USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 406 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 44 ASN : amide:sc= 0.689 K(o=1.5,f=-3.5) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 179:sc= 0.806 (180deg=0) USER MOD Set 2.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 45 SER OG : rot 180:sc= 0.00293 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.122 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 83:sc= 0.217 USER MOD Single : A 7 GLN : amide:sc= -0.0816 K(o=-0.082,f=-3.3!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 9:sc= 1.25 USER MOD Single : A 16 ASN : amide:sc= 0.503 K(o=0.5,f=-6.4!) USER MOD Single : A 21 SER OG : rot -128:sc= 0.689 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 50 THR OG1 : rot 83:sc= 0.352 USER MOD Single : A 52 ASN : amide:sc= -0.023 K(o=-0.023,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.984 -5.891 -13.537 1.00 25.00 N ATOM 2 CA GLY A 1 3.941 -4.874 -13.267 1.00 25.00 C ATOM 3 C GLY A 1 4.528 -3.601 -12.711 1.00 25.00 C ATOM 4 O GLY A 1 5.741 -3.464 -12.669 1.00 25.00 O ATOM 0 H1 GLY A 1 4.920 -6.200 -14.528 1.00 25.00 H new ATOM 0 H2 GLY A 1 5.923 -5.480 -13.363 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.842 -6.708 -12.910 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.402 -4.653 -14.188 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.215 -5.277 -12.562 1.00 25.00 H new ATOM 10 N SER A 2 3.683 -2.673 -12.294 1.00 25.00 N ATOM 11 CA SER A 2 4.110 -1.400 -11.732 1.00 25.00 C ATOM 12 C SER A 2 2.962 -0.961 -10.815 1.00 25.00 C ATOM 13 O SER A 2 1.868 -1.522 -10.911 1.00 25.00 O ATOM 14 CB SER A 2 4.318 -0.395 -12.868 1.00 25.00 C ATOM 15 OG SER A 2 3.110 -0.204 -13.581 1.00 25.00 O ATOM 0 H SER A 2 2.670 -2.782 -12.336 1.00 25.00 H new ATOM 0 HA SER A 2 5.049 -1.471 -11.183 1.00 25.00 H new ATOM 0 HB2 SER A 2 4.664 0.556 -12.463 1.00 25.00 H new ATOM 0 HB3 SER A 2 5.094 -0.755 -13.543 1.00 25.00 H new ATOM 0 HG SER A 2 3.255 0.442 -14.304 1.00 25.00 H new ATOM 21 N PRO A 3 3.204 -0.007 -9.895 1.00 25.00 N ATOM 22 CA PRO A 3 2.097 0.333 -8.989 1.00 25.00 C ATOM 23 C PRO A 3 0.918 1.048 -9.683 1.00 25.00 C ATOM 24 O PRO A 3 1.102 1.841 -10.608 1.00 25.00 O ATOM 25 CB PRO A 3 2.775 1.248 -7.960 1.00 25.00 C ATOM 26 CG PRO A 3 3.867 1.869 -8.706 1.00 25.00 C ATOM 27 CD PRO A 3 4.414 0.768 -9.560 1.00 25.00 C ATOM 0 HA PRO A 3 1.634 -0.557 -8.564 1.00 25.00 H new ATOM 0 HB2 PRO A 3 2.082 1.994 -7.571 1.00 25.00 H new ATOM 0 HB3 PRO A 3 3.146 0.682 -7.106 1.00 25.00 H new ATOM 0 HG2 PRO A 3 3.510 2.701 -9.313 1.00 25.00 H new ATOM 0 HG3 PRO A 3 4.629 2.267 -8.036 1.00 25.00 H new ATOM 0 HD2 PRO A 3 4.909 1.153 -10.451 1.00 25.00 H new ATOM 0 HD3 PRO A 3 5.147 0.165 -9.024 1.00 25.00 H new ATOM 35 N THR A 4 -0.280 0.766 -9.184 1.00 25.00 N ATOM 36 CA THR A 4 -1.532 1.236 -9.774 1.00 25.00 C ATOM 37 C THR A 4 -1.712 2.744 -9.865 1.00 25.00 C ATOM 38 O THR A 4 -2.378 3.243 -10.760 1.00 25.00 O ATOM 39 CB THR A 4 -2.699 0.688 -8.944 1.00 25.00 C ATOM 40 OG1 THR A 4 -2.156 -0.187 -7.943 1.00 25.00 O ATOM 41 CG2 THR A 4 -3.676 -0.083 -9.807 1.00 25.00 C ATOM 0 H THR A 4 -0.413 0.197 -8.348 1.00 25.00 H new ATOM 0 HA THR A 4 -1.505 0.874 -10.802 1.00 25.00 H new ATOM 0 HB THR A 4 -3.239 1.520 -8.491 1.00 25.00 H new ATOM 0 HG1 THR A 4 -1.849 0.342 -7.177 1.00 25.00 H new ATOM 0 HG21 THR A 4 -4.491 -0.458 -9.188 1.00 25.00 H new ATOM 0 HG22 THR A 4 -4.078 0.575 -10.577 1.00 25.00 H new ATOM 0 HG23 THR A 4 -3.163 -0.922 -10.278 1.00 25.00 H new ATOM 49 N PHE A 5 -1.103 3.473 -8.936 1.00 25.00 N ATOM 50 CA PHE A 5 -1.217 4.923 -8.884 1.00 25.00 C ATOM 51 C PHE A 5 -0.704 5.605 -10.158 1.00 25.00 C ATOM 52 O PHE A 5 -1.228 6.637 -10.569 1.00 25.00 O ATOM 53 CB PHE A 5 -0.410 5.397 -7.683 1.00 25.00 C ATOM 54 CG PHE A 5 -0.576 6.853 -7.351 1.00 25.00 C ATOM 55 CD1 PHE A 5 0.335 7.808 -7.845 1.00 25.00 C ATOM 56 CD2 PHE A 5 -1.603 7.269 -6.491 1.00 25.00 C ATOM 57 CE1 PHE A 5 0.233 9.170 -7.458 1.00 25.00 C ATOM 58 CE2 PHE A 5 -1.735 8.630 -6.129 1.00 25.00 C ATOM 59 CZ PHE A 5 -0.807 9.580 -6.621 1.00 25.00 C ATOM 0 H PHE A 5 -0.519 3.075 -8.201 1.00 25.00 H new ATOM 0 HA PHE A 5 -2.270 5.191 -8.797 1.00 25.00 H new ATOM 0 HB2 PHE A 5 -0.696 4.805 -6.814 1.00 25.00 H new ATOM 0 HB3 PHE A 5 0.645 5.199 -7.870 1.00 25.00 H new ATOM 0 HD1 PHE A 5 1.117 7.501 -8.524 1.00 25.00 H new ATOM 0 HD2 PHE A 5 -2.300 6.542 -6.101 1.00 25.00 H new ATOM 0 HE1 PHE A 5 0.959 9.888 -7.810 1.00 25.00 H new ATOM 0 HE2 PHE A 5 -2.540 8.943 -5.480 1.00 25.00 H new ATOM 0 HZ PHE A 5 -0.904 10.621 -6.349 1.00 25.00 H new ATOM 69 N CYS A 6 0.321 5.021 -10.773 1.00 25.00 N ATOM 70 CA CYS A 6 0.894 5.588 -12.001 1.00 25.00 C ATOM 71 C CYS A 6 0.568 4.709 -13.221 1.00 25.00 C ATOM 72 O CYS A 6 1.079 4.930 -14.322 1.00 25.00 O ATOM 73 CB CYS A 6 2.407 5.722 -11.861 1.00 25.00 C ATOM 74 SG CYS A 6 2.941 7.044 -10.742 1.00 25.00 S ATOM 0 H CYS A 6 0.771 4.165 -10.450 1.00 25.00 H new ATOM 0 HA CYS A 6 0.452 6.573 -12.154 1.00 25.00 H new ATOM 0 HB2 CYS A 6 2.812 4.775 -11.504 1.00 25.00 H new ATOM 0 HB3 CYS A 6 2.836 5.901 -12.847 1.00 25.00 H new ATOM 79 N GLN A 7 -0.281 3.707 -13.046 1.00 25.00 N ATOM 80 CA GLN A 7 -0.640 2.851 -14.158 1.00 25.00 C ATOM 81 C GLN A 7 -1.665 3.580 -15.028 1.00 25.00 C ATOM 82 O GLN A 7 -2.690 4.065 -14.542 1.00 25.00 O ATOM 83 CB GLN A 7 -1.214 1.544 -13.653 1.00 25.00 C ATOM 84 CG GLN A 7 -0.193 0.427 -13.573 1.00 25.00 C ATOM 85 CD GLN A 7 -0.829 -0.924 -13.286 1.00 25.00 C ATOM 86 OE1 GLN A 7 -1.364 -1.156 -12.216 1.00 25.00 O ATOM 87 NE2 GLN A 7 -0.789 -1.813 -14.252 1.00 25.00 N ATOM 0 H GLN A 7 -0.726 3.472 -12.159 1.00 25.00 H new ATOM 0 HA GLN A 7 0.248 2.624 -14.748 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -1.645 1.703 -12.665 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -2.028 1.236 -14.310 1.00 25.00 H new ATOM 0 HG2 GLN A 7 0.357 0.374 -14.513 1.00 25.00 H new ATOM 0 HG3 GLN A 7 0.532 0.657 -12.792 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -0.333 -1.586 -15.136 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.214 -2.731 -14.119 1.00 25.00 H new ATOM 96 N GLY A 8 -1.371 3.672 -16.323 1.00 25.00 N ATOM 97 CA GLY A 8 -2.267 4.362 -17.234 1.00 25.00 C ATOM 98 C GLY A 8 -2.211 5.864 -17.044 1.00 25.00 C ATOM 99 O GLY A 8 -3.133 6.574 -17.447 1.00 25.00 O ATOM 0 H GLY A 8 -0.533 3.283 -16.755 1.00 25.00 H new ATOM 0 HA2 GLY A 8 -2.002 4.115 -18.262 1.00 25.00 H new ATOM 0 HA3 GLY A 8 -3.287 4.013 -17.075 1.00 25.00 H new ATOM 103 N LYS A 9 -1.122 6.352 -16.455 1.00 25.00 N ATOM 104 CA LYS A 9 -0.915 7.781 -16.237 1.00 25.00 C ATOM 105 C LYS A 9 0.320 8.197 -16.994 1.00 25.00 C ATOM 106 O LYS A 9 1.241 7.415 -17.145 1.00 25.00 O ATOM 107 CB LYS A 9 -0.779 8.086 -14.756 1.00 25.00 C ATOM 108 CG LYS A 9 -2.040 7.832 -13.993 1.00 25.00 C ATOM 109 CD LYS A 9 -3.251 8.638 -14.481 1.00 25.00 C ATOM 110 CE LYS A 9 -4.470 8.380 -13.609 1.00 25.00 C ATOM 111 NZ LYS A 9 -5.674 9.063 -14.216 1.00 25.00 N ATOM 0 H LYS A 9 -0.358 5.768 -16.115 1.00 25.00 H new ATOM 0 HA LYS A 9 -1.775 8.343 -16.600 1.00 25.00 H new ATOM 0 HB2 LYS A 9 0.023 7.478 -14.337 1.00 25.00 H new ATOM 0 HB3 LYS A 9 -0.487 9.129 -14.630 1.00 25.00 H new ATOM 0 HG2 LYS A 9 -2.278 6.770 -14.052 1.00 25.00 H new ATOM 0 HG3 LYS A 9 -1.866 8.061 -12.942 1.00 25.00 H new ATOM 0 HD2 LYS A 9 -3.012 9.701 -14.471 1.00 25.00 H new ATOM 0 HD3 LYS A 9 -3.476 8.372 -15.514 1.00 25.00 H new ATOM 0 HE2 LYS A 9 -4.650 7.308 -13.524 1.00 25.00 H new ATOM 0 HE3 LYS A 9 -4.295 8.755 -12.600 1.00 25.00 H new ATOM 0 HZ1 LYS A 9 -6.509 8.888 -13.621 1.00 25.00 H new ATOM 0 HZ2 LYS A 9 -5.499 10.087 -14.275 1.00 25.00 H new ATOM 0 HZ3 LYS A 9 -5.843 8.685 -15.170 1.00 25.00 H new ATOM 125 N ALA A 10 0.326 9.417 -17.492 1.00 25.00 N ATOM 126 CA ALA A 10 1.482 9.951 -18.187 1.00 25.00 C ATOM 127 C ALA A 10 2.574 10.158 -17.142 1.00 25.00 C ATOM 128 O ALA A 10 2.277 10.454 -15.983 1.00 25.00 O ATOM 129 CB ALA A 10 1.122 11.270 -18.867 1.00 25.00 C ATOM 0 H ALA A 10 -0.462 10.062 -17.428 1.00 25.00 H new ATOM 0 HA ALA A 10 1.825 9.268 -18.964 1.00 25.00 H new ATOM 0 HB1 ALA A 10 1.997 11.662 -19.386 1.00 25.00 H new ATOM 0 HB2 ALA A 10 0.319 11.102 -19.585 1.00 25.00 H new ATOM 0 HB3 ALA A 10 0.793 11.988 -18.116 1.00 25.00 H new ATOM 135 N ASP A 11 3.817 10.057 -17.576 1.00 25.00 N ATOM 136 CA ASP A 11 4.943 10.354 -16.708 1.00 25.00 C ATOM 137 C ASP A 11 4.968 11.866 -16.513 1.00 25.00 C ATOM 138 O ASP A 11 4.518 12.620 -17.379 1.00 25.00 O ATOM 139 CB ASP A 11 6.254 9.868 -17.332 1.00 25.00 C ATOM 140 CG ASP A 11 6.417 8.349 -17.235 1.00 25.00 C ATOM 141 OD1 ASP A 11 7.320 7.811 -17.918 1.00 25.00 O ATOM 142 OD2 ASP A 11 5.705 7.694 -16.429 1.00 25.00 O ATOM 0 H ASP A 11 4.073 9.772 -18.522 1.00 25.00 H new ATOM 0 HA ASP A 11 4.837 9.842 -15.752 1.00 25.00 H new ATOM 0 HB2 ASP A 11 6.288 10.168 -18.379 1.00 25.00 H new ATOM 0 HB3 ASP A 11 7.093 10.354 -16.833 1.00 25.00 H new ATOM 147 N GLY A 12 5.421 12.301 -15.357 1.00 25.00 N ATOM 148 CA GLY A 12 5.390 13.711 -15.010 1.00 25.00 C ATOM 149 C GLY A 12 5.038 13.857 -13.552 1.00 25.00 C ATOM 150 O GLY A 12 5.063 12.876 -12.814 1.00 25.00 O ATOM 0 H GLY A 12 5.817 11.698 -14.636 1.00 25.00 H new ATOM 0 HA2 GLY A 12 6.359 14.168 -15.210 1.00 25.00 H new ATOM 0 HA3 GLY A 12 4.658 14.233 -15.627 1.00 25.00 H new ATOM 154 N LEU A 13 4.733 15.067 -13.123 1.00 25.00 N ATOM 155 CA LEU A 13 4.421 15.335 -11.724 1.00 25.00 C ATOM 156 C LEU A 13 2.923 15.563 -11.535 1.00 25.00 C ATOM 157 O LEU A 13 2.255 16.120 -12.404 1.00 25.00 O ATOM 158 CB LEU A 13 5.178 16.563 -11.231 1.00 25.00 C ATOM 159 CG LEU A 13 6.706 16.619 -11.387 1.00 25.00 C ATOM 160 CD1 LEU A 13 7.229 17.880 -10.689 1.00 25.00 C ATOM 161 CD2 LEU A 13 7.379 15.414 -10.778 1.00 25.00 C ATOM 0 H LEU A 13 4.693 15.889 -13.726 1.00 25.00 H new ATOM 0 HA LEU A 13 4.727 14.464 -11.145 1.00 25.00 H new ATOM 0 HB2 LEU A 13 4.764 17.431 -11.745 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.953 16.683 -10.171 1.00 25.00 H new ATOM 0 HG LEU A 13 6.936 16.633 -12.452 1.00 25.00 H new ATOM 0 HD11 LEU A 13 8.313 17.930 -10.793 1.00 25.00 H new ATOM 0 HD12 LEU A 13 6.779 18.762 -11.145 1.00 25.00 H new ATOM 0 HD13 LEU A 13 6.967 17.846 -9.631 1.00 25.00 H new ATOM 0 HD21 LEU A 13 8.458 15.494 -10.911 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.147 15.366 -9.714 1.00 25.00 H new ATOM 0 HD23 LEU A 13 7.019 14.510 -11.269 1.00 25.00 H new ATOM 173 N TYR A 14 2.413 15.160 -10.385 1.00 25.00 N ATOM 174 CA TYR A 14 0.996 15.298 -10.068 1.00 25.00 C ATOM 175 C TYR A 14 0.834 15.964 -8.699 1.00 25.00 C ATOM 176 O TYR A 14 1.701 15.816 -7.830 1.00 25.00 O ATOM 177 CB TYR A 14 0.330 13.916 -10.062 1.00 25.00 C ATOM 178 CG TYR A 14 0.211 13.288 -11.420 1.00 25.00 C ATOM 179 CD1 TYR A 14 1.271 12.530 -11.946 1.00 25.00 C ATOM 180 CD2 TYR A 14 -0.950 13.436 -12.204 1.00 25.00 C ATOM 181 CE1 TYR A 14 1.188 11.943 -13.229 1.00 25.00 C ATOM 182 CE2 TYR A 14 -1.047 12.843 -13.499 1.00 25.00 C ATOM 183 CZ TYR A 14 0.028 12.111 -13.995 1.00 25.00 C ATOM 184 OH TYR A 14 -0.063 11.563 -15.250 1.00 25.00 O ATOM 0 H TYR A 14 2.965 14.728 -9.644 1.00 25.00 H new ATOM 0 HA TYR A 14 0.517 15.920 -10.824 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.902 13.251 -9.415 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -0.665 14.006 -9.626 1.00 25.00 H new ATOM 0 HD1 TYR A 14 2.167 12.393 -11.358 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -1.781 14.008 -11.819 1.00 25.00 H new ATOM 0 HE1 TYR A 14 2.016 11.367 -13.617 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -1.945 12.961 -14.088 1.00 25.00 H new ATOM 0 HH TYR A 14 0.700 10.967 -15.403 1.00 25.00 H new ATOM 194 N PRO A 15 -0.269 16.700 -8.485 1.00 25.00 N ATOM 195 CA PRO A 15 -0.401 17.373 -7.186 1.00 25.00 C ATOM 196 C PRO A 15 -0.691 16.434 -6.023 1.00 25.00 C ATOM 197 O PRO A 15 -1.482 15.501 -6.132 1.00 25.00 O ATOM 198 CB PRO A 15 -1.591 18.325 -7.411 1.00 25.00 C ATOM 199 CG PRO A 15 -2.413 17.634 -8.443 1.00 25.00 C ATOM 200 CD PRO A 15 -1.414 17.000 -9.372 1.00 25.00 C ATOM 0 HA PRO A 15 0.531 17.861 -6.901 1.00 25.00 H new ATOM 0 HB2 PRO A 15 -2.155 18.484 -6.492 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -1.259 19.305 -7.755 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -3.065 16.885 -7.993 1.00 25.00 H new ATOM 0 HG3 PRO A 15 -3.055 18.338 -8.973 1.00 25.00 H new ATOM 0 HD2 PRO A 15 -1.812 16.097 -9.835 1.00 25.00 H new ATOM 0 HD3 PRO A 15 -1.131 17.675 -10.180 1.00 25.00 H new ATOM 208 N ASN A 16 -0.083 16.733 -4.888 1.00 25.00 N ATOM 209 CA ASN A 16 -0.375 16.032 -3.637 1.00 25.00 C ATOM 210 C ASN A 16 -1.483 16.876 -2.976 1.00 25.00 C ATOM 211 O ASN A 16 -1.394 18.091 -2.964 1.00 25.00 O ATOM 212 CB ASN A 16 0.890 15.984 -2.776 1.00 25.00 C ATOM 213 CG ASN A 16 0.691 15.198 -1.509 1.00 25.00 C ATOM 214 OD1 ASN A 16 -0.157 15.518 -0.694 1.00 25.00 O ATOM 215 ND2 ASN A 16 1.458 14.159 -1.345 1.00 25.00 N ATOM 0 H ASN A 16 0.624 17.463 -4.801 1.00 25.00 H new ATOM 0 HA ASN A 16 -0.694 14.999 -3.778 1.00 25.00 H new ATOM 0 HB2 ASN A 16 1.702 15.540 -3.352 1.00 25.00 H new ATOM 0 HB3 ASN A 16 1.195 17.000 -2.526 1.00 25.00 H new ATOM 0 HD21 ASN A 16 1.361 13.580 -0.511 1.00 25.00 H new ATOM 0 HD22 ASN A 16 2.156 13.924 -2.050 1.00 25.00 H new ATOM 222 N PRO A 17 -2.562 16.250 -2.475 1.00 25.00 N ATOM 223 CA PRO A 17 -3.651 17.085 -1.953 1.00 25.00 C ATOM 224 C PRO A 17 -3.365 17.769 -0.607 1.00 25.00 C ATOM 225 O PRO A 17 -4.071 18.693 -0.220 1.00 25.00 O ATOM 226 CB PRO A 17 -4.777 16.075 -1.772 1.00 25.00 C ATOM 227 CG PRO A 17 -4.076 14.811 -1.459 1.00 25.00 C ATOM 228 CD PRO A 17 -2.900 14.822 -2.390 1.00 25.00 C ATOM 0 HA PRO A 17 -3.851 17.917 -2.629 1.00 25.00 H new ATOM 0 HB2 PRO A 17 -5.451 16.368 -0.967 1.00 25.00 H new ATOM 0 HB3 PRO A 17 -5.381 15.984 -2.675 1.00 25.00 H new ATOM 0 HG2 PRO A 17 -3.762 14.774 -0.416 1.00 25.00 H new ATOM 0 HG3 PRO A 17 -4.715 13.945 -1.630 1.00 25.00 H new ATOM 0 HD2 PRO A 17 -2.070 14.233 -2.000 1.00 25.00 H new ATOM 0 HD3 PRO A 17 -3.153 14.408 -3.366 1.00 25.00 H new ATOM 236 N ARG A 18 -2.381 17.257 0.121 1.00 25.00 N ATOM 237 CA ARG A 18 -2.035 17.775 1.450 1.00 25.00 C ATOM 238 C ARG A 18 -0.859 18.740 1.389 1.00 25.00 C ATOM 239 O ARG A 18 -0.766 19.679 2.168 1.00 25.00 O ATOM 240 CB ARG A 18 -1.658 16.602 2.366 1.00 25.00 C ATOM 241 CG ARG A 18 -1.596 16.964 3.853 1.00 25.00 C ATOM 242 CD ARG A 18 -0.883 15.875 4.617 1.00 25.00 C ATOM 243 NE ARG A 18 -0.905 16.134 6.064 1.00 25.00 N ATOM 244 CZ ARG A 18 -0.240 15.437 6.976 1.00 25.00 C ATOM 245 NH1 ARG A 18 -0.345 15.756 8.240 1.00 25.00 N ATOM 246 NH2 ARG A 18 0.532 14.429 6.648 1.00 25.00 N ATOM 0 H ARG A 18 -1.800 16.476 -0.185 1.00 25.00 H new ATOM 0 HA ARG A 18 -2.902 18.310 1.837 1.00 25.00 H new ATOM 0 HB2 ARG A 18 -2.383 15.800 2.228 1.00 25.00 H new ATOM 0 HB3 ARG A 18 -0.688 16.211 2.058 1.00 25.00 H new ATOM 0 HG2 ARG A 18 -1.076 17.913 3.984 1.00 25.00 H new ATOM 0 HG3 ARG A 18 -2.604 17.096 4.246 1.00 25.00 H new ATOM 0 HD2 ARG A 18 -1.355 14.914 4.410 1.00 25.00 H new ATOM 0 HD3 ARG A 18 0.149 15.803 4.274 1.00 25.00 H new ATOM 0 HE ARG A 18 -1.477 16.912 6.393 1.00 25.00 H new ATOM 0 HH11 ARG A 18 -0.936 16.538 8.521 1.00 25.00 H new ATOM 0 HH12 ARG A 18 0.165 15.223 8.945 1.00 25.00 H new ATOM 0 HH21 ARG A 18 0.634 14.162 5.669 1.00 25.00 H new ATOM 0 HH22 ARG A 18 1.031 13.912 7.372 1.00 25.00 H new ATOM 260 N GLU A 19 0.077 18.452 0.506 1.00 25.00 N ATOM 261 CA GLU A 19 1.337 19.199 0.453 1.00 25.00 C ATOM 262 C GLU A 19 1.277 20.423 -0.454 1.00 25.00 C ATOM 263 O GLU A 19 0.447 20.507 -1.341 1.00 25.00 O ATOM 264 CB GLU A 19 2.450 18.283 -0.036 1.00 25.00 C ATOM 265 CG GLU A 19 2.681 17.066 0.855 1.00 25.00 C ATOM 266 CD GLU A 19 3.107 17.460 2.245 1.00 25.00 C ATOM 267 OE1 GLU A 19 2.581 16.875 3.230 1.00 25.00 O ATOM 268 OE2 GLU A 19 3.973 18.348 2.362 1.00 25.00 O ATOM 0 H GLU A 19 -0.003 17.708 -0.188 1.00 25.00 H new ATOM 0 HA GLU A 19 1.530 19.554 1.465 1.00 25.00 H new ATOM 0 HB2 GLU A 19 2.212 17.944 -1.044 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.376 18.855 -0.102 1.00 25.00 H new ATOM 0 HG2 GLU A 19 1.766 16.477 0.909 1.00 25.00 H new ATOM 0 HG3 GLU A 19 3.444 16.429 0.408 1.00 25.00 H new ATOM 275 N ARG A 20 2.188 21.367 -0.228 1.00 25.00 N ATOM 276 CA ARG A 20 2.284 22.602 -1.041 1.00 25.00 C ATOM 277 C ARG A 20 3.401 22.531 -2.083 1.00 25.00 C ATOM 278 O ARG A 20 3.228 22.966 -3.228 1.00 25.00 O ATOM 279 CB ARG A 20 2.502 23.806 -0.100 1.00 25.00 C ATOM 280 CG ARG A 20 3.007 25.113 -0.733 1.00 25.00 C ATOM 281 CD ARG A 20 2.006 25.742 -1.697 1.00 25.00 C ATOM 282 NE ARG A 20 2.444 27.095 -2.076 1.00 25.00 N ATOM 283 CZ ARG A 20 2.031 27.769 -3.142 1.00 25.00 C ATOM 284 NH1 ARG A 20 1.174 27.270 -4.003 1.00 25.00 N ATOM 285 NH2 ARG A 20 2.495 28.969 -3.359 1.00 25.00 N ATOM 0 H ARG A 20 2.882 21.309 0.517 1.00 25.00 H new ATOM 0 HA ARG A 20 1.351 22.718 -1.593 1.00 25.00 H new ATOM 0 HB2 ARG A 20 1.558 24.017 0.402 1.00 25.00 H new ATOM 0 HB3 ARG A 20 3.213 23.508 0.670 1.00 25.00 H new ATOM 0 HG2 ARG A 20 3.237 25.827 0.058 1.00 25.00 H new ATOM 0 HG3 ARG A 20 3.938 24.915 -1.264 1.00 25.00 H new ATOM 0 HD2 ARG A 20 1.909 25.121 -2.587 1.00 25.00 H new ATOM 0 HD3 ARG A 20 1.022 25.788 -1.231 1.00 25.00 H new ATOM 0 HE ARG A 20 3.122 27.553 -1.468 1.00 25.00 H new ATOM 0 HH11 ARG A 20 0.800 26.331 -3.865 1.00 25.00 H new ATOM 0 HH12 ARG A 20 0.882 27.821 -4.810 1.00 25.00 H new ATOM 0 HH21 ARG A 20 3.168 29.380 -2.712 1.00 25.00 H new ATOM 0 HH22 ARG A 20 2.184 29.496 -4.175 1.00 25.00 H new ATOM 299 N SER A 21 4.552 22.006 -1.689 1.00 25.00 N ATOM 300 CA SER A 21 5.704 21.923 -2.595 1.00 25.00 C ATOM 301 C SER A 21 6.069 20.493 -2.951 1.00 25.00 C ATOM 302 O SER A 21 6.653 20.244 -4.001 1.00 25.00 O ATOM 303 CB SER A 21 6.908 22.621 -1.969 1.00 25.00 C ATOM 304 OG SER A 21 6.594 23.964 -1.674 1.00 25.00 O ATOM 0 H SER A 21 4.720 21.631 -0.755 1.00 25.00 H new ATOM 0 HA SER A 21 5.418 22.423 -3.521 1.00 25.00 H new ATOM 0 HB2 SER A 21 7.206 22.101 -1.058 1.00 25.00 H new ATOM 0 HB3 SER A 21 7.757 22.580 -2.652 1.00 25.00 H new ATOM 0 HG SER A 21 7.274 24.552 -2.065 1.00 25.00 H new ATOM 310 N SER A 22 5.733 19.546 -2.089 1.00 25.00 N ATOM 311 CA SER A 22 5.991 18.141 -2.369 1.00 25.00 C ATOM 312 C SER A 22 4.929 17.637 -3.338 1.00 25.00 C ATOM 313 O SER A 22 3.818 18.168 -3.387 1.00 25.00 O ATOM 314 CB SER A 22 5.965 17.343 -1.077 1.00 25.00 C ATOM 315 OG SER A 22 6.765 17.978 -0.096 1.00 25.00 O ATOM 0 H SER A 22 5.282 19.723 -1.191 1.00 25.00 H new ATOM 0 HA SER A 22 6.976 18.021 -2.819 1.00 25.00 H new ATOM 0 HB2 SER A 22 4.940 17.251 -0.718 1.00 25.00 H new ATOM 0 HB3 SER A 22 6.331 16.332 -1.257 1.00 25.00 H new ATOM 0 HG SER A 22 6.740 17.457 0.734 1.00 25.00 H new ATOM 321 N PHE A 23 5.293 16.652 -4.140 1.00 25.00 N ATOM 322 CA PHE A 23 4.438 16.201 -5.232 1.00 25.00 C ATOM 323 C PHE A 23 4.476 14.690 -5.390 1.00 25.00 C ATOM 324 O PHE A 23 5.310 14.002 -4.796 1.00 25.00 O ATOM 325 CB PHE A 23 4.913 16.852 -6.540 1.00 25.00 C ATOM 326 CG PHE A 23 6.384 16.714 -6.798 1.00 25.00 C ATOM 327 CD1 PHE A 23 7.218 17.829 -6.701 1.00 25.00 C ATOM 328 CD2 PHE A 23 6.948 15.459 -7.149 1.00 25.00 C ATOM 329 CE1 PHE A 23 8.617 17.723 -6.936 1.00 25.00 C ATOM 330 CE2 PHE A 23 8.344 15.342 -7.396 1.00 25.00 C ATOM 331 CZ PHE A 23 9.185 16.476 -7.284 1.00 25.00 C ATOM 0 H PHE A 23 6.175 16.147 -4.058 1.00 25.00 H new ATOM 0 HA PHE A 23 3.413 16.492 -5.002 1.00 25.00 H new ATOM 0 HB2 PHE A 23 4.367 16.409 -7.372 1.00 25.00 H new ATOM 0 HB3 PHE A 23 4.657 17.911 -6.519 1.00 25.00 H new ATOM 0 HD1 PHE A 23 6.794 18.788 -6.443 1.00 25.00 H new ATOM 0 HD2 PHE A 23 6.314 14.589 -7.229 1.00 25.00 H new ATOM 0 HE1 PHE A 23 9.246 18.596 -6.848 1.00 25.00 H new ATOM 0 HE2 PHE A 23 8.764 14.385 -7.670 1.00 25.00 H new ATOM 0 HZ PHE A 23 10.247 16.389 -7.462 1.00 25.00 H new ATOM 341 N TYR A 24 3.616 14.193 -6.260 1.00 25.00 N ATOM 342 CA TYR A 24 3.645 12.804 -6.696 1.00 25.00 C ATOM 343 C TYR A 24 4.332 12.853 -8.047 1.00 25.00 C ATOM 344 O TYR A 24 4.247 13.871 -8.723 1.00 25.00 O ATOM 345 CB TYR A 24 2.237 12.272 -6.909 1.00 25.00 C ATOM 346 CG TYR A 24 1.445 12.021 -5.657 1.00 25.00 C ATOM 347 CD1 TYR A 24 1.774 10.972 -4.796 1.00 25.00 C ATOM 348 CD2 TYR A 24 0.320 12.810 -5.342 1.00 25.00 C ATOM 349 CE1 TYR A 24 1.023 10.711 -3.626 1.00 25.00 C ATOM 350 CE2 TYR A 24 -0.448 12.536 -4.181 1.00 25.00 C ATOM 351 CZ TYR A 24 -0.082 11.496 -3.331 1.00 25.00 C ATOM 352 OH TYR A 24 -0.806 11.241 -2.190 1.00 25.00 O ATOM 0 H TYR A 24 2.872 14.743 -6.688 1.00 25.00 H new ATOM 0 HA TYR A 24 4.139 12.166 -5.963 1.00 25.00 H new ATOM 0 HB2 TYR A 24 1.689 12.982 -7.529 1.00 25.00 H new ATOM 0 HB3 TYR A 24 2.300 11.340 -7.471 1.00 25.00 H new ATOM 0 HD1 TYR A 24 2.622 10.345 -5.029 1.00 25.00 H new ATOM 0 HD2 TYR A 24 0.041 13.629 -5.989 1.00 25.00 H new ATOM 0 HE1 TYR A 24 1.308 9.905 -2.966 1.00 25.00 H new ATOM 0 HE2 TYR A 24 -1.318 13.135 -3.956 1.00 25.00 H new ATOM 0 HH TYR A 24 -1.548 11.878 -2.124 1.00 25.00 H new ATOM 362 N SER A 25 4.997 11.788 -8.425 1.00 25.00 N ATOM 363 CA SER A 25 5.710 11.724 -9.688 1.00 25.00 C ATOM 364 C SER A 25 5.565 10.328 -10.260 1.00 25.00 C ATOM 365 O SER A 25 5.505 9.340 -9.515 1.00 25.00 O ATOM 366 CB SER A 25 7.179 12.042 -9.446 1.00 25.00 C ATOM 367 OG SER A 25 7.948 11.885 -10.627 1.00 25.00 O ATOM 0 H SER A 25 5.062 10.936 -7.867 1.00 25.00 H new ATOM 0 HA SER A 25 5.301 12.447 -10.393 1.00 25.00 H new ATOM 0 HB2 SER A 25 7.275 13.065 -9.082 1.00 25.00 H new ATOM 0 HB3 SER A 25 7.570 11.388 -8.667 1.00 25.00 H new ATOM 0 HG SER A 25 8.886 12.098 -10.438 1.00 25.00 H new ATOM 373 N CYS A 26 5.496 10.249 -11.575 1.00 25.00 N ATOM 374 CA CYS A 26 5.416 8.974 -12.273 1.00 25.00 C ATOM 375 C CYS A 26 6.534 8.959 -13.300 1.00 25.00 C ATOM 376 O CYS A 26 6.767 9.960 -13.980 1.00 25.00 O ATOM 377 CB CYS A 26 4.059 8.813 -12.971 1.00 25.00 C ATOM 378 SG CYS A 26 2.640 8.746 -11.821 1.00 25.00 S ATOM 0 H CYS A 26 5.494 11.062 -12.191 1.00 25.00 H new ATOM 0 HA CYS A 26 5.517 8.150 -11.567 1.00 25.00 H new ATOM 0 HB2 CYS A 26 3.916 9.644 -13.662 1.00 25.00 H new ATOM 0 HB3 CYS A 26 4.074 7.901 -13.568 1.00 25.00 H new ATOM 383 N ALA A 27 7.230 7.831 -13.394 1.00 25.00 N ATOM 384 CA ALA A 27 8.290 7.636 -14.381 1.00 25.00 C ATOM 385 C ALA A 27 8.298 6.154 -14.769 1.00 25.00 C ATOM 386 O ALA A 27 8.481 5.303 -13.897 1.00 25.00 O ATOM 387 CB ALA A 27 9.646 8.039 -13.800 1.00 25.00 C ATOM 0 H ALA A 27 7.076 7.025 -12.788 1.00 25.00 H new ATOM 0 HA ALA A 27 8.108 8.259 -15.257 1.00 25.00 H new ATOM 0 HB1 ALA A 27 10.423 7.887 -14.549 1.00 25.00 H new ATOM 0 HB2 ALA A 27 9.621 9.090 -13.512 1.00 25.00 H new ATOM 0 HB3 ALA A 27 9.863 7.428 -12.924 1.00 25.00 H new ATOM 393 N ALA A 28 8.043 5.858 -16.040 1.00 25.00 N ATOM 394 CA ALA A 28 7.897 4.491 -16.552 1.00 25.00 C ATOM 395 C ALA A 28 6.837 3.726 -15.742 1.00 25.00 C ATOM 396 O ALA A 28 6.962 2.524 -15.497 1.00 25.00 O ATOM 397 CB ALA A 28 9.262 3.758 -16.550 1.00 25.00 C ATOM 0 H ALA A 28 7.929 6.572 -16.760 1.00 25.00 H new ATOM 0 HA ALA A 28 7.554 4.537 -17.586 1.00 25.00 H new ATOM 0 HB1 ALA A 28 9.132 2.746 -16.933 1.00 25.00 H new ATOM 0 HB2 ALA A 28 9.966 4.298 -17.183 1.00 25.00 H new ATOM 0 HB3 ALA A 28 9.650 3.714 -15.532 1.00 25.00 H new ATOM 403 N GLY A 29 5.811 4.442 -15.307 1.00 25.00 N ATOM 404 CA GLY A 29 4.719 3.852 -14.540 1.00 25.00 C ATOM 405 C GLY A 29 5.085 3.550 -13.103 1.00 25.00 C ATOM 406 O GLY A 29 4.277 2.989 -12.372 1.00 25.00 O ATOM 0 H GLY A 29 5.710 5.443 -15.473 1.00 25.00 H new ATOM 0 HA2 GLY A 29 3.867 4.531 -14.554 1.00 25.00 H new ATOM 0 HA3 GLY A 29 4.400 2.930 -15.027 1.00 25.00 H new ATOM 410 N ARG A 30 6.292 3.893 -12.680 1.00 25.00 N ATOM 411 CA ARG A 30 6.727 3.661 -11.297 1.00 25.00 C ATOM 412 C ARG A 30 6.363 4.903 -10.502 1.00 25.00 C ATOM 413 O ARG A 30 6.401 6.003 -11.038 1.00 25.00 O ATOM 414 CB ARG A 30 8.241 3.434 -11.219 1.00 25.00 C ATOM 415 CG ARG A 30 8.783 2.331 -12.149 1.00 25.00 C ATOM 416 CD ARG A 30 8.133 0.967 -11.923 1.00 25.00 C ATOM 417 NE ARG A 30 8.722 -0.044 -12.811 1.00 25.00 N ATOM 418 CZ ARG A 30 9.744 -0.837 -12.517 1.00 25.00 C ATOM 419 NH1 ARG A 30 10.349 -0.813 -11.354 1.00 25.00 N ATOM 420 NH2 ARG A 30 10.175 -1.674 -13.410 1.00 25.00 N ATOM 0 H ARG A 30 6.996 4.335 -13.272 1.00 25.00 H new ATOM 0 HA ARG A 30 6.240 2.770 -10.901 1.00 25.00 H new ATOM 0 HB2 ARG A 30 8.746 4.370 -11.457 1.00 25.00 H new ATOM 0 HB3 ARG A 30 8.503 3.183 -10.191 1.00 25.00 H new ATOM 0 HG2 ARG A 30 8.627 2.632 -13.185 1.00 25.00 H new ATOM 0 HG3 ARG A 30 9.859 2.240 -12.002 1.00 25.00 H new ATOM 0 HD2 ARG A 30 8.263 0.665 -10.884 1.00 25.00 H new ATOM 0 HD3 ARG A 30 7.060 1.036 -12.104 1.00 25.00 H new ATOM 0 HE ARG A 30 8.308 -0.145 -13.738 1.00 25.00 H new ATOM 0 HH11 ARG A 30 10.037 -0.165 -10.630 1.00 25.00 H new ATOM 0 HH12 ARG A 30 11.131 -1.442 -11.173 1.00 25.00 H new ATOM 0 HH21 ARG A 30 9.729 -1.717 -14.326 1.00 25.00 H new ATOM 0 HH22 ARG A 30 10.960 -2.289 -13.196 1.00 25.00 H new ATOM 434 N LEU A 31 5.984 4.720 -9.247 1.00 25.00 N ATOM 435 CA LEU A 31 5.585 5.843 -8.394 1.00 25.00 C ATOM 436 C LEU A 31 6.784 6.398 -7.648 1.00 25.00 C ATOM 437 O LEU A 31 7.530 5.652 -7.032 1.00 25.00 O ATOM 438 CB LEU A 31 4.563 5.378 -7.346 1.00 25.00 C ATOM 439 CG LEU A 31 3.388 6.317 -6.994 1.00 25.00 C ATOM 440 CD1 LEU A 31 2.683 5.768 -5.744 1.00 25.00 C ATOM 441 CD2 LEU A 31 3.767 7.762 -6.726 1.00 25.00 C ATOM 0 H LEU A 31 5.942 3.808 -8.791 1.00 25.00 H new ATOM 0 HA LEU A 31 5.153 6.609 -9.038 1.00 25.00 H new ATOM 0 HB2 LEU A 31 4.141 4.434 -7.691 1.00 25.00 H new ATOM 0 HB3 LEU A 31 5.106 5.167 -6.425 1.00 25.00 H new ATOM 0 HG LEU A 31 2.749 6.332 -7.877 1.00 25.00 H new ATOM 0 HD11 LEU A 31 1.850 6.419 -5.481 1.00 25.00 H new ATOM 0 HD12 LEU A 31 2.309 4.765 -5.948 1.00 25.00 H new ATOM 0 HD13 LEU A 31 3.390 5.730 -4.915 1.00 25.00 H new ATOM 0 HD21 LEU A 31 2.871 8.335 -6.489 1.00 25.00 H new ATOM 0 HD22 LEU A 31 4.459 7.807 -5.885 1.00 25.00 H new ATOM 0 HD23 LEU A 31 4.243 8.183 -7.611 1.00 25.00 H new ATOM 453 N PHE A 32 6.909 7.711 -7.650 1.00 25.00 N ATOM 454 CA PHE A 32 7.866 8.396 -6.792 1.00 25.00 C ATOM 455 C PHE A 32 7.084 9.447 -6.020 1.00 25.00 C ATOM 456 O PHE A 32 6.204 10.088 -6.575 1.00 25.00 O ATOM 457 CB PHE A 32 8.976 9.049 -7.618 1.00 25.00 C ATOM 458 CG PHE A 32 9.869 8.062 -8.300 1.00 25.00 C ATOM 459 CD1 PHE A 32 9.461 7.453 -9.492 1.00 25.00 C ATOM 460 CD2 PHE A 32 11.116 7.717 -7.741 1.00 25.00 C ATOM 461 CE1 PHE A 32 10.292 6.511 -10.149 1.00 25.00 C ATOM 462 CE2 PHE A 32 11.959 6.775 -8.380 1.00 25.00 C ATOM 463 CZ PHE A 32 11.553 6.177 -9.591 1.00 25.00 C ATOM 0 H PHE A 32 6.356 8.332 -8.240 1.00 25.00 H new ATOM 0 HA PHE A 32 8.351 7.692 -6.116 1.00 25.00 H new ATOM 0 HB2 PHE A 32 8.526 9.699 -8.368 1.00 25.00 H new ATOM 0 HB3 PHE A 32 9.578 9.683 -6.967 1.00 25.00 H new ATOM 0 HD1 PHE A 32 8.500 7.704 -9.917 1.00 25.00 H new ATOM 0 HD2 PHE A 32 11.432 8.176 -6.816 1.00 25.00 H new ATOM 0 HE1 PHE A 32 9.967 6.050 -11.070 1.00 25.00 H new ATOM 0 HE2 PHE A 32 12.911 6.515 -7.941 1.00 25.00 H new ATOM 0 HZ PHE A 32 12.198 5.469 -10.091 1.00 25.00 H new ATOM 473 N GLN A 33 7.389 9.622 -4.749 1.00 25.00 N ATOM 474 CA GLN A 33 6.774 10.674 -3.944 1.00 25.00 C ATOM 475 C GLN A 33 7.960 11.464 -3.423 1.00 25.00 C ATOM 476 O GLN A 33 8.843 10.888 -2.788 1.00 25.00 O ATOM 477 CB GLN A 33 5.938 10.081 -2.823 1.00 25.00 C ATOM 478 CG GLN A 33 4.788 9.194 -3.334 1.00 25.00 C ATOM 479 CD GLN A 33 3.904 8.697 -2.213 1.00 25.00 C ATOM 480 OE1 GLN A 33 3.321 9.473 -1.483 1.00 25.00 O ATOM 481 NE2 GLN A 33 3.812 7.390 -2.064 1.00 25.00 N ATOM 0 H GLN A 33 8.063 9.048 -4.243 1.00 25.00 H new ATOM 0 HA GLN A 33 6.082 11.300 -4.507 1.00 25.00 H new ATOM 0 HB2 GLN A 33 6.582 9.491 -2.170 1.00 25.00 H new ATOM 0 HB3 GLN A 33 5.525 10.889 -2.219 1.00 25.00 H new ATOM 0 HG2 GLN A 33 4.185 9.759 -4.046 1.00 25.00 H new ATOM 0 HG3 GLN A 33 5.202 8.341 -3.873 1.00 25.00 H new ATOM 0 HE21 GLN A 33 4.316 6.768 -2.696 1.00 25.00 H new ATOM 0 HE22 GLN A 33 3.237 7.001 -1.317 1.00 25.00 H new ATOM 490 N GLN A 34 8.067 12.723 -3.823 1.00 25.00 N ATOM 491 CA GLN A 34 9.278 13.502 -3.574 1.00 25.00 C ATOM 492 C GLN A 34 8.932 14.926 -3.183 1.00 25.00 C ATOM 493 O GLN A 34 7.806 15.380 -3.377 1.00 25.00 O ATOM 494 CB GLN A 34 10.150 13.517 -4.840 1.00 25.00 C ATOM 495 CG GLN A 34 10.593 12.142 -5.337 1.00 25.00 C ATOM 496 CD GLN A 34 11.353 12.222 -6.638 1.00 25.00 C ATOM 497 OE1 GLN A 34 10.822 12.631 -7.650 1.00 25.00 O ATOM 498 NE2 GLN A 34 12.591 11.808 -6.619 1.00 25.00 N ATOM 0 H GLN A 34 7.334 13.228 -4.320 1.00 25.00 H new ATOM 0 HA GLN A 34 9.824 13.038 -2.753 1.00 25.00 H new ATOM 0 HB2 GLN A 34 9.597 14.014 -5.637 1.00 25.00 H new ATOM 0 HB3 GLN A 34 11.037 14.119 -4.644 1.00 25.00 H new ATOM 0 HG2 GLN A 34 11.220 11.669 -4.581 1.00 25.00 H new ATOM 0 HG3 GLN A 34 9.718 11.506 -5.468 1.00 25.00 H new ATOM 0 HE21 GLN A 34 13.003 11.471 -5.749 1.00 25.00 H new ATOM 0 HE22 GLN A 34 13.146 11.821 -7.474 1.00 25.00 H new ATOM 507 N SER A 35 9.911 15.640 -2.654 1.00 25.00 N ATOM 508 CA SER A 35 9.717 17.017 -2.237 1.00 25.00 C ATOM 509 C SER A 35 10.444 17.986 -3.159 1.00 25.00 C ATOM 510 O SER A 35 11.463 17.643 -3.765 1.00 25.00 O ATOM 511 CB SER A 35 10.214 17.190 -0.802 1.00 25.00 C ATOM 512 OG SER A 35 11.577 16.805 -0.700 1.00 25.00 O ATOM 0 H SER A 35 10.855 15.285 -2.503 1.00 25.00 H new ATOM 0 HA SER A 35 8.652 17.243 -2.289 1.00 25.00 H new ATOM 0 HB2 SER A 35 10.099 18.229 -0.493 1.00 25.00 H new ATOM 0 HB3 SER A 35 9.608 16.588 -0.125 1.00 25.00 H new ATOM 0 HG SER A 35 11.882 16.923 0.224 1.00 25.00 H new ATOM 518 N CYS A 36 9.951 19.206 -3.212 1.00 25.00 N ATOM 519 CA CYS A 36 10.632 20.288 -3.909 1.00 25.00 C ATOM 520 C CYS A 36 10.975 21.286 -2.798 1.00 25.00 C ATOM 521 O CYS A 36 10.084 21.942 -2.283 1.00 25.00 O ATOM 522 CB CYS A 36 9.719 20.914 -4.964 1.00 25.00 C ATOM 523 SG CYS A 36 10.615 21.282 -6.495 1.00 25.00 S ATOM 0 H CYS A 36 9.070 19.479 -2.776 1.00 25.00 H new ATOM 0 HA CYS A 36 11.517 19.954 -4.450 1.00 25.00 H new ATOM 0 HB2 CYS A 36 8.894 20.235 -5.180 1.00 25.00 H new ATOM 0 HB3 CYS A 36 9.282 21.831 -4.569 1.00 25.00 H new ATOM 528 N PRO A 37 12.223 21.259 -2.288 1.00 25.00 N ATOM 529 CA PRO A 37 12.470 21.943 -1.007 1.00 25.00 C ATOM 530 C PRO A 37 12.691 23.477 -1.041 1.00 25.00 C ATOM 531 O PRO A 37 11.771 24.256 -0.823 1.00 25.00 O ATOM 532 CB PRO A 37 13.699 21.186 -0.479 1.00 25.00 C ATOM 533 CG PRO A 37 14.462 20.828 -1.714 1.00 25.00 C ATOM 534 CD PRO A 37 13.406 20.476 -2.719 1.00 25.00 C ATOM 0 HA PRO A 37 11.581 21.905 -0.378 1.00 25.00 H new ATOM 0 HB2 PRO A 37 14.293 21.808 0.191 1.00 25.00 H new ATOM 0 HB3 PRO A 37 13.410 20.298 0.083 1.00 25.00 H new ATOM 0 HG2 PRO A 37 15.075 21.661 -2.058 1.00 25.00 H new ATOM 0 HG3 PRO A 37 15.135 19.990 -1.536 1.00 25.00 H new ATOM 0 HD2 PRO A 37 13.713 20.742 -3.730 1.00 25.00 H new ATOM 0 HD3 PRO A 37 13.197 19.406 -2.720 1.00 25.00 H new ATOM 542 N THR A 38 13.940 23.930 -1.143 1.00 25.00 N ATOM 543 CA THR A 38 14.263 25.327 -0.925 1.00 25.00 C ATOM 544 C THR A 38 13.806 26.262 -2.040 1.00 25.00 C ATOM 545 O THR A 38 14.317 26.222 -3.150 1.00 25.00 O ATOM 546 CB THR A 38 15.776 25.460 -0.775 1.00 25.00 C ATOM 547 OG1 THR A 38 16.403 24.393 -1.494 1.00 25.00 O ATOM 548 CG2 THR A 38 16.194 25.357 0.685 1.00 25.00 C ATOM 0 H THR A 38 14.741 23.343 -1.376 1.00 25.00 H new ATOM 0 HA THR A 38 13.725 25.629 -0.026 1.00 25.00 H new ATOM 0 HB THR A 38 16.077 26.433 -1.163 1.00 25.00 H new ATOM 0 HG1 THR A 38 17.376 24.468 -1.407 1.00 25.00 H new ATOM 0 HG21 THR A 38 17.277 25.455 0.761 1.00 25.00 H new ATOM 0 HG22 THR A 38 15.716 26.152 1.257 1.00 25.00 H new ATOM 0 HG23 THR A 38 15.889 24.390 1.084 1.00 25.00 H new ATOM 556 N GLY A 39 12.875 27.145 -1.692 1.00 25.00 N ATOM 557 CA GLY A 39 12.447 28.208 -2.590 1.00 25.00 C ATOM 558 C GLY A 39 11.518 27.781 -3.717 1.00 25.00 C ATOM 559 O GLY A 39 11.261 28.561 -4.631 1.00 25.00 O ATOM 0 H GLY A 39 12.401 27.143 -0.789 1.00 25.00 H new ATOM 0 HA2 GLY A 39 11.946 28.977 -2.002 1.00 25.00 H new ATOM 0 HA3 GLY A 39 13.333 28.668 -3.028 1.00 25.00 H new ATOM 563 N LEU A 40 11.050 26.551 -3.675 1.00 25.00 N ATOM 564 CA LEU A 40 10.275 25.986 -4.772 1.00 25.00 C ATOM 565 C LEU A 40 8.898 25.520 -4.320 1.00 25.00 C ATOM 566 O LEU A 40 8.684 25.215 -3.154 1.00 25.00 O ATOM 567 CB LEU A 40 11.056 24.808 -5.362 1.00 25.00 C ATOM 568 CG LEU A 40 12.430 25.141 -5.959 1.00 25.00 C ATOM 569 CD1 LEU A 40 13.237 23.860 -6.168 1.00 25.00 C ATOM 570 CD2 LEU A 40 12.278 25.870 -7.289 1.00 25.00 C ATOM 0 H LEU A 40 11.191 25.916 -2.890 1.00 25.00 H new ATOM 0 HA LEU A 40 10.120 26.762 -5.522 1.00 25.00 H new ATOM 0 HB2 LEU A 40 11.193 24.061 -4.580 1.00 25.00 H new ATOM 0 HB3 LEU A 40 10.447 24.347 -6.139 1.00 25.00 H new ATOM 0 HG LEU A 40 12.956 25.791 -5.260 1.00 25.00 H new ATOM 0 HD11 LEU A 40 14.210 24.108 -6.592 1.00 25.00 H new ATOM 0 HD12 LEU A 40 13.376 23.357 -5.211 1.00 25.00 H new ATOM 0 HD13 LEU A 40 12.702 23.200 -6.850 1.00 25.00 H new ATOM 0 HD21 LEU A 40 13.264 26.096 -7.695 1.00 25.00 H new ATOM 0 HD22 LEU A 40 11.734 25.238 -7.990 1.00 25.00 H new ATOM 0 HD23 LEU A 40 11.727 26.798 -7.134 1.00 25.00 H new ATOM 582 N VAL A 41 7.962 25.488 -5.262 1.00 25.00 N ATOM 583 CA VAL A 41 6.578 25.074 -5.005 1.00 25.00 C ATOM 584 C VAL A 41 6.131 24.211 -6.183 1.00 25.00 C ATOM 585 O VAL A 41 6.716 24.302 -7.257 1.00 25.00 O ATOM 586 CB VAL A 41 5.618 26.308 -4.866 1.00 25.00 C ATOM 587 CG1 VAL A 41 5.945 27.117 -3.600 1.00 25.00 C ATOM 588 CG2 VAL A 41 5.692 27.231 -6.104 1.00 25.00 C ATOM 0 H VAL A 41 8.138 25.749 -6.232 1.00 25.00 H new ATOM 0 HA VAL A 41 6.535 24.523 -4.066 1.00 25.00 H new ATOM 0 HB VAL A 41 4.604 25.916 -4.789 1.00 25.00 H new ATOM 0 HG11 VAL A 41 5.266 27.967 -3.526 1.00 25.00 H new ATOM 0 HG12 VAL A 41 5.828 26.482 -2.722 1.00 25.00 H new ATOM 0 HG13 VAL A 41 6.973 27.477 -3.653 1.00 25.00 H new ATOM 0 HG21 VAL A 41 5.014 28.074 -5.971 1.00 25.00 H new ATOM 0 HG22 VAL A 41 6.711 27.600 -6.222 1.00 25.00 H new ATOM 0 HG23 VAL A 41 5.404 26.671 -6.993 1.00 25.00 H new ATOM 598 N PHE A 42 5.096 23.413 -6.022 1.00 25.00 N ATOM 599 CA PHE A 42 4.600 22.641 -7.149 1.00 25.00 C ATOM 600 C PHE A 42 3.576 23.487 -7.920 1.00 25.00 C ATOM 601 O PHE A 42 2.766 24.207 -7.326 1.00 25.00 O ATOM 602 CB PHE A 42 3.938 21.346 -6.696 1.00 25.00 C ATOM 603 CG PHE A 42 3.339 20.575 -7.840 1.00 25.00 C ATOM 604 CD1 PHE A 42 4.167 20.044 -8.838 1.00 25.00 C ATOM 605 CD2 PHE A 42 1.946 20.419 -7.956 1.00 25.00 C ATOM 606 CE1 PHE A 42 3.617 19.380 -9.947 1.00 25.00 C ATOM 607 CE2 PHE A 42 1.388 19.737 -9.074 1.00 25.00 C ATOM 608 CZ PHE A 42 2.231 19.217 -10.068 1.00 25.00 C ATOM 0 H PHE A 42 4.590 23.281 -5.146 1.00 25.00 H new ATOM 0 HA PHE A 42 5.447 22.383 -7.785 1.00 25.00 H new ATOM 0 HB2 PHE A 42 4.675 20.723 -6.189 1.00 25.00 H new ATOM 0 HB3 PHE A 42 3.159 21.575 -5.969 1.00 25.00 H new ATOM 0 HD1 PHE A 42 5.239 20.146 -8.754 1.00 25.00 H new ATOM 0 HD2 PHE A 42 1.296 20.819 -7.192 1.00 25.00 H new ATOM 0 HE1 PHE A 42 4.270 18.991 -10.715 1.00 25.00 H new ATOM 0 HE2 PHE A 42 0.318 19.620 -9.157 1.00 25.00 H new ATOM 0 HZ PHE A 42 1.815 18.696 -10.918 1.00 25.00 H new ATOM 618 N SER A 43 3.589 23.359 -9.245 1.00 25.00 N ATOM 619 CA SER A 43 2.643 24.054 -10.110 1.00 25.00 C ATOM 620 C SER A 43 1.923 23.059 -11.025 1.00 25.00 C ATOM 621 O SER A 43 2.496 22.528 -11.976 1.00 25.00 O ATOM 622 CB SER A 43 3.371 25.117 -10.933 1.00 25.00 C ATOM 623 OG SER A 43 2.445 25.804 -11.759 1.00 25.00 O ATOM 0 H SER A 43 4.255 22.771 -9.747 1.00 25.00 H new ATOM 0 HA SER A 43 1.894 24.547 -9.490 1.00 25.00 H new ATOM 0 HB2 SER A 43 3.873 25.822 -10.270 1.00 25.00 H new ATOM 0 HB3 SER A 43 4.142 24.650 -11.546 1.00 25.00 H new ATOM 0 HG SER A 43 2.917 26.485 -12.283 1.00 25.00 H new ATOM 629 N ASN A 44 0.649 22.822 -10.724 1.00 25.00 N ATOM 630 CA ASN A 44 -0.159 21.862 -11.482 1.00 25.00 C ATOM 631 C ASN A 44 -0.384 22.298 -12.935 1.00 25.00 C ATOM 632 O ASN A 44 -0.626 21.462 -13.797 1.00 25.00 O ATOM 633 CB ASN A 44 -1.529 21.707 -10.798 1.00 25.00 C ATOM 634 CG ASN A 44 -2.387 20.650 -11.455 1.00 25.00 C ATOM 635 OD1 ASN A 44 -1.951 19.535 -11.686 1.00 25.00 O ATOM 636 ND2 ASN A 44 -3.609 21.001 -11.747 1.00 25.00 N ATOM 0 H ASN A 44 0.151 23.280 -9.961 1.00 25.00 H new ATOM 0 HA ASN A 44 0.387 20.919 -11.498 1.00 25.00 H new ATOM 0 HB2 ASN A 44 -1.381 21.450 -9.749 1.00 25.00 H new ATOM 0 HB3 ASN A 44 -2.053 22.662 -10.821 1.00 25.00 H new ATOM 0 HD21 ASN A 44 -4.241 20.331 -12.186 1.00 25.00 H new ATOM 0 HD22 ASN A 44 -3.933 21.945 -11.536 1.00 25.00 H new ATOM 643 N SER A 45 -0.318 23.596 -13.205 1.00 25.00 N ATOM 644 CA SER A 45 -0.558 24.116 -14.555 1.00 25.00 C ATOM 645 C SER A 45 0.506 23.647 -15.565 1.00 25.00 C ATOM 646 O SER A 45 0.198 23.481 -16.740 1.00 25.00 O ATOM 647 CB SER A 45 -0.591 25.648 -14.522 1.00 25.00 C ATOM 648 OG SER A 45 0.562 26.142 -13.865 1.00 25.00 O ATOM 0 H SER A 45 -0.101 24.311 -12.511 1.00 25.00 H new ATOM 0 HA SER A 45 -1.519 23.723 -14.886 1.00 25.00 H new ATOM 0 HB2 SER A 45 -0.638 26.041 -15.538 1.00 25.00 H new ATOM 0 HB3 SER A 45 -1.488 25.990 -14.006 1.00 25.00 H new ATOM 0 HG SER A 45 0.535 27.121 -13.849 1.00 25.00 H new ATOM 654 N CYS A 46 1.726 23.414 -15.106 1.00 25.00 N ATOM 655 CA CYS A 46 2.797 22.921 -15.976 1.00 25.00 C ATOM 656 C CYS A 46 3.145 21.472 -15.664 1.00 25.00 C ATOM 657 O CYS A 46 4.046 20.913 -16.266 1.00 25.00 O ATOM 658 CB CYS A 46 4.049 23.759 -15.775 1.00 25.00 C ATOM 659 SG CYS A 46 4.633 23.718 -14.055 1.00 25.00 S ATOM 0 H CYS A 46 2.005 23.557 -14.135 1.00 25.00 H new ATOM 0 HA CYS A 46 2.442 22.992 -17.004 1.00 25.00 H new ATOM 0 HB2 CYS A 46 4.838 23.395 -16.433 1.00 25.00 H new ATOM 0 HB3 CYS A 46 3.844 24.790 -16.063 1.00 25.00 H new ATOM 664 N LYS A 47 2.480 20.900 -14.653 1.00 25.00 N ATOM 665 CA LYS A 47 2.817 19.560 -14.126 1.00 25.00 C ATOM 666 C LYS A 47 4.292 19.519 -13.749 1.00 25.00 C ATOM 667 O LYS A 47 4.973 18.533 -13.995 1.00 25.00 O ATOM 668 CB LYS A 47 2.516 18.434 -15.140 1.00 25.00 C ATOM 669 CG LYS A 47 1.067 18.357 -15.594 1.00 25.00 C ATOM 670 CD LYS A 47 0.155 17.987 -14.447 1.00 25.00 C ATOM 671 CE LYS A 47 -1.265 17.845 -14.920 1.00 25.00 C ATOM 672 NZ LYS A 47 -2.123 17.461 -13.764 1.00 25.00 N ATOM 0 H LYS A 47 1.696 21.345 -14.175 1.00 25.00 H new ATOM 0 HA LYS A 47 2.192 19.388 -13.250 1.00 25.00 H new ATOM 0 HB2 LYS A 47 3.150 18.574 -16.016 1.00 25.00 H new ATOM 0 HB3 LYS A 47 2.794 17.479 -14.694 1.00 25.00 H new ATOM 0 HG2 LYS A 47 0.762 19.317 -16.010 1.00 25.00 H new ATOM 0 HG3 LYS A 47 0.971 17.620 -16.391 1.00 25.00 H new ATOM 0 HD2 LYS A 47 0.489 17.052 -13.998 1.00 25.00 H new ATOM 0 HD3 LYS A 47 0.210 18.751 -13.671 1.00 25.00 H new ATOM 0 HE2 LYS A 47 -1.614 18.783 -15.353 1.00 25.00 H new ATOM 0 HE3 LYS A 47 -1.328 17.090 -15.703 1.00 25.00 H new ATOM 0 HZ1 LYS A 47 -3.111 17.377 -14.078 1.00 25.00 H new ATOM 0 HZ2 LYS A 47 -1.802 16.549 -13.382 1.00 25.00 H new ATOM 0 HZ3 LYS A 47 -2.056 18.189 -13.025 1.00 25.00 H new ATOM 686 N CYS A 48 4.784 20.623 -13.209 1.00 25.00 N ATOM 687 CA CYS A 48 6.199 20.788 -12.934 1.00 25.00 C ATOM 688 C CYS A 48 6.390 21.530 -11.618 1.00 25.00 C ATOM 689 O CYS A 48 5.438 22.095 -11.072 1.00 25.00 O ATOM 690 CB CYS A 48 6.870 21.543 -14.100 1.00 25.00 C ATOM 691 SG CYS A 48 6.632 23.360 -14.177 1.00 25.00 S ATOM 0 H CYS A 48 4.213 21.428 -12.950 1.00 25.00 H new ATOM 0 HA CYS A 48 6.670 19.809 -12.842 1.00 25.00 H new ATOM 0 HB2 CYS A 48 7.941 21.345 -14.057 1.00 25.00 H new ATOM 0 HB3 CYS A 48 6.504 21.115 -15.033 1.00 25.00 H new ATOM 696 N CYS A 49 7.612 21.539 -11.113 1.00 25.00 N ATOM 697 CA CYS A 49 7.926 22.295 -9.906 1.00 25.00 C ATOM 698 C CYS A 49 8.523 23.616 -10.369 1.00 25.00 C ATOM 699 O CYS A 49 9.252 23.644 -11.365 1.00 25.00 O ATOM 700 CB CYS A 49 8.914 21.541 -9.025 1.00 25.00 C ATOM 701 SG CYS A 49 9.315 22.465 -7.509 1.00 25.00 S ATOM 0 H CYS A 49 8.402 21.035 -11.516 1.00 25.00 H new ATOM 0 HA CYS A 49 7.030 22.453 -9.305 1.00 25.00 H new ATOM 0 HB2 CYS A 49 8.495 20.571 -8.758 1.00 25.00 H new ATOM 0 HB3 CYS A 49 9.829 21.350 -9.586 1.00 25.00 H new ATOM 706 N THR A 50 8.170 24.704 -9.701 1.00 25.00 N ATOM 707 CA THR A 50 8.604 26.038 -10.112 1.00 25.00 C ATOM 708 C THR A 50 9.019 26.886 -8.924 1.00 25.00 C ATOM 709 O THR A 50 8.736 26.563 -7.777 1.00 25.00 O ATOM 710 CB THR A 50 7.454 26.823 -10.827 1.00 25.00 C ATOM 711 OG1 THR A 50 6.355 26.995 -9.925 1.00 25.00 O ATOM 712 CG2 THR A 50 6.946 26.100 -12.033 1.00 25.00 C ATOM 0 H THR A 50 7.582 24.693 -8.868 1.00 25.00 H new ATOM 0 HA THR A 50 9.445 25.874 -10.786 1.00 25.00 H new ATOM 0 HB THR A 50 7.867 27.783 -11.138 1.00 25.00 H new ATOM 0 HG1 THR A 50 6.519 27.775 -9.354 1.00 25.00 H new ATOM 0 HG21 THR A 50 6.149 26.681 -12.497 1.00 25.00 H new ATOM 0 HG22 THR A 50 7.759 25.965 -12.746 1.00 25.00 H new ATOM 0 HG23 THR A 50 6.558 25.125 -11.736 1.00 25.00 H new ATOM 720 N TRP A 51 9.642 28.006 -9.226 1.00 25.00 N ATOM 721 CA TRP A 51 9.895 29.043 -8.240 1.00 25.00 C ATOM 722 C TRP A 51 8.528 29.622 -7.852 1.00 25.00 C ATOM 723 O TRP A 51 7.540 29.398 -8.560 1.00 25.00 O ATOM 724 CB TRP A 51 10.745 30.141 -8.865 1.00 25.00 C ATOM 725 CG TRP A 51 12.176 29.736 -9.088 1.00 25.00 C ATOM 726 CD1 TRP A 51 12.664 28.906 -10.054 1.00 25.00 C ATOM 727 CD2 TRP A 51 13.328 30.144 -8.326 1.00 25.00 C ATOM 728 NE1 TRP A 51 14.013 28.757 -9.961 1.00 25.00 N ATOM 729 CE2 TRP A 51 14.466 29.510 -8.909 1.00 25.00 C ATOM 730 CE3 TRP A 51 13.519 30.991 -7.215 1.00 25.00 C ATOM 731 CZ2 TRP A 51 15.769 29.704 -8.415 1.00 25.00 C ATOM 732 CZ3 TRP A 51 14.834 31.187 -6.711 1.00 25.00 C ATOM 733 CH2 TRP A 51 15.943 30.537 -7.327 1.00 25.00 C ATOM 0 H TRP A 51 9.988 28.226 -10.160 1.00 25.00 H new ATOM 0 HA TRP A 51 10.421 28.644 -7.373 1.00 25.00 H new ATOM 0 HB2 TRP A 51 10.305 30.432 -9.819 1.00 25.00 H new ATOM 0 HB3 TRP A 51 10.720 31.020 -8.221 1.00 25.00 H new ATOM 0 HD1 TRP A 51 12.053 28.425 -10.803 1.00 25.00 H new ATOM 0 HE1 TRP A 51 14.591 28.181 -10.572 1.00 25.00 H new ATOM 0 HE3 TRP A 51 12.677 31.485 -6.753 1.00 25.00 H new ATOM 0 HZ2 TRP A 51 16.613 29.213 -8.876 1.00 25.00 H new ATOM 0 HZ3 TRP A 51 14.993 31.831 -5.858 1.00 25.00 H new ATOM 0 HH2 TRP A 51 16.937 30.699 -6.936 1.00 25.00 H new ATOM 744 N ASN A 52 8.460 30.343 -6.748 1.00 25.00 N ATOM 745 CA ASN A 52 7.203 30.975 -6.354 1.00 25.00 C ATOM 746 C ASN A 52 6.705 31.863 -7.516 1.00 25.00 C ATOM 747 O ASN A 52 7.468 32.629 -8.097 1.00 25.00 O ATOM 748 CB ASN A 52 7.414 31.812 -5.083 1.00 25.00 C ATOM 749 CG ASN A 52 6.114 32.221 -4.448 1.00 25.00 C ATOM 750 OD1 ASN A 52 5.060 31.699 -4.782 1.00 25.00 O ATOM 751 ND2 ASN A 52 6.183 33.135 -3.517 1.00 25.00 N ATOM 0 H ASN A 52 9.242 30.507 -6.114 1.00 25.00 H new ATOM 0 HA ASN A 52 6.454 30.213 -6.138 1.00 25.00 H new ATOM 0 HB2 ASN A 52 8.002 31.238 -4.366 1.00 25.00 H new ATOM 0 HB3 ASN A 52 7.992 32.703 -5.329 1.00 25.00 H new ATOM 0 HD21 ASN A 52 5.336 33.439 -3.037 1.00 25.00 H new ATOM 0 HD22 ASN A 52 7.084 33.544 -3.270 1.00 25.00 H new ATOM 758 N GLY A 53 5.447 31.681 -7.887 1.00 25.00 N ATOM 759 CA GLY A 53 4.904 32.242 -9.125 1.00 25.00 C ATOM 760 C GLY A 53 4.552 33.711 -9.176 1.00 25.00 C ATOM 761 O GLY A 53 3.467 34.065 -9.633 1.00 25.00 O ATOM 0 H GLY A 53 4.772 31.143 -7.344 1.00 25.00 H new ATOM 0 HA2 GLY A 53 5.628 32.050 -9.917 1.00 25.00 H new ATOM 0 HA3 GLY A 53 4.004 31.680 -9.373 1.00 25.00 H new ATOM 765 N LEU A 54 5.455 34.574 -8.730 1.00 25.00 N ATOM 766 CA LEU A 54 5.264 36.019 -8.836 1.00 25.00 C ATOM 767 C LEU A 54 5.479 36.403 -10.300 1.00 25.00 C ATOM 768 O LEU A 54 6.509 36.089 -10.879 1.00 25.00 O ATOM 769 CB LEU A 54 6.240 36.741 -7.910 1.00 25.00 C ATOM 770 CG LEU A 54 5.998 38.250 -7.754 1.00 25.00 C ATOM 771 CD1 LEU A 54 6.380 38.674 -6.339 1.00 25.00 C ATOM 772 CD2 LEU A 54 6.780 39.067 -8.774 1.00 25.00 C ATOM 0 H LEU A 54 6.332 34.299 -8.289 1.00 25.00 H new ATOM 0 HA LEU A 54 4.260 36.311 -8.529 1.00 25.00 H new ATOM 0 HB2 LEU A 54 6.192 36.278 -6.925 1.00 25.00 H new ATOM 0 HB3 LEU A 54 7.252 36.588 -8.285 1.00 25.00 H new ATOM 0 HG LEU A 54 4.940 38.443 -7.933 1.00 25.00 H new ATOM 0 HD11 LEU A 54 6.211 39.744 -6.222 1.00 25.00 H new ATOM 0 HD12 LEU A 54 5.770 38.129 -5.619 1.00 25.00 H new ATOM 0 HD13 LEU A 54 7.433 38.452 -6.164 1.00 25.00 H new ATOM 0 HD21 LEU A 54 6.577 40.127 -8.624 1.00 25.00 H new ATOM 0 HD22 LEU A 54 7.847 38.881 -8.649 1.00 25.00 H new ATOM 0 HD23 LEU A 54 6.477 38.778 -9.781 1.00 25.00 H new ATOM 784 N VAL A 55 4.498 37.057 -10.902 1.00 25.00 N ATOM 785 CA VAL A 55 4.574 37.437 -12.319 1.00 25.00 C ATOM 786 C VAL A 55 5.478 38.685 -12.463 1.00 25.00 C ATOM 787 O VAL A 55 5.192 39.741 -11.894 1.00 25.00 O ATOM 788 CB VAL A 55 3.159 37.742 -12.897 1.00 25.00 C ATOM 789 CG1 VAL A 55 3.236 38.088 -14.381 1.00 25.00 C ATOM 790 CG2 VAL A 55 2.237 36.532 -12.717 1.00 25.00 C ATOM 0 H VAL A 55 3.635 37.340 -10.437 1.00 25.00 H new ATOM 0 HA VAL A 55 4.995 36.603 -12.881 1.00 25.00 H new ATOM 0 HB VAL A 55 2.758 38.596 -12.352 1.00 25.00 H new ATOM 0 HG11 VAL A 55 2.235 38.296 -14.758 1.00 25.00 H new ATOM 0 HG12 VAL A 55 3.865 38.967 -14.517 1.00 25.00 H new ATOM 0 HG13 VAL A 55 3.663 37.248 -14.929 1.00 25.00 H new ATOM 0 HG21 VAL A 55 1.253 36.761 -13.126 1.00 25.00 H new ATOM 0 HG22 VAL A 55 2.657 35.673 -13.241 1.00 25.00 H new ATOM 0 HG23 VAL A 55 2.144 36.300 -11.656 1.00 25.00 H new ATOM 800 N PRO A 56 6.613 38.558 -13.182 1.00 25.00 N ATOM 801 CA PRO A 56 7.550 39.693 -13.243 1.00 25.00 C ATOM 802 C PRO A 56 7.342 40.665 -14.417 1.00 25.00 C ATOM 803 O PRO A 56 8.206 41.485 -14.706 1.00 25.00 O ATOM 804 CB PRO A 56 8.887 38.978 -13.408 1.00 25.00 C ATOM 805 CG PRO A 56 8.541 37.838 -14.323 1.00 25.00 C ATOM 806 CD PRO A 56 7.165 37.385 -13.898 1.00 25.00 C ATOM 0 HA PRO A 56 7.439 40.333 -12.368 1.00 25.00 H new ATOM 0 HB2 PRO A 56 9.644 39.631 -13.843 1.00 25.00 H new ATOM 0 HB3 PRO A 56 9.279 38.627 -12.453 1.00 25.00 H new ATOM 0 HG2 PRO A 56 8.545 38.156 -15.366 1.00 25.00 H new ATOM 0 HG3 PRO A 56 9.266 37.029 -14.234 1.00 25.00 H new ATOM 0 HD2 PRO A 56 6.550 37.114 -14.756 1.00 25.00 H new ATOM 0 HD3 PRO A 56 7.214 36.509 -13.252 1.00 25.00 H new ATOM 814 N ARG A 57 6.238 40.508 -15.137 1.00 25.00 N ATOM 815 CA ARG A 57 5.987 41.299 -16.350 1.00 25.00 C ATOM 816 C ARG A 57 4.490 41.469 -16.513 1.00 25.00 C ATOM 817 O ARG A 57 4.018 41.739 -17.637 1.00 25.00 O ATOM 818 CB ARG A 57 6.582 40.605 -17.585 1.00 25.00 C ATOM 819 CG ARG A 57 6.006 39.221 -17.856 1.00 25.00 C ATOM 820 CD ARG A 57 6.556 38.649 -19.155 1.00 25.00 C ATOM 821 NE ARG A 57 5.841 37.423 -19.554 1.00 25.00 N ATOM 822 CZ ARG A 57 4.689 37.392 -20.220 1.00 25.00 C ATOM 823 NH1 ARG A 57 4.169 36.242 -20.555 1.00 25.00 N ATOM 824 NH2 ARG A 57 4.051 38.483 -20.570 1.00 25.00 N ATOM 825 OXT ARG A 57 3.799 41.198 -15.526 1.00 25.00 O ATOM 0 H ARG A 57 5.499 39.843 -14.908 1.00 25.00 H new ATOM 0 HA ARG A 57 6.465 42.274 -16.254 1.00 25.00 H new ATOM 0 HB2 ARG A 57 6.414 41.235 -18.459 1.00 25.00 H new ATOM 0 HB3 ARG A 57 7.661 40.519 -17.456 1.00 25.00 H new ATOM 0 HG2 ARG A 57 6.248 38.554 -17.029 1.00 25.00 H new ATOM 0 HG3 ARG A 57 4.919 39.279 -17.911 1.00 25.00 H new ATOM 0 HD2 ARG A 57 6.471 39.394 -19.946 1.00 25.00 H new ATOM 0 HD3 ARG A 57 7.617 38.430 -19.036 1.00 25.00 H new ATOM 0 HE ARG A 57 6.262 36.529 -19.300 1.00 25.00 H new ATOM 0 HH11 ARG A 57 4.645 35.375 -20.306 1.00 25.00 H new ATOM 0 HH12 ARG A 57 3.286 36.211 -21.065 1.00 25.00 H new ATOM 0 HH21 ARG A 57 4.436 39.397 -20.332 1.00 25.00 H new ATOM 0 HH22 ARG A 57 3.170 38.417 -21.080 1.00 25.00 H new TER 839 ARG A 57