USER MOD reduce.3.24.130724 H: found=0, std=0, add=285, rem=0, adj=10 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 43:sc= -2.77 USER MOD Set 1.2: A 8 CYS SG : rot 180:sc= -2.99! USER MOD Set 1.3: A 21 HIS : no HE2:sc= -9.18! C(o=-24!,f=-26!) USER MOD Set 1.4: A 25 HIS :FLIP no HD1:sc= -8.76! C(o=-28!,f=-24!) USER MOD Set 2.1: A 1 TYR N :NH3+ -139:sc= 1.3 (180deg=-0.00881) USER MOD Set 2.2: A 13 MET CE :methyl -173:sc= 0 (180deg=-0.0857) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -1.95 K(o=-2,f=-2.5!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 82:sc= 0.0917 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -13.452 14.630 0.503 1.00 0.00 N ATOM 2 CA TYR A 1 -13.157 13.170 0.543 1.00 0.00 C ATOM 3 C TYR A 1 -13.163 12.560 -0.862 1.00 0.00 C ATOM 4 O TYR A 1 -13.931 11.640 -1.153 1.00 0.00 O ATOM 5 CB TYR A 1 -14.193 12.470 1.442 1.00 0.00 C ATOM 6 CG TYR A 1 -15.627 12.898 1.192 1.00 0.00 C ATOM 7 CD1 TYR A 1 -16.173 13.987 1.860 1.00 0.00 C ATOM 8 CD2 TYR A 1 -16.432 12.211 0.291 1.00 0.00 C ATOM 9 CE1 TYR A 1 -17.478 14.380 1.637 1.00 0.00 C ATOM 10 CE2 TYR A 1 -17.738 12.599 0.062 1.00 0.00 C ATOM 11 CZ TYR A 1 -18.256 13.684 0.737 1.00 0.00 C ATOM 12 OH TYR A 1 -19.556 14.073 0.511 1.00 0.00 O ATOM 0 H1 TYR A 1 -12.832 15.128 1.173 1.00 0.00 H new ATOM 0 H2 TYR A 1 -13.285 14.992 -0.458 1.00 0.00 H new ATOM 0 H3 TYR A 1 -14.445 14.791 0.766 1.00 0.00 H new ATOM 0 HA TYR A 1 -12.158 13.025 0.955 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -14.117 11.393 1.294 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -13.944 12.667 2.485 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -15.567 14.535 2.566 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -16.030 11.360 -0.239 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -17.887 15.229 2.165 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -18.350 12.055 -0.642 1.00 0.00 H new ATOM 0 HH TYR A 1 -19.965 13.478 -0.152 1.00 0.00 H new ATOM 22 N LYS A 2 -12.293 13.076 -1.729 1.00 0.00 N ATOM 23 CA LYS A 2 -12.190 12.587 -3.101 1.00 0.00 C ATOM 24 C LYS A 2 -10.760 12.145 -3.412 1.00 0.00 C ATOM 25 O LYS A 2 -10.141 12.622 -4.366 1.00 0.00 O ATOM 26 CB LYS A 2 -12.645 13.671 -4.086 1.00 0.00 C ATOM 27 CG LYS A 2 -14.141 13.942 -4.046 1.00 0.00 C ATOM 28 CD LYS A 2 -14.916 12.923 -4.868 1.00 0.00 C ATOM 29 CE LYS A 2 -15.059 13.364 -6.317 1.00 0.00 C ATOM 30 NZ LYS A 2 -14.707 12.276 -7.271 1.00 0.00 N ATOM 0 H LYS A 2 -11.649 13.834 -1.504 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.844 11.721 -3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.111 14.596 -3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.365 13.372 -5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.488 13.917 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.340 14.944 -4.426 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.407 11.960 -4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.904 12.779 -4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.084 13.686 -6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.417 14.226 -6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.818 12.620 -8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.720 11.985 -7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.336 11.462 -7.117 1.00 0.00 H new ATOM 44 N PHE A 3 -10.242 11.231 -2.592 1.00 0.00 N ATOM 45 CA PHE A 3 -8.887 10.717 -2.765 1.00 0.00 C ATOM 46 C PHE A 3 -8.826 9.235 -2.397 1.00 0.00 C ATOM 47 O PHE A 3 -8.922 8.875 -1.221 1.00 0.00 O ATOM 48 CB PHE A 3 -7.908 11.523 -1.905 1.00 0.00 C ATOM 49 CG PHE A 3 -6.511 11.587 -2.462 1.00 0.00 C ATOM 50 CD1 PHE A 3 -5.603 10.578 -2.198 1.00 0.00 C ATOM 51 CD2 PHE A 3 -6.105 12.661 -3.238 1.00 0.00 C ATOM 52 CE1 PHE A 3 -4.316 10.630 -2.695 1.00 0.00 C ATOM 53 CE2 PHE A 3 -4.818 12.723 -3.739 1.00 0.00 C ATOM 54 CZ PHE A 3 -3.922 11.705 -3.468 1.00 0.00 C ATOM 0 H PHE A 3 -10.744 10.831 -1.799 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.603 10.821 -3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -8.290 12.538 -1.793 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -7.871 11.084 -0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -5.905 9.736 -1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.801 13.458 -3.454 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.620 9.833 -2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.513 13.566 -4.341 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.917 11.750 -3.860 1.00 0.00 H new ATOM 64 N ALA A 4 -8.678 8.381 -3.411 1.00 0.00 N ATOM 65 CA ALA A 4 -8.612 6.943 -3.205 1.00 0.00 C ATOM 66 C ALA A 4 -7.240 6.386 -3.577 1.00 0.00 C ATOM 67 O ALA A 4 -6.578 6.892 -4.485 1.00 0.00 O ATOM 68 CB ALA A 4 -9.704 6.242 -4.001 1.00 0.00 C ATOM 0 H ALA A 4 -8.602 8.668 -4.387 1.00 0.00 H new ATOM 0 HA ALA A 4 -8.771 6.752 -2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -9.641 5.166 -3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -10.680 6.602 -3.676 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -9.574 6.455 -5.062 1.00 0.00 H new ATOM 74 N CYS A 5 -6.819 5.340 -2.863 1.00 0.00 N ATOM 75 CA CYS A 5 -5.525 4.707 -3.104 1.00 0.00 C ATOM 76 C CYS A 5 -5.471 4.067 -4.490 1.00 0.00 C ATOM 77 O CYS A 5 -6.500 3.673 -5.042 1.00 0.00 O ATOM 78 CB CYS A 5 -5.249 3.639 -2.042 1.00 0.00 C ATOM 79 SG CYS A 5 -5.577 4.169 -0.345 1.00 0.00 S ATOM 0 H CYS A 5 -7.360 4.913 -2.111 1.00 0.00 H new ATOM 0 HA CYS A 5 -4.762 5.484 -3.049 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.858 2.762 -2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -4.207 3.330 -2.118 1.00 0.00 H new ATOM 0 HG CYS A 5 -6.699 4.825 -0.304 1.00 0.00 H new ATOM 85 N PRO A 6 -4.261 3.938 -5.065 1.00 0.00 N ATOM 86 CA PRO A 6 -4.079 3.321 -6.383 1.00 0.00 C ATOM 87 C PRO A 6 -4.391 1.821 -6.370 1.00 0.00 C ATOM 88 O PRO A 6 -4.551 1.206 -7.426 1.00 0.00 O ATOM 89 CB PRO A 6 -2.598 3.562 -6.692 1.00 0.00 C ATOM 90 CG PRO A 6 -1.950 3.723 -5.361 1.00 0.00 C ATOM 91 CD PRO A 6 -2.979 4.364 -4.471 1.00 0.00 C ATOM 0 HA PRO A 6 -4.753 3.744 -7.127 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.168 2.725 -7.242 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.462 4.451 -7.308 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.635 2.759 -4.961 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.057 4.344 -5.435 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -2.883 4.027 -3.439 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.882 5.450 -4.462 1.00 0.00 H new ATOM 99 N GLU A 7 -4.477 1.236 -5.167 1.00 0.00 N ATOM 100 CA GLU A 7 -4.768 -0.186 -5.017 1.00 0.00 C ATOM 101 C GLU A 7 -6.232 -0.417 -4.633 1.00 0.00 C ATOM 102 O GLU A 7 -6.931 -1.185 -5.295 1.00 0.00 O ATOM 103 CB GLU A 7 -3.843 -0.808 -3.967 1.00 0.00 C ATOM 104 CG GLU A 7 -2.933 -1.894 -4.521 1.00 0.00 C ATOM 105 CD GLU A 7 -3.510 -3.285 -4.344 1.00 0.00 C ATOM 106 OE1 GLU A 7 -4.329 -3.701 -5.191 1.00 0.00 O ATOM 107 OE2 GLU A 7 -3.144 -3.959 -3.358 1.00 0.00 O ATOM 0 H GLU A 7 -4.348 1.732 -4.285 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.592 -0.668 -5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.230 -0.023 -3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.449 -1.229 -3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.757 -1.710 -5.581 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.965 -1.840 -4.023 1.00 0.00 H new ATOM 114 N CYS A 8 -6.692 0.244 -3.563 1.00 0.00 N ATOM 115 CA CYS A 8 -8.078 0.087 -3.110 1.00 0.00 C ATOM 116 C CYS A 8 -8.941 1.290 -3.450 1.00 0.00 C ATOM 117 O CYS A 8 -8.451 2.379 -3.749 1.00 0.00 O ATOM 118 CB CYS A 8 -8.156 -0.181 -1.606 1.00 0.00 C ATOM 119 SG CYS A 8 -7.660 1.207 -0.554 1.00 0.00 S ATOM 0 H CYS A 8 -6.132 0.885 -3.001 1.00 0.00 H new ATOM 0 HA CYS A 8 -8.467 -0.777 -3.648 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.179 -0.460 -1.355 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.525 -1.038 -1.372 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.768 0.865 0.695 1.00 0.00 H new ATOM 125 N PRO A 9 -10.259 1.073 -3.396 1.00 0.00 N ATOM 126 CA PRO A 9 -11.266 2.091 -3.683 1.00 0.00 C ATOM 127 C PRO A 9 -11.612 2.968 -2.469 1.00 0.00 C ATOM 128 O PRO A 9 -12.479 3.840 -2.561 1.00 0.00 O ATOM 129 CB PRO A 9 -12.470 1.244 -4.090 1.00 0.00 C ATOM 130 CG PRO A 9 -12.342 -0.009 -3.282 1.00 0.00 C ATOM 131 CD PRO A 9 -10.866 -0.220 -3.040 1.00 0.00 C ATOM 0 HA PRO A 9 -10.927 2.803 -4.436 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.407 1.759 -3.877 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.460 1.029 -5.159 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.880 0.082 -2.338 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.772 -0.858 -3.813 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.665 -0.483 -2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.472 -1.029 -3.655 1.00 0.00 H new ATOM 139 N LYS A 10 -10.939 2.728 -1.338 1.00 0.00 N ATOM 140 CA LYS A 10 -11.183 3.488 -0.112 1.00 0.00 C ATOM 141 C LYS A 10 -11.049 4.989 -0.342 1.00 0.00 C ATOM 142 O LYS A 10 -10.032 5.462 -0.851 1.00 0.00 O ATOM 143 CB LYS A 10 -10.211 3.054 0.988 1.00 0.00 C ATOM 144 CG LYS A 10 -10.656 1.812 1.743 1.00 0.00 C ATOM 145 CD LYS A 10 -9.909 1.667 3.059 1.00 0.00 C ATOM 146 CE LYS A 10 -9.974 0.241 3.583 1.00 0.00 C ATOM 147 NZ LYS A 10 -9.386 0.121 4.947 1.00 0.00 N ATOM 0 H LYS A 10 -10.219 2.011 -1.249 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.207 3.279 0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.233 2.867 0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.088 3.874 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.728 1.865 1.935 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.486 0.929 1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.868 1.958 2.921 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.335 2.347 3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.012 -0.090 3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.443 -0.421 2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.450 -0.866 5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.388 0.413 4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.909 0.733 5.606 1.00 0.00 H new ATOM 161 N ARG A 11 -12.080 5.730 0.052 1.00 0.00 N ATOM 162 CA ARG A 11 -12.086 7.184 -0.091 1.00 0.00 C ATOM 163 C ARG A 11 -11.701 7.851 1.229 1.00 0.00 C ATOM 164 O ARG A 11 -12.412 7.730 2.228 1.00 0.00 O ATOM 165 CB ARG A 11 -13.460 7.684 -0.558 1.00 0.00 C ATOM 166 CG ARG A 11 -14.632 7.094 0.214 1.00 0.00 C ATOM 167 CD ARG A 11 -15.808 8.059 0.271 1.00 0.00 C ATOM 168 NE ARG A 11 -16.451 8.221 -1.033 1.00 0.00 N ATOM 169 CZ ARG A 11 -17.295 7.336 -1.570 1.00 0.00 C ATOM 170 NH1 ARG A 11 -17.603 6.215 -0.920 1.00 0.00 N ATOM 171 NH2 ARG A 11 -17.834 7.574 -2.760 1.00 0.00 N ATOM 0 H ARG A 11 -12.926 5.347 0.474 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.350 7.452 -0.848 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.489 8.770 -0.468 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.580 7.449 -1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -14.947 6.163 -0.257 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.314 6.847 1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -16.540 7.696 0.993 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -15.463 9.030 0.628 1.00 0.00 H new ATOM 0 HE ARG A 11 -16.241 9.065 -1.567 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -17.193 6.027 -0.005 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -18.248 5.544 -1.337 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -17.603 8.431 -3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -18.479 6.899 -3.172 1.00 0.00 H new ATOM 185 N PHE A 12 -10.568 8.553 1.224 1.00 0.00 N ATOM 186 CA PHE A 12 -10.084 9.238 2.422 1.00 0.00 C ATOM 187 C PHE A 12 -10.447 10.723 2.368 1.00 0.00 C ATOM 188 O PHE A 12 -11.068 11.184 1.409 1.00 0.00 O ATOM 189 CB PHE A 12 -8.563 9.085 2.570 1.00 0.00 C ATOM 190 CG PHE A 12 -8.056 7.660 2.585 1.00 0.00 C ATOM 191 CD1 PHE A 12 -8.318 6.788 1.534 1.00 0.00 C ATOM 192 CD2 PHE A 12 -7.292 7.201 3.648 1.00 0.00 C ATOM 193 CE1 PHE A 12 -7.833 5.492 1.551 1.00 0.00 C ATOM 194 CE2 PHE A 12 -6.803 5.907 3.667 1.00 0.00 C ATOM 195 CZ PHE A 12 -7.074 5.050 2.617 1.00 0.00 C ATOM 0 H PHE A 12 -9.969 8.662 0.405 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.565 8.779 3.286 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.079 9.617 1.751 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.253 9.573 3.494 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.907 7.126 0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.076 7.864 4.473 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.048 4.825 0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.209 5.566 4.502 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.694 4.039 2.630 1.00 0.00 H new ATOM 205 N MET A 13 -10.055 11.468 3.403 1.00 0.00 N ATOM 206 CA MET A 13 -10.339 12.901 3.474 1.00 0.00 C ATOM 207 C MET A 13 -9.228 13.728 2.821 1.00 0.00 C ATOM 208 O MET A 13 -9.502 14.747 2.186 1.00 0.00 O ATOM 209 CB MET A 13 -10.522 13.332 4.932 1.00 0.00 C ATOM 210 CG MET A 13 -11.416 14.550 5.101 1.00 0.00 C ATOM 211 SD MET A 13 -13.161 14.172 4.848 1.00 0.00 S ATOM 212 CE MET A 13 -13.779 15.767 4.314 1.00 0.00 C ATOM 0 H MET A 13 -9.540 11.102 4.204 1.00 0.00 H new ATOM 0 HA MET A 13 -11.262 13.083 2.924 1.00 0.00 H new ATOM 0 HB2 MET A 13 -10.944 12.501 5.497 1.00 0.00 H new ATOM 0 HB3 MET A 13 -9.544 13.547 5.364 1.00 0.00 H new ATOM 0 HG2 MET A 13 -11.279 14.961 6.101 1.00 0.00 H new ATOM 0 HG3 MET A 13 -11.109 15.322 4.395 1.00 0.00 H new ATOM 0 HE1 MET A 13 -14.866 15.729 4.237 1.00 0.00 H new ATOM 0 HE2 MET A 13 -13.493 16.529 5.039 1.00 0.00 H new ATOM 0 HE3 MET A 13 -13.355 16.014 3.341 1.00 0.00 H new ATOM 222 N ARG A 14 -7.977 13.291 2.986 1.00 0.00 N ATOM 223 CA ARG A 14 -6.829 14.000 2.418 1.00 0.00 C ATOM 224 C ARG A 14 -5.898 13.045 1.677 1.00 0.00 C ATOM 225 O ARG A 14 -5.962 11.832 1.871 1.00 0.00 O ATOM 226 CB ARG A 14 -6.047 14.717 3.523 1.00 0.00 C ATOM 227 CG ARG A 14 -6.869 15.728 4.305 1.00 0.00 C ATOM 228 CD ARG A 14 -6.122 16.210 5.539 1.00 0.00 C ATOM 229 NE ARG A 14 -5.095 17.199 5.209 1.00 0.00 N ATOM 230 CZ ARG A 14 -3.961 17.364 5.898 1.00 0.00 C ATOM 231 NH1 ARG A 14 -3.700 16.614 6.967 1.00 0.00 N ATOM 232 NH2 ARG A 14 -3.084 18.285 5.514 1.00 0.00 N ATOM 0 H ARG A 14 -7.734 12.449 3.508 1.00 0.00 H new ATOM 0 HA ARG A 14 -7.213 14.732 1.707 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.651 13.974 4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.192 15.226 3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.107 16.578 3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.816 15.278 4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.830 16.645 6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.658 15.359 6.037 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.255 17.801 4.401 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.368 15.905 7.268 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.832 16.749 7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.277 18.863 4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.218 18.414 6.037 1.00 0.00 H new ATOM 246 N SER A 15 -5.025 13.605 0.839 1.00 0.00 N ATOM 247 CA SER A 15 -4.067 12.811 0.075 1.00 0.00 C ATOM 248 C SER A 15 -3.079 12.105 1.004 1.00 0.00 C ATOM 249 O SER A 15 -2.780 10.924 0.820 1.00 0.00 O ATOM 250 CB SER A 15 -3.312 13.704 -0.913 1.00 0.00 C ATOM 251 OG SER A 15 -2.715 14.811 -0.257 1.00 0.00 O ATOM 0 H SER A 15 -4.963 14.609 0.673 1.00 0.00 H new ATOM 0 HA SER A 15 -4.619 12.052 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.543 13.121 -1.419 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.998 14.061 -1.681 1.00 0.00 H new ATOM 0 HG SER A 15 -2.239 15.362 -0.913 1.00 0.00 H new ATOM 257 N ASP A 16 -2.585 12.835 2.009 1.00 0.00 N ATOM 258 CA ASP A 16 -1.639 12.276 2.976 1.00 0.00 C ATOM 259 C ASP A 16 -2.276 11.138 3.775 1.00 0.00 C ATOM 260 O ASP A 16 -1.588 10.196 4.173 1.00 0.00 O ATOM 261 CB ASP A 16 -1.118 13.362 3.927 1.00 0.00 C ATOM 262 CG ASP A 16 -2.218 14.265 4.461 1.00 0.00 C ATOM 263 OD1 ASP A 16 -2.602 15.219 3.752 1.00 0.00 O ATOM 264 OD2 ASP A 16 -2.694 14.016 5.588 1.00 0.00 O ATOM 0 H ASP A 16 -2.825 13.813 2.173 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.796 11.873 2.415 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.607 12.888 4.765 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.379 13.970 3.405 1.00 0.00 H new ATOM 269 N HIS A 17 -3.596 11.219 3.987 1.00 0.00 N ATOM 270 CA HIS A 17 -4.326 10.181 4.716 1.00 0.00 C ATOM 271 C HIS A 17 -4.107 8.813 4.062 1.00 0.00 C ATOM 272 O HIS A 17 -4.148 7.780 4.734 1.00 0.00 O ATOM 273 CB HIS A 17 -5.824 10.505 4.762 1.00 0.00 C ATOM 274 CG HIS A 17 -6.174 11.614 5.710 1.00 0.00 C ATOM 275 ND1 HIS A 17 -7.473 11.934 6.048 1.00 0.00 N ATOM 276 CD2 HIS A 17 -5.388 12.480 6.394 1.00 0.00 C ATOM 277 CE1 HIS A 17 -7.470 12.948 6.894 1.00 0.00 C ATOM 278 NE2 HIS A 17 -6.217 13.297 7.120 1.00 0.00 N ATOM 0 H HIS A 17 -4.177 11.992 3.663 1.00 0.00 H new ATOM 0 HA HIS A 17 -3.944 10.149 5.736 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -6.159 10.776 3.761 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.372 9.607 5.049 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.309 12.520 6.372 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.344 13.413 7.327 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.914 14.052 7.735 1.00 0.00 H new ATOM 287 N LEU A 18 -3.853 8.822 2.750 1.00 0.00 N ATOM 288 CA LEU A 18 -3.601 7.598 1.999 1.00 0.00 C ATOM 289 C LEU A 18 -2.121 7.290 1.977 1.00 0.00 C ATOM 290 O LEU A 18 -1.721 6.180 2.266 1.00 0.00 O ATOM 291 CB LEU A 18 -4.065 7.734 0.559 1.00 0.00 C ATOM 292 CG LEU A 18 -5.554 7.943 0.358 1.00 0.00 C ATOM 293 CD1 LEU A 18 -5.947 9.367 0.708 1.00 0.00 C ATOM 294 CD2 LEU A 18 -5.914 7.626 -1.075 1.00 0.00 C ATOM 0 H LEU A 18 -3.817 9.672 2.187 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.153 6.798 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.536 8.572 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.767 6.837 0.016 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.103 7.274 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.019 9.496 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.701 9.567 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.404 10.062 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.984 7.775 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.360 8.285 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.659 6.589 -1.293 1.00 0.00 H new ATOM 306 N SER A 19 -1.321 8.286 1.600 1.00 0.00 N ATOM 307 CA SER A 19 0.133 8.132 1.510 1.00 0.00 C ATOM 308 C SER A 19 0.689 7.260 2.644 1.00 0.00 C ATOM 309 O SER A 19 1.567 6.425 2.415 1.00 0.00 O ATOM 310 CB SER A 19 0.814 9.506 1.508 1.00 0.00 C ATOM 311 OG SER A 19 2.224 9.382 1.583 1.00 0.00 O ATOM 0 H SER A 19 -1.657 9.216 1.350 1.00 0.00 H new ATOM 0 HA SER A 19 0.352 7.623 0.571 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.542 10.048 0.602 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.453 10.094 2.352 1.00 0.00 H new ATOM 0 HG SER A 19 2.631 10.273 1.578 1.00 0.00 H new ATOM 317 N LYS A 20 0.165 7.445 3.855 1.00 0.00 N ATOM 318 CA LYS A 20 0.601 6.658 5.008 1.00 0.00 C ATOM 319 C LYS A 20 -0.103 5.297 5.041 1.00 0.00 C ATOM 320 O LYS A 20 0.473 4.307 5.490 1.00 0.00 O ATOM 321 CB LYS A 20 0.326 7.421 6.307 1.00 0.00 C ATOM 322 CG LYS A 20 1.254 7.035 7.447 1.00 0.00 C ATOM 323 CD LYS A 20 1.228 8.069 8.562 1.00 0.00 C ATOM 324 CE LYS A 20 2.462 7.967 9.446 1.00 0.00 C ATOM 325 NZ LYS A 20 2.332 6.886 10.463 1.00 0.00 N ATOM 0 H LYS A 20 -0.560 8.131 4.063 1.00 0.00 H new ATOM 0 HA LYS A 20 1.674 6.488 4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.422 8.490 6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.705 7.242 6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.960 6.063 7.844 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.271 6.931 7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.169 9.069 8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.333 7.930 9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.338 7.778 8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.628 8.920 9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.194 6.851 11.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.511 7.079 11.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.200 5.973 9.984 1.00 0.00 H new ATOM 339 N HIS A 21 -1.349 5.259 4.555 1.00 0.00 N ATOM 340 CA HIS A 21 -2.135 4.025 4.523 1.00 0.00 C ATOM 341 C HIS A 21 -1.758 3.140 3.326 1.00 0.00 C ATOM 342 O HIS A 21 -1.842 1.925 3.415 1.00 0.00 O ATOM 343 CB HIS A 21 -3.639 4.359 4.502 1.00 0.00 C ATOM 344 CG HIS A 21 -4.502 3.353 3.790 1.00 0.00 C ATOM 345 ND1 HIS A 21 -5.523 2.648 4.389 1.00 0.00 N ATOM 346 CD2 HIS A 21 -4.494 2.962 2.491 1.00 0.00 C ATOM 347 CE1 HIS A 21 -6.093 1.871 3.454 1.00 0.00 C ATOM 348 NE2 HIS A 21 -5.505 2.026 2.281 1.00 0.00 N ATOM 0 H HIS A 21 -1.834 6.073 4.178 1.00 0.00 H new ATOM 0 HA HIS A 21 -1.908 3.459 5.426 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -3.990 4.454 5.530 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -3.774 5.331 4.028 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -5.797 2.706 5.370 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.810 3.321 1.736 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -6.924 1.206 3.637 1.00 0.00 H new ATOM 356 N ILE A 22 -1.363 3.742 2.204 1.00 0.00 N ATOM 357 CA ILE A 22 -1.001 2.967 1.012 1.00 0.00 C ATOM 358 C ILE A 22 0.236 2.114 1.245 1.00 0.00 C ATOM 359 O ILE A 22 0.254 0.943 0.890 1.00 0.00 O ATOM 360 CB ILE A 22 -0.788 3.836 -0.250 1.00 0.00 C ATOM 361 CG1 ILE A 22 -0.150 5.179 0.092 1.00 0.00 C ATOM 362 CG2 ILE A 22 -2.107 4.046 -0.981 1.00 0.00 C ATOM 363 CD1 ILE A 22 1.178 5.408 -0.595 1.00 0.00 C ATOM 0 H ILE A 22 -1.285 4.753 2.093 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.860 2.322 0.829 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.101 3.301 -0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.836 5.979 -0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.007 5.240 1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.939 4.659 -1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.515 3.081 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.813 4.549 -0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.574 6.382 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.880 4.629 -0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.038 5.379 -1.676 1.00 0.00 H new ATOM 375 N THR A 23 1.264 2.699 1.837 1.00 0.00 N ATOM 376 CA THR A 23 2.503 1.970 2.105 1.00 0.00 C ATOM 377 C THR A 23 2.263 0.699 2.937 1.00 0.00 C ATOM 378 O THR A 23 3.074 -0.226 2.902 1.00 0.00 O ATOM 379 CB THR A 23 3.521 2.881 2.799 1.00 0.00 C ATOM 380 OG1 THR A 23 3.711 4.074 2.058 1.00 0.00 O ATOM 381 CG2 THR A 23 4.878 2.236 2.984 1.00 0.00 C ATOM 0 H THR A 23 1.270 3.672 2.142 1.00 0.00 H new ATOM 0 HA THR A 23 2.905 1.653 1.143 1.00 0.00 H new ATOM 0 HB THR A 23 3.099 3.087 3.783 1.00 0.00 H new ATOM 0 HG1 THR A 23 2.996 4.709 2.272 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.549 2.936 3.481 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.774 1.338 3.593 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.289 1.968 2.011 1.00 0.00 H new ATOM 389 N LEU A 24 1.149 0.648 3.666 1.00 0.00 N ATOM 390 CA LEU A 24 0.809 -0.526 4.475 1.00 0.00 C ATOM 391 C LEU A 24 -0.312 -1.325 3.809 1.00 0.00 C ATOM 392 O LEU A 24 -0.284 -2.556 3.799 1.00 0.00 O ATOM 393 CB LEU A 24 0.374 -0.110 5.880 1.00 0.00 C ATOM 394 CG LEU A 24 -0.759 0.906 5.898 1.00 0.00 C ATOM 395 CD1 LEU A 24 -2.109 0.226 6.073 1.00 0.00 C ATOM 396 CD2 LEU A 24 -0.536 1.951 6.979 1.00 0.00 C ATOM 0 H LEU A 24 0.466 1.404 3.714 1.00 0.00 H new ATOM 0 HA LEU A 24 1.699 -1.150 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.062 -0.997 6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.232 0.307 6.407 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.764 1.412 4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.897 0.979 6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.277 -0.466 5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.121 -0.323 7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.360 2.665 6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.489 1.463 7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.401 2.476 6.790 1.00 0.00 H new ATOM 408 N HIS A 25 -1.299 -0.610 3.261 1.00 0.00 N ATOM 409 CA HIS A 25 -2.434 -1.239 2.599 1.00 0.00 C ATOM 410 C HIS A 25 -2.018 -1.855 1.267 1.00 0.00 C ATOM 411 O HIS A 25 -2.538 -2.904 0.882 1.00 0.00 O ATOM 412 CB HIS A 25 -3.594 -0.233 2.421 1.00 0.00 C ATOM 413 CG HIS A 25 -4.028 -0.014 1.003 1.00 0.00 C ATOM 414 ND1 HIS A 25 -3.846 1.058 0.187 1.00 0.00 N flip ATOM 415 CD2 HIS A 25 -4.757 -0.926 0.277 1.00 0.00 C flip ATOM 416 CE1 HIS A 25 -4.457 0.807 -1.031 1.00 0.00 C flip ATOM 417 NE2 HIS A 25 -4.992 -0.395 -0.927 1.00 0.00 N flip ATOM 0 H HIS A 25 -1.330 0.410 3.266 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.793 -2.048 3.235 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -4.450 -0.583 2.998 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -3.293 0.725 2.846 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.082 -1.898 0.618 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.489 1.461 -1.890 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -5.517 -0.859 -1.669 1.00 0.00 H new ATOM 425 N GLU A 26 -1.059 -1.230 0.580 1.00 0.00 N ATOM 426 CA GLU A 26 -0.576 -1.771 -0.682 1.00 0.00 C ATOM 427 C GLU A 26 0.385 -2.933 -0.413 1.00 0.00 C ATOM 428 O GLU A 26 0.722 -3.690 -1.326 1.00 0.00 O ATOM 429 CB GLU A 26 0.090 -0.679 -1.534 1.00 0.00 C ATOM 430 CG GLU A 26 1.576 -0.488 -1.267 1.00 0.00 C ATOM 431 CD GLU A 26 2.140 0.740 -1.954 1.00 0.00 C ATOM 432 OE1 GLU A 26 2.569 0.622 -3.120 1.00 0.00 O ATOM 433 OE2 GLU A 26 2.154 1.820 -1.324 1.00 0.00 O ATOM 0 H GLU A 26 -0.610 -0.362 0.874 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.426 -2.148 -1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.048 -0.923 -2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.423 0.266 -1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.740 -0.406 -0.193 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.118 -1.371 -1.606 1.00 0.00 H new ATOM 440 N LEU A 27 0.816 -3.077 0.853 1.00 0.00 N ATOM 441 CA LEU A 27 1.726 -4.158 1.233 1.00 0.00 C ATOM 442 C LEU A 27 0.953 -5.334 1.831 1.00 0.00 C ATOM 443 O LEU A 27 0.910 -6.417 1.247 1.00 0.00 O ATOM 444 CB LEU A 27 2.771 -3.654 2.234 1.00 0.00 C ATOM 445 CG LEU A 27 3.941 -2.883 1.619 1.00 0.00 C ATOM 446 CD1 LEU A 27 4.865 -3.825 0.860 1.00 0.00 C ATOM 447 CD2 LEU A 27 3.431 -1.778 0.707 1.00 0.00 C ATOM 0 H LEU A 27 0.548 -2.461 1.620 1.00 0.00 H new ATOM 0 HA LEU A 27 2.237 -4.500 0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.275 -3.011 2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.168 -4.508 2.783 1.00 0.00 H new ATOM 0 HG LEU A 27 4.512 -2.424 2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.690 -3.257 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.259 -4.577 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.308 -4.316 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.277 -1.240 0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.835 -2.214 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.815 -1.087 1.282 1.00 0.00 H new ATOM 458 N LEU A 28 0.345 -5.109 2.997 1.00 0.00 N ATOM 459 CA LEU A 28 -0.427 -6.145 3.678 1.00 0.00 C ATOM 460 C LEU A 28 -1.927 -5.889 3.541 1.00 0.00 C ATOM 461 O LEU A 28 -2.370 -4.740 3.498 1.00 0.00 O ATOM 462 CB LEU A 28 -0.044 -6.205 5.160 1.00 0.00 C ATOM 463 CG LEU A 28 1.379 -6.695 5.444 1.00 0.00 C ATOM 464 CD1 LEU A 28 2.323 -5.517 5.638 1.00 0.00 C ATOM 465 CD2 LEU A 28 1.396 -7.601 6.668 1.00 0.00 C ATOM 0 H LEU A 28 0.374 -4.216 3.489 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.195 -7.101 3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.162 -5.210 5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.747 -6.860 5.675 1.00 0.00 H new ATOM 0 HG LEU A 28 1.722 -7.270 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.329 -5.886 5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.334 -4.907 4.735 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.983 -4.913 6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.415 -7.940 6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.032 -7.049 7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.753 -8.463 6.491 1.00 0.00 H new ATOM 477 N GLY A 29 -2.702 -6.972 3.479 1.00 0.00 N ATOM 478 CA GLY A 29 -4.146 -6.853 3.355 1.00 0.00 C ATOM 479 C GLY A 29 -4.817 -6.589 4.689 1.00 0.00 C ATOM 480 O GLY A 29 -4.513 -7.253 5.683 1.00 0.00 O ATOM 0 H GLY A 29 -2.354 -7.930 3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.384 -6.044 2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.548 -7.769 2.923 1.00 0.00 H new ATOM 484 N GLU A 30 -5.726 -5.614 4.715 1.00 0.00 N ATOM 485 CA GLU A 30 -6.440 -5.261 5.940 1.00 0.00 C ATOM 486 C GLU A 30 -7.926 -5.595 5.820 1.00 0.00 C ATOM 487 O GLU A 30 -8.741 -4.739 5.466 1.00 0.00 O ATOM 488 CB GLU A 30 -6.252 -3.773 6.252 1.00 0.00 C ATOM 489 CG GLU A 30 -5.006 -3.475 7.071 1.00 0.00 C ATOM 490 CD GLU A 30 -3.728 -3.584 6.257 1.00 0.00 C ATOM 491 OE1 GLU A 30 -3.457 -2.669 5.450 1.00 0.00 O ATOM 492 OE2 GLU A 30 -3.000 -4.586 6.426 1.00 0.00 O ATOM 0 H GLU A 30 -5.984 -5.055 3.902 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.025 -5.848 6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.202 -3.218 5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.127 -3.410 6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.082 -2.471 7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.956 -4.166 7.913 1.00 0.00 H new ATOM 499 N GLU A 31 -8.270 -6.849 6.117 1.00 0.00 N ATOM 500 CA GLU A 31 -9.657 -7.305 6.046 1.00 0.00 C ATOM 501 C GLU A 31 -10.257 -7.455 7.444 1.00 0.00 C ATOM 502 O GLU A 31 -9.792 -8.267 8.247 1.00 0.00 O ATOM 503 CB GLU A 31 -9.753 -8.633 5.282 1.00 0.00 C ATOM 504 CG GLU A 31 -8.791 -9.707 5.773 1.00 0.00 C ATOM 505 CD GLU A 31 -7.596 -9.886 4.855 1.00 0.00 C ATOM 506 OE1 GLU A 31 -7.730 -10.594 3.835 1.00 0.00 O ATOM 507 OE2 GLU A 31 -6.526 -9.316 5.155 1.00 0.00 O ATOM 0 H GLU A 31 -7.606 -7.566 6.409 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.229 -6.550 5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.772 -9.011 5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.562 -8.446 4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.441 -9.446 6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.323 -10.654 5.859 1.00 0.00 H new ATOM 514 N ARG A 32 -11.293 -6.665 7.726 1.00 0.00 N ATOM 515 CA ARG A 32 -11.963 -6.705 9.023 1.00 0.00 C ATOM 516 C ARG A 32 -13.311 -7.417 8.921 1.00 0.00 C ATOM 517 O ARG A 32 -14.063 -7.201 7.968 1.00 0.00 O ATOM 518 CB ARG A 32 -12.160 -5.286 9.565 1.00 0.00 C ATOM 519 CG ARG A 32 -11.046 -4.827 10.493 1.00 0.00 C ATOM 520 CD ARG A 32 -11.160 -5.471 11.866 1.00 0.00 C ATOM 521 NE ARG A 32 -10.002 -5.176 12.709 1.00 0.00 N ATOM 522 CZ ARG A 32 -9.849 -4.045 13.406 1.00 0.00 C ATOM 523 NH1 ARG A 32 -10.777 -3.092 13.364 1.00 0.00 N ATOM 524 NH2 ARG A 32 -8.760 -3.867 14.147 1.00 0.00 N ATOM 0 H ARG A 32 -11.686 -5.989 7.071 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.330 -7.264 9.712 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.232 -4.593 8.727 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.109 -5.239 10.099 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.080 -5.075 10.053 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.081 -3.742 10.595 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.066 -5.117 12.358 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.260 -6.550 11.753 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.264 -5.878 12.769 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.615 -3.221 12.796 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.651 -2.233 13.899 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.044 -4.592 14.183 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.641 -3.005 14.680 1.00 0.00 H new ATOM 538 N ARG A 33 -13.604 -8.265 9.913 1.00 0.00 N ATOM 539 CA ARG A 33 -14.858 -9.023 9.959 1.00 0.00 C ATOM 540 C ARG A 33 -14.878 -10.131 8.900 1.00 0.00 C ATOM 541 O ARG A 33 -14.987 -9.810 7.697 1.00 0.00 O ATOM 542 CB ARG A 33 -16.068 -8.093 9.783 1.00 0.00 C ATOM 543 CG ARG A 33 -16.998 -8.068 10.986 1.00 0.00 C ATOM 544 CD ARG A 33 -16.508 -7.099 12.053 1.00 0.00 C ATOM 545 NE ARG A 33 -17.613 -6.416 12.725 1.00 0.00 N ATOM 546 CZ ARG A 33 -18.318 -6.939 13.733 1.00 0.00 C ATOM 547 NH1 ARG A 33 -18.045 -8.160 14.189 1.00 0.00 N ATOM 548 NH2 ARG A 33 -19.304 -6.240 14.286 1.00 0.00 N ATOM 0 H ARG A 33 -12.983 -8.444 10.702 1.00 0.00 H new ATOM 0 HA ARG A 33 -14.922 -9.492 10.941 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.712 -7.081 9.588 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.632 -8.407 8.905 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.000 -7.782 10.666 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -17.073 -9.069 11.410 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.916 -7.641 12.790 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.850 -6.360 11.596 1.00 0.00 H new ATOM 0 HE ARG A 33 -17.862 -5.480 12.404 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -17.292 -8.705 13.769 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -18.589 -8.550 14.959 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -19.522 -5.305 13.941 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -19.842 -6.638 15.055 1.00 0.00 H new TER 562 ARG A 33