158 4.270 1.00 0.00 O ATOM 261 CB ASP A 16 -1.003 13.412 4.139 1.00 0.00 C ATOM 262 CG ASP A 16 -2.120 14.328 4.612 1.00 0.00 C ATOM 263 OD1 ASP A 16 -2.404 15.327 3.916 1.00 0.00 O ATOM 264 OD2 ASP A 16 -2.712 14.045 5.675 1.00 0.00 O ATOM 0 H ASP A 16 -2.835 13.741 2.469 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.634 11.955 2.618 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.521 12.959 5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.246 14.007 3.628 1.00 0.00 H new ATOM 269 N HIS A 17 -3.337 11.230 4.369 1.00 0.00 N ATOM 270 CA HIS A 17 -4.012 10.168 5.116 1.00 0.00 C ATOM 271 C HIS A 17 -3.967 8.867 4.320 1.00 0.00 C ATOM 272 O HIS A 17 -3.772 7.785 4.877 1.00 0.00 O ATOM 273 CB HIS A 17 -5.471 10.554 5.386 1.00 0.00 C ATOM 274 CG HIS A 17 -5.661 11.389 6.614 1.00 0.00 C ATOM 275 ND1 HIS A 17 -6.852 11.443 7.308 1.00 0.00 N ATOM 276 CD2 HIS A 17 -4.809 12.212 7.269 1.00 0.00 C ATOM 277 CE1 HIS A 17 -6.723 12.263 8.334 1.00 0.00 C ATOM 278 NE2 HIS A 17 -5.494 12.743 8.334 1.00 0.00 N ATOM 0 H HIS A 17 -3.928 12.034 4.157 1.00 0.00 H new ATOM 0 HA HIS A 17 -3.499 10.029 6.068 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.858 11.099 4.525 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.065 9.645 5.481 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.782 12.413 7.003 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.493 12.501 9.052 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.115 13.401 9.014 1.00 0.00 H new ATOM 287 N LEU A 18 -4.139 8.998 3.006 1.00 0.00 N ATOM 288 CA LEU A 18 -4.116 7.877 2.091 1.00 0.00 C ATOM 289 C LEU A 18 -2.685 7.501 1.752 1.00 0.00 C ATOM 290 O LEU A 18 -2.352 6.322 1.673 1.00 0.00 O ATOM 291 CB LEU A 18 -4.877 8.281 0.842 1.00 0.00 C ATOM 292 CG LEU A 18 -4.958 7.254 -0.280 1.00 0.00 C ATOM 293 CD1 LEU A 18 -6.157 7.572 -1.145 1.00 0.00 C ATOM 294 CD2 LEU A 18 -3.689 7.260 -1.116 1.00 0.00 C ATOM 0 H LEU A 18 -4.299 9.896 2.550 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.584 7.004 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.893 8.544 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.417 9.184 0.442 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.065 6.259 0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.226 6.843 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.063 7.531 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.047 8.571 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.773 6.518 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.548 8.247 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.835 7.019 -0.483 1.00 0.00 H new ATOM 306 N SER A 19 -1.840 8.518 1.573 1.00 0.00 N ATOM 307 CA SER A 19 -0.434 8.305 1.264 1.00 0.00 C ATOM 308 C SER A 19 0.222 7.463 2.358 1.00 0.00 C ATOM 309 O SER A 19 1.140 6.685 2.093 1.00 0.00 O ATOM 310 CB SER A 19 0.293 9.648 1.117 1.00 0.00 C ATOM 311 OG SER A 19 1.684 9.461 0.920 1.00 0.00 O ATOM 0 H SER A 19 -2.111 9.499 1.638 1.00 0.00 H new ATOM 0 HA SER A 19 -0.362 7.769 0.317 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.125 10.200 0.275 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.128 10.253 2.008 1.00 0.00 H new ATOM 0 HG SER A 19 2.122 10.333 0.828 1.00 0.00 H new ATOM 317 N LYS A 20 -0.281 7.610 3.584 1.00 0.00 N ATOM 318 CA LYS A 20 0.221 6.852 4.720 1.00 0.00 C ATOM 319 C LYS A 20 -0.447 5.479 4.775 1.00 0.00 C ATOM 320 O LYS A 20 0.169 4.504 5.211 1.00 0.00 O ATOM 321 CB LYS A 20 -0.032 7.615 6.023 1.00 0.00 C ATOM 322 CG LYS A 20 0.950 7.271 7.133 1.00 0.00 C ATOM 323 CD LYS A 20 0.280 7.295 8.499 1.00 0.00 C ATOM 324 CE LYS A 20 -0.071 5.894 8.978 1.00 0.00 C ATOM 325 NZ LYS A 20 -1.318 5.380 8.346 1.00 0.00 N ATOM 0 H LYS A 20 -1.040 8.252 3.812 1.00 0.00 H new ATOM 0 HA LYS A 20 1.296 6.715 4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.020 8.685 5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.044 7.403 6.367 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.374 6.283 6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.778 7.980 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.943 7.771 9.221 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.625 7.900 8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.754 5.218 8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.191 5.902 10.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.658 4.551 8.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.046 6.123 8.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.121 5.107 7.362 1.00 0.00 H new ATOM 339 N HIS A 21 -1.709 5.403 4.327 1.00 0.00 N ATOM 340 CA HIS A 21 -2.441 4.138 4.330 1.00 0.00 C ATOM 341 C HIS A 21 -1.979 3.227 3.188 1.00 0.00 C ATOM 342 O HIS A 21 -1.972 2.013 3.333 1.00 0.00 O ATOM 343 CB HIS A 21 -3.955 4.392 4.248 1.00 0.00 C ATOM 344 CG HIS A 21 -4.732 3.301 3.565 1.00 0.00 C ATOM 345 ND1 HIS A 21 -5.704 2.540 4.177 1.00 0.00 N ATOM 346 CD2 HIS A 21 -4.674 2.869 2.283 1.00 0.00 C ATOM 347 CE1 HIS A 21 -6.197 1.691 3.263 1.00 0.00 C ATOM 348 NE2 HIS A 21 -5.605 1.852 2.093 1.00 0.00 N ATOM 0 H HIS A 21 -2.236 6.197 3.962 1.00 0.00 H new ATOM 0 HA HIS A 21 -2.227 3.627 5.269 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -4.345 4.521 5.258 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -4.126 5.329 3.718 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -5.997 2.610 5.152 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -4.008 3.254 1.525 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -6.977 0.970 3.458 1.00 0.00 H new ATOM 356 N ILE A 22 -1.612 3.806 2.047 1.00 0.00 N ATOM 357 CA ILE A 22 -1.169 3.004 0.899 1.00 0.00 C ATOM 358 C ILE A 22 0.091 2.209 1.209 1.00 0.00 C ATOM 359 O ILE A 22 0.171 1.031 0.885 1.00 0.00 O ATOM 360 CB ILE A 22 -0.939 3.837 -0.386 1.00 0.00 C ATOM 361 CG1 ILE A 22 -0.431 5.237 -0.059 1.00 0.00 C ATOM 362 CG2 ILE A 22 -2.217 3.915 -1.208 1.00 0.00 C ATOM 363 CD1 ILE A 22 0.872 5.582 -0.745 1.00 0.00 C ATOM 0 H ILE A 22 -1.611 4.814 1.889 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.994 2.318 0.709 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.173 3.333 -0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.188 5.966 -0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.299 5.324 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.036 4.504 -2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.530 2.910 -1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.002 4.387 -0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.173 6.592 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.643 4.876 -0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.740 5.528 -1.826 1.00 0.00 H new ATOM 375 N THR A 23 1.070 2.847 1.829 1.00 0.00 N ATOM 376 CA THR A 23 2.321 2.171 2.170 1.00 0.00 C ATOM 377 C THR A 23 2.075 0.898 2.995 1.00 0.00 C ATOM 378 O THR A 23 2.833 -0.066 2.886 1.00 0.00 O ATOM 379 CB THR A 23 3.255 3.121 2.927 1.00 0.00 C ATOM 380 OG1 THR A 23 3.361 4.364 2.254 1.00 0.00 O ATOM 381 CG2 THR A 23 4.657 2.575 3.100 1.00 0.00 C ATOM 0 H THR A 23 1.028 3.827 2.107 1.00 0.00 H new ATOM 0 HA THR A 23 2.797 1.874 1.235 1.00 0.00 H new ATOM 0 HB THR A 23 2.804 3.240 3.912 1.00 0.00 H new ATOM 0 HG1 THR A 23 3.960 4.957 2.754 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.265 3.298 3.644 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.617 1.641 3.660 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.100 2.393 2.121 1.00 0.00 H new ATOM 389 N LEU A 24 1.015 0.897 3.805 1.00 0.00 N ATOM 390 CA LEU A 24 0.672 -0.264 4.636 1.00 0.00 C ATOM 391 C LEU A 24 -0.380 -1.140 3.952 1.00 0.00 C ATOM 392 O LEU A 24 -0.276 -2.368 3.968 1.00 0.00 O ATOM 393 CB LEU A 24 0.149 0.189 6.001 1.00 0.00 C ATOM 394 CG LEU A 24 -1.014 1.175 5.928 1.00 0.00 C ATOM 395 CD1 LEU A 24 -2.351 0.460 6.057 1.00 0.00 C ATOM 396 CD2 LEU A 24 -0.879 2.259 6.983 1.00 0.00 C ATOM 0 H LEU A 24 0.377 1.687 3.905 1.00 0.00 H new ATOM 0 HA LEU A 24 1.580 -0.851 4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.167 -0.688 6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.966 0.649 6.557 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.981 1.651 4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.160 1.188 6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.457 -0.262 5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.395 -0.059 7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.721 2.947 6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.870 1.804 7.973 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.051 2.805 6.826 1.00 0.00 H new ATOM 408 N HIS A 25 -1.390 -0.501 3.353 1.00 0.00 N ATOM 409 CA HIS A 25 -2.458 -1.220 2.664 1.00 0.00 C ATOM 410 C HIS A 25 -1.917 -1.892 1.402 1.00 0.00 C ATOM 411 O HIS A 25 -2.409 -2.944 0.995 1.00 0.00 O ATOM 412 CB HIS A 25 -3.637 -0.273 2.359 1.00 0.00 C ATOM 413 CG HIS A 25 -4.006 -0.148 0.911 1.00 0.00 C ATOM 414 ND1 HIS A 25 -3.864 0.903 0.060 1.00 0.00 N flip ATOM 415 CD2 HIS A 25 -4.636 -1.137 0.191 1.00 0.00 C flip ATOM 416 CE1 HIS A 25 -4.399 0.563 -1.172 1.00 0.00 C flip ATOM 417 NE2 HIS A 25 -4.853 -0.669 -1.043 1.00 0.00 N flip ATOM 0 H HIS A 25 -1.487 0.514 3.333 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.837 -2.007 3.315 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -4.511 -0.620 2.910 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -3.392 0.718 2.741 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.907 -2.116 0.557 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.437 1.180 -2.057 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.310 -1.196 -1.787 1.00 0.00 H new ATOM 425 N GLU A 26 -0.876 -1.300 0.810 1.00 0.00 N ATOM 426 CA GLU A 26 -0.246 -1.870 -0.372 1.00 0.00 C ATOM 427 C GLU A 26 0.807 -2.894 0.050 1.00 0.00 C ATOM 428 O GLU A 26 1.107 -3.829 -0.695 1.00 0.00 O ATOM 429 CB GLU A 26 0.396 -0.776 -1.230 1.00 0.00 C ATOM 430 CG GLU A 26 0.888 -1.269 -2.582 1.00 0.00 C ATOM 431 CD GLU A 26 -0.248 -1.597 -3.532 1.00 0.00 C ATOM 432 OE1 GLU A 26 -0.749 -2.740 -3.486 1.00 0.00 O ATOM 433 OE2 GLU A 26 -0.636 -0.710 -4.323 1.00 0.00 O ATOM 0 H GLU A 26 -0.456 -0.428 1.133 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.012 -2.364 -0.970 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.329 0.023 -1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.234 -0.343 -0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.525 -0.508 -3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.505 -2.156 -2.439 1.00 0.00 H new ATOM 440 N LEU A 27 1.358 -2.716 1.259 1.00 0.00 N ATOM 441 CA LEU A 27 2.369 -3.631 1.785 1.00 0.00 C ATOM 442 C LEU A 27 1.749 -4.988 2.127 1.00 0.00 C ATOM 443 O LEU A 27 2.278 -6.034 1.745 1.00 0.00 O ATOM 444 CB LEU A 27 3.044 -3.025 3.026 1.00 0.00 C ATOM 445 CG LEU A 27 3.336 -4.005 4.169 1.00 0.00 C ATOM 446 CD1 LEU A 27 4.763 -4.527 4.085 1.00 0.00 C ATOM 447 CD2 LEU A 27 3.072 -3.355 5.519 1.00 0.00 C ATOM 0 H LEU A 27 1.119 -1.948 1.886 1.00 0.00 H new ATOM 0 HA LEU A 27 3.124 -3.785 1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.983 -2.565 2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.408 -2.227 3.410 1.00 0.00 H new ATOM 0 HG LEU A 27 2.662 -4.855 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.946 -5.220 4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.906 -5.043 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.460 -3.692 4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.286 -4.069 6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.713 -2.481 5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.027 -3.049 5.577 1.00 0.00 H new ATOM 458 N LEU A 28 0.630 -4.961 2.852 1.00 0.00 N ATOM 459 CA LEU A 28 -0.061 -6.185 3.254 1.00 0.00 C ATOM 460 C LEU A 28 -1.183 -6.536 2.277 1.00 0.00 C ATOM 461 O LEU A 28 -1.189 -7.624 1.697 1.00 0.00 O ATOM 462 CB LEU A 28 -0.625 -6.030 4.670 1.00 0.00 C ATOM 463 CG LEU A 28 -0.490 -7.264 5.570 1.00 0.00 C ATOM 464 CD1 LEU A 28 -1.313 -8.421 5.021 1.00 0.00 C ATOM 465 CD2 LEU A 28 0.972 -7.663 5.717 1.00 0.00 C ATOM 0 H LEU A 28 0.183 -4.102 3.173 1.00 0.00 H new ATOM 0 HA LEU A 28 0.663 -7.000 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.123 -5.192 5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.681 -5.769 4.596 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.875 -7.012 6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.204 -9.287 5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.363 -8.131 4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.962 -8.674 4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.047 -8.541 6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.386 -7.895 4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.531 -6.839 6.161 1.00 0.00 H new ATOM 477 N GLY A 29 -2.131 -5.613 2.103 1.00 0.00 N ATOM 478 CA GLY A 29 -3.247 -5.848 1.201 1.00 0.00 C ATOM 479 C GLY A 29 -4.416 -6.519 1.893 1.00 0.00 C ATOM 480 O GLY A 29 -4.634 -7.721 1.728 1.00 0.00 O ATOM 0 H GLY A 29 -2.144 -4.707 2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.575 -4.899 0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.914 -6.470 0.370 1.00 0.00 H new ATOM 484 N GLU A 30 -5.166 -5.742 2.674 1.00 0.00 N ATOM 485 CA GLU A 30 -6.319 -6.267 3.402 1.00 0.00 C ATOM 486 C GLU A 30 -7.345 -5.169 3.682 1.00 0.00 C ATOM 487 O GLU A 30 -7.004 -3.985 3.738 1.00 0.00 O ATOM 488 CB GLU A 30 -5.866 -6.915 4.718 1.00 0.00 C ATOM 489 CG GLU A 30 -5.525 -5.918 5.819 1.00 0.00 C ATOM 490 CD GLU A 30 -4.091 -5.428 5.745 1.00 0.00 C ATOM 491 OE1 GLU A 30 -3.814 -4.512 4.940 1.00 0.00 O ATOM 492 OE2 GLU A 30 -3.245 -5.958 6.496 1.00 0.00 O ATOM 0 H GLU A 30 -4.995 -4.747 2.818 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.795 -7.023 2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.655 -7.577 5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.992 -7.536 4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.200 -5.065 5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.695 -6.383 6.790 1.00 0.00 H new ATOM 499 N GLU A 31 -8.602 -5.574 3.866 1.00 0.00 N ATOM 500 CA GLU A 31 -9.680 -4.630 4.148 1.00 0.00 C ATOM 501 C GLU A 31 -10.091 -4.689 5.618 1.00 0.00 C ATOM 502 O GLU A 31 -9.779 -5.649 6.326 1.00 0.00 O ATOM 503 CB GLU A 31 -10.888 -4.914 3.252 1.00 0.00 C ATOM 504 CG GLU A 31 -10.647 -4.595 1.783 1.00 0.00 C ATOM 505 CD GLU A 31 -10.287 -3.138 1.548 1.00 0.00 C ATOM 506 OE1 GLU A 31 -9.086 -2.802 1.627 1.00 0.00 O ATOM 507 OE2 GLU A 31 -11.207 -2.334 1.284 1.00 0.00 O ATOM 0 H GLU A 31 -8.897 -6.549 3.825 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.311 -3.627 3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.161 -5.965 3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.738 -4.331 3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.844 -5.228 1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.542 -4.840 1.211 1.00 0.00 H new ATOM 514 N ARG A 32 -10.796 -3.651 6.067 1.00 0.00 N ATOM 515 CA ARG A 32 -11.258 -3.567 7.451 1.00 0.00 C ATOM 516 C ARG A 32 -12.314 -4.631 7.745 1.00 0.00 C ATOM 517 O ARG A 32 -13.231 -4.846 6.949 1.00 0.00 O ATOM 518 CB ARG A 32 -11.828 -2.175 7.734 1.00 0.00 C ATOM 519 CG ARG A 32 -11.988 -1.870 9.216 1.00 0.00 C ATOM 520 CD ARG A 32 -13.354 -1.276 9.520 1.00 0.00 C ATOM 521 NE ARG A 32 -14.437 -2.234 9.292 1.00 0.00 N ATOM 522 CZ ARG A 32 -15.729 -1.901 9.208 1.00 0.00 C ATOM 523 NH1 ARG A 32 -16.110 -0.633 9.348 1.00 0.00 N ATOM 524 NH2 ARG A 32 -16.642 -2.841 8.989 1.00 0.00 N ATOM 0 H ARG A 32 -11.060 -2.853 5.489 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.403 -3.745 8.103 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.174 -1.426 7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.798 -2.083 7.246 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.851 -2.784 9.793 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.210 -1.175 9.531 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.380 -0.941 10.557 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.512 -0.396 8.897 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.190 -3.218 9.191 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.414 0.093 9.521 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -17.098 -0.387 9.283 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -16.357 -3.815 8.885 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -17.628 -2.589 8.925 1.00 0.00 H new ATOM 538 N ARG A 33 -12.178 -5.290 8.896 1.00 0.00 N ATOM 539 CA ARG A 33 -13.118 -6.331 9.306 1.00 0.00 C ATOM 540 C ARG A 33 -14.458 -5.723 9.721 1.00 0.00 C ATOM 541 O ARG A 33 -14.473 -4.908 10.670 1.00 0.00 O ATOM 542 CB ARG A 33 -12.538 -7.155 10.461 1.00 0.00 C ATOM 543 CG ARG A 33 -11.323 -7.983 10.075 1.00 0.00 C ATOM 544 CD ARG A 33 -11.719 -9.231 9.299 1.00 0.00 C ATOM 545 NE ARG A 33 -11.799 -8.982 7.859 1.00 0.00 N ATOM 546 CZ ARG A 33 -12.359 -9.824 6.986 1.00 0.00 C ATOM 547 NH1 ARG A 33 -12.885 -10.974 7.399 1.00 0.00 N ATOM 548 NH2 ARG A 33 -12.394 -9.514 5.695 1.00 0.00 N ATOM 0 H ARG A 33 -11.424 -5.120 9.562 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.285 -6.988 8.452 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.264 -6.482 11.273 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.312 -7.820 10.845 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.647 -7.378 9.471 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.777 -8.271 10.974 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.993 -10.022 9.490 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.683 -9.590 9.658 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.403 -8.113 7.500 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.863 -11.219 8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.311 -11.611 6.726 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.994 -8.634 5.371 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.821 -10.156 5.028 1.00 0.00 H new TER 562 ARG A 33