USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 397 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 16 CYS SG : rot -44:sc= -1.68! USER MOD Set 1.2: A 34 CYS SG : rot -91:sc= 1.84 USER MOD Set 1.3: A 38 TYR OH : rot -117:sc= 0.146 USER MOD Set 1.4: A 43 CYS SG : rot -85:sc= 0.594! USER MOD Set 2.1: A 8 CYS SG : rot 140:sc= 1.15 USER MOD Set 2.2: A 15 TYR OH : rot -171:sc= -0.862! USER MOD Set 2.3: A 21 CYS SG : rot 16:sc= -0.447 USER MOD Single : A 1 ARG N :NH3+ -176:sc= 0 (180deg=-0.00606) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 6 SER OG : rot 180:sc= -0.16 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.402 K(o=-0.4,f=-3.5!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -151:sc= -0.0142 (180deg=-0.449) USER MOD Single : A 14 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.081) USER MOD Single : A 18 LYS NZ :NH3+ 134:sc= -1.22 (180deg=-3.64!) USER MOD Single : A 28 GLN : amide:sc= -0.552 X(o=-0.55,f=-0.097) USER MOD Single : A 29 THR OG1 : rot 86:sc= 0.235 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0654 USER MOD Single : A 32 CYS SG : rot 31:sc= 0.902 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 7.816 10.296 -12.438 1.00 0.00 N ATOM 2 CA ARG A 1 7.445 10.052 -11.014 1.00 0.00 C ATOM 3 C ARG A 1 6.046 10.605 -10.730 1.00 0.00 C ATOM 4 O ARG A 1 5.055 9.917 -10.874 1.00 0.00 O ATOM 5 CB ARG A 1 8.495 10.806 -10.196 1.00 0.00 C ATOM 6 CG ARG A 1 9.740 9.931 -10.033 1.00 0.00 C ATOM 7 CD ARG A 1 9.367 8.643 -9.299 1.00 0.00 C ATOM 8 NE ARG A 1 10.258 8.607 -8.106 1.00 0.00 N ATOM 9 CZ ARG A 1 11.528 8.339 -8.248 1.00 0.00 C ATOM 10 NH1 ARG A 1 11.900 7.189 -8.740 1.00 0.00 N ATOM 11 NH2 ARG A 1 12.423 9.221 -7.897 1.00 0.00 N ATOM 0 H1 ARG A 1 8.738 9.857 -12.637 1.00 0.00 H new ATOM 0 H2 ARG A 1 7.094 9.881 -13.061 1.00 0.00 H new ATOM 0 H3 ARG A 1 7.876 11.320 -12.611 1.00 0.00 H new ATOM 0 HA ARG A 1 7.423 8.990 -10.769 1.00 0.00 H new ATOM 0 HB2 ARG A 1 8.757 11.740 -10.693 1.00 0.00 H new ATOM 0 HB3 ARG A 1 8.091 11.068 -9.218 1.00 0.00 H new ATOM 0 HG2 ARG A 1 10.162 9.696 -11.010 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.506 10.471 -9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 1 8.317 8.645 -9.007 1.00 0.00 H new ATOM 0 HD3 ARG A 1 9.520 7.769 -9.932 1.00 0.00 H new ATOM 0 HE ARG A 1 9.876 8.792 -7.178 1.00 0.00 H new ATOM 0 HH11 ARG A 1 11.199 6.500 -9.013 1.00 0.00 H new ATOM 0 HH12 ARG A 1 12.892 6.979 -8.851 1.00 0.00 H new ATOM 0 HH21 ARG A 1 12.130 10.119 -7.512 1.00 0.00 H new ATOM 0 HH22 ARG A 1 13.415 9.012 -8.008 1.00 0.00 H new ATOM 27 N LYS A 2 5.956 11.844 -10.329 1.00 0.00 N ATOM 28 CA LYS A 2 4.620 12.439 -10.037 1.00 0.00 C ATOM 29 C LYS A 2 3.971 11.727 -8.847 1.00 0.00 C ATOM 30 O LYS A 2 3.798 10.524 -8.849 1.00 0.00 O ATOM 31 CB LYS A 2 3.800 12.215 -11.308 1.00 0.00 C ATOM 32 CG LYS A 2 2.865 13.405 -11.529 1.00 0.00 C ATOM 33 CD LYS A 2 2.220 13.300 -12.912 1.00 0.00 C ATOM 34 CE LYS A 2 2.050 14.701 -13.505 1.00 0.00 C ATOM 35 NZ LYS A 2 1.563 14.472 -14.894 1.00 0.00 N ATOM 0 H LYS A 2 6.749 12.470 -10.191 1.00 0.00 H new ATOM 0 HA LYS A 2 4.687 13.495 -9.776 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.463 12.096 -12.165 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.221 11.295 -11.223 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.095 13.424 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.422 14.338 -11.446 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.840 12.689 -13.568 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.251 12.806 -12.836 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.337 15.290 -12.928 1.00 0.00 H new ATOM 0 HE3 LYS A 2 2.993 15.249 -13.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.422 15.387 -15.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.265 13.914 -15.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.661 13.955 -14.865 1.00 0.00 H new ATOM 49 N GLY A 3 3.611 12.462 -7.830 1.00 0.00 N ATOM 50 CA GLY A 3 2.974 11.829 -6.641 1.00 0.00 C ATOM 51 C GLY A 3 2.224 12.893 -5.837 1.00 0.00 C ATOM 52 O GLY A 3 2.664 13.317 -4.787 1.00 0.00 O ATOM 0 H GLY A 3 3.731 13.473 -7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.286 11.045 -6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.732 11.355 -6.018 1.00 0.00 H new ATOM 56 N HIS A 4 1.094 13.330 -6.322 1.00 0.00 N ATOM 57 CA HIS A 4 0.317 14.368 -5.586 1.00 0.00 C ATOM 58 C HIS A 4 -0.611 13.712 -4.562 1.00 0.00 C ATOM 59 O HIS A 4 -1.806 13.933 -4.560 1.00 0.00 O ATOM 60 CB HIS A 4 -0.497 15.089 -6.661 1.00 0.00 C ATOM 61 CG HIS A 4 -0.872 16.461 -6.171 1.00 0.00 C ATOM 62 ND1 HIS A 4 -2.133 16.747 -5.670 1.00 0.00 N ATOM 63 CD2 HIS A 4 -0.164 17.635 -6.097 1.00 0.00 C ATOM 64 CE1 HIS A 4 -2.144 18.047 -5.319 1.00 0.00 C ATOM 65 NE2 HIS A 4 -0.969 18.635 -5.558 1.00 0.00 N ATOM 0 H HIS A 4 0.675 13.013 -7.196 1.00 0.00 H new ATOM 0 HA HIS A 4 0.963 15.051 -5.035 1.00 0.00 H new ATOM 0 HB2 HIS A 4 0.083 15.166 -7.581 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -1.395 14.518 -6.897 1.00 0.00 H new ATOM 0 HD2 HIS A 4 0.862 17.763 -6.409 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -2.999 18.553 -4.896 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -0.716 19.607 -5.383 1.00 0.00 H new ATOM 73 N PHE A 5 -0.072 12.905 -3.689 1.00 0.00 N ATOM 74 CA PHE A 5 -0.925 12.236 -2.666 1.00 0.00 C ATOM 75 C PHE A 5 -0.124 11.992 -1.385 1.00 0.00 C ATOM 76 O PHE A 5 0.841 12.674 -1.106 1.00 0.00 O ATOM 77 CB PHE A 5 -1.335 10.908 -3.302 1.00 0.00 C ATOM 78 CG PHE A 5 -1.949 11.167 -4.656 1.00 0.00 C ATOM 79 CD1 PHE A 5 -3.242 11.697 -4.749 1.00 0.00 C ATOM 80 CD2 PHE A 5 -1.225 10.878 -5.819 1.00 0.00 C ATOM 81 CE1 PHE A 5 -3.811 11.938 -6.006 1.00 0.00 C ATOM 82 CE2 PHE A 5 -1.795 11.119 -7.075 1.00 0.00 C ATOM 83 CZ PHE A 5 -3.087 11.648 -7.168 1.00 0.00 C ATOM 0 H PHE A 5 0.922 12.680 -3.640 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.789 12.841 -2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.466 10.257 -3.403 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.048 10.390 -2.661 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.800 11.920 -3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.228 10.470 -5.747 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.808 12.347 -6.078 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.237 10.896 -7.973 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.526 11.833 -8.137 1.00 0.00 H new ATOM 93 N SER A 6 -0.518 11.023 -0.604 1.00 0.00 N ATOM 94 CA SER A 6 0.221 10.735 0.658 1.00 0.00 C ATOM 95 C SER A 6 0.272 9.225 0.906 1.00 0.00 C ATOM 96 O SER A 6 -0.744 8.566 1.006 1.00 0.00 O ATOM 97 CB SER A 6 -0.583 11.432 1.755 1.00 0.00 C ATOM 98 OG SER A 6 -0.975 12.722 1.303 1.00 0.00 O ATOM 0 H SER A 6 -1.319 10.419 -0.785 1.00 0.00 H new ATOM 0 HA SER A 6 1.252 11.086 0.623 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.462 10.840 2.009 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.016 11.518 2.662 1.00 0.00 H new ATOM 0 HG SER A 6 -1.492 13.171 2.004 1.00 0.00 H new ATOM 104 N ARG A 7 1.449 8.671 1.006 1.00 0.00 N ATOM 105 CA ARG A 7 1.565 7.204 1.245 1.00 0.00 C ATOM 106 C ARG A 7 1.380 6.895 2.733 1.00 0.00 C ATOM 107 O ARG A 7 1.900 7.581 3.591 1.00 0.00 O ATOM 108 CB ARG A 7 2.979 6.840 0.794 1.00 0.00 C ATOM 109 CG ARG A 7 2.903 5.845 -0.366 1.00 0.00 C ATOM 110 CD ARG A 7 3.779 6.337 -1.520 1.00 0.00 C ATOM 111 NE ARG A 7 4.796 5.267 -1.712 1.00 0.00 N ATOM 112 CZ ARG A 7 5.274 5.027 -2.902 1.00 0.00 C ATOM 113 NH1 ARG A 7 6.257 5.748 -3.367 1.00 0.00 N ATOM 114 NH2 ARG A 7 4.768 4.067 -3.626 1.00 0.00 N ATOM 0 H ARG A 7 2.335 9.170 0.933 1.00 0.00 H new ATOM 0 HA ARG A 7 0.807 6.636 0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.516 7.737 0.484 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.537 6.406 1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.236 4.861 -0.037 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.871 5.737 -0.699 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.191 6.490 -2.425 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.249 7.291 -1.280 1.00 0.00 H new ATOM 0 HE ARG A 7 5.119 4.721 -0.913 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.651 6.499 -2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.631 5.561 -4.297 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.999 3.505 -3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.141 3.879 -4.556 1.00 0.00 H new ATOM 128 N CYS A 8 0.642 5.865 3.047 1.00 0.00 N ATOM 129 CA CYS A 8 0.422 5.512 4.479 1.00 0.00 C ATOM 130 C CYS A 8 1.733 5.035 5.112 1.00 0.00 C ATOM 131 O CYS A 8 2.466 4.269 4.521 1.00 0.00 O ATOM 132 CB CYS A 8 -0.606 4.380 4.456 1.00 0.00 C ATOM 133 SG CYS A 8 -2.042 4.849 5.451 1.00 0.00 S ATOM 0 H CYS A 8 0.182 5.252 2.374 1.00 0.00 H new ATOM 0 HA CYS A 8 0.076 6.363 5.066 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.913 4.174 3.431 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.163 3.464 4.847 1.00 0.00 H new ATOM 0 HG CYS A 8 -3.129 4.459 4.855 1.00 0.00 H new ATOM 138 N PRO A 9 1.979 5.510 6.302 1.00 0.00 N ATOM 139 CA PRO A 9 3.212 5.132 7.035 1.00 0.00 C ATOM 140 C PRO A 9 3.115 3.689 7.536 1.00 0.00 C ATOM 141 O PRO A 9 2.044 3.122 7.616 1.00 0.00 O ATOM 142 CB PRO A 9 3.248 6.113 8.204 1.00 0.00 C ATOM 143 CG PRO A 9 1.824 6.519 8.412 1.00 0.00 C ATOM 144 CD PRO A 9 1.139 6.436 7.072 1.00 0.00 C ATOM 0 HA PRO A 9 4.109 5.179 6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.660 5.646 9.099 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.875 6.975 7.977 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.338 5.863 9.134 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.767 7.531 8.812 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.119 6.064 7.167 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.079 7.413 6.593 1.00 0.00 H new ATOM 152 N LYS A 10 4.224 3.091 7.873 1.00 0.00 N ATOM 153 CA LYS A 10 4.189 1.685 8.369 1.00 0.00 C ATOM 154 C LYS A 10 3.490 1.621 9.729 1.00 0.00 C ATOM 155 O LYS A 10 2.854 0.642 10.066 1.00 0.00 O ATOM 156 CB LYS A 10 5.656 1.274 8.501 1.00 0.00 C ATOM 157 CG LYS A 10 5.739 -0.137 9.088 1.00 0.00 C ATOM 158 CD LYS A 10 6.723 -0.146 10.260 1.00 0.00 C ATOM 159 CE LYS A 10 7.965 -0.954 9.876 1.00 0.00 C ATOM 160 NZ LYS A 10 9.074 0.038 9.842 1.00 0.00 N ATOM 0 H LYS A 10 5.151 3.513 7.827 1.00 0.00 H new ATOM 0 HA LYS A 10 3.640 1.025 7.698 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.142 1.303 7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.186 1.978 9.142 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.754 -0.461 9.424 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.063 -0.842 8.322 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.005 0.874 10.520 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.251 -0.580 11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.163 -1.743 10.602 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.838 -1.437 8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.961 -0.441 9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.861 0.773 9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.176 0.477 10.779 1.00 0.00 H new ATOM 174 N GLN A 11 3.606 2.657 10.513 1.00 0.00 N ATOM 175 CA GLN A 11 2.949 2.657 11.852 1.00 0.00 C ATOM 176 C GLN A 11 1.427 2.585 11.696 1.00 0.00 C ATOM 177 O GLN A 11 0.706 2.378 12.652 1.00 0.00 O ATOM 178 CB GLN A 11 3.359 3.984 12.492 1.00 0.00 C ATOM 179 CG GLN A 11 4.798 3.884 13.002 1.00 0.00 C ATOM 180 CD GLN A 11 4.906 4.572 14.364 1.00 0.00 C ATOM 181 OE1 GLN A 11 3.939 5.117 14.860 1.00 0.00 O ATOM 182 NE2 GLN A 11 6.048 4.573 14.992 1.00 0.00 N ATOM 0 H GLN A 11 4.127 3.504 10.285 1.00 0.00 H new ATOM 0 HA GLN A 11 3.246 1.801 12.458 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.275 4.791 11.765 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.687 4.226 13.315 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.093 2.838 13.087 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.480 4.351 12.292 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.859 4.116 14.576 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.130 5.031 15.900 1.00 0.00 H new ATOM 191 N TYR A 12 0.936 2.754 10.500 1.00 0.00 N ATOM 192 CA TYR A 12 -0.539 2.696 10.286 1.00 0.00 C ATOM 193 C TYR A 12 -0.876 1.686 9.186 1.00 0.00 C ATOM 194 O TYR A 12 -2.020 1.517 8.816 1.00 0.00 O ATOM 195 CB TYR A 12 -0.931 4.110 9.855 1.00 0.00 C ATOM 196 CG TYR A 12 -1.438 4.877 11.053 1.00 0.00 C ATOM 197 CD1 TYR A 12 -2.574 4.433 11.737 1.00 0.00 C ATOM 198 CD2 TYR A 12 -0.770 6.032 11.478 1.00 0.00 C ATOM 199 CE1 TYR A 12 -3.044 5.143 12.848 1.00 0.00 C ATOM 200 CE2 TYR A 12 -1.241 6.742 12.589 1.00 0.00 C ATOM 201 CZ TYR A 12 -2.378 6.298 13.274 1.00 0.00 C ATOM 202 OH TYR A 12 -2.842 6.999 14.370 1.00 0.00 O ATOM 0 H TYR A 12 1.490 2.930 9.662 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.074 2.379 11.181 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.072 4.621 9.419 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.701 4.067 9.084 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.089 3.542 11.408 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.107 6.375 10.950 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.921 4.799 13.377 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.727 7.633 12.918 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.264 7.774 14.531 1.00 0.00 H new ATOM 212 N LYS A 13 0.112 1.014 8.663 1.00 0.00 N ATOM 213 CA LYS A 13 -0.155 0.014 7.589 1.00 0.00 C ATOM 214 C LYS A 13 -0.419 -1.362 8.205 1.00 0.00 C ATOM 215 O LYS A 13 0.245 -2.331 7.894 1.00 0.00 O ATOM 216 CB LYS A 13 1.120 -0.015 6.745 1.00 0.00 C ATOM 217 CG LYS A 13 0.853 0.658 5.397 1.00 0.00 C ATOM 218 CD LYS A 13 2.184 1.035 4.744 1.00 0.00 C ATOM 219 CE LYS A 13 3.036 -0.222 4.556 1.00 0.00 C ATOM 220 NZ LYS A 13 4.400 0.167 5.010 1.00 0.00 N ATOM 0 H LYS A 13 1.091 1.113 8.932 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.031 0.272 6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.927 0.499 7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.445 -1.044 6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.294 -0.015 4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.240 1.548 5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.006 1.514 3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.714 1.757 5.365 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.647 -1.054 5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.043 -0.542 3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.110 -0.392 4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.553 1.178 4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.491 -0.013 6.030 1.00 0.00 H new ATOM 234 N HIS A 14 -1.390 -1.461 9.069 1.00 0.00 N ATOM 235 CA HIS A 14 -1.685 -2.777 9.698 1.00 0.00 C ATOM 236 C HIS A 14 -2.635 -3.566 8.802 1.00 0.00 C ATOM 237 O HIS A 14 -2.820 -4.755 8.967 1.00 0.00 O ATOM 238 CB HIS A 14 -2.353 -2.441 11.032 1.00 0.00 C ATOM 239 CG HIS A 14 -1.296 -2.157 12.063 1.00 0.00 C ATOM 240 ND1 HIS A 14 -1.552 -1.400 13.195 1.00 0.00 N ATOM 241 CD2 HIS A 14 0.024 -2.524 12.148 1.00 0.00 C ATOM 242 CE1 HIS A 14 -0.411 -1.336 13.906 1.00 0.00 C ATOM 243 NE2 HIS A 14 0.581 -2.004 13.313 1.00 0.00 N ATOM 0 H HIS A 14 -1.990 -0.691 9.366 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.792 -3.386 9.841 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.006 -1.576 10.917 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.979 -3.272 11.357 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.550 -3.125 11.421 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.310 -0.808 14.843 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.540 -2.110 13.643 1.00 0.00 H new ATOM 251 N TYR A 15 -3.214 -2.917 7.834 1.00 0.00 N ATOM 252 CA TYR A 15 -4.124 -3.634 6.903 1.00 0.00 C ATOM 253 C TYR A 15 -3.311 -4.167 5.719 1.00 0.00 C ATOM 254 O TYR A 15 -3.833 -4.818 4.836 1.00 0.00 O ATOM 255 CB TYR A 15 -5.142 -2.589 6.440 1.00 0.00 C ATOM 256 CG TYR A 15 -4.421 -1.364 5.932 1.00 0.00 C ATOM 257 CD1 TYR A 15 -3.659 -1.436 4.761 1.00 0.00 C ATOM 258 CD2 TYR A 15 -4.518 -0.156 6.632 1.00 0.00 C ATOM 259 CE1 TYR A 15 -2.992 -0.299 4.289 1.00 0.00 C ATOM 260 CE2 TYR A 15 -3.851 0.982 6.160 1.00 0.00 C ATOM 261 CZ TYR A 15 -3.088 0.910 4.989 1.00 0.00 C ATOM 262 OH TYR A 15 -2.430 2.031 4.524 1.00 0.00 O ATOM 0 H TYR A 15 -3.096 -1.921 7.647 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.621 -4.484 7.370 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.771 -3.005 5.653 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.801 -2.319 7.265 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.585 -2.368 4.221 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.107 -0.101 7.536 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.404 -0.354 3.385 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.926 1.915 6.700 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.481 2.742 5.196 1.00 0.00 H new ATOM 272 N CYS A 16 -2.028 -3.895 5.695 1.00 0.00 N ATOM 273 CA CYS A 16 -1.183 -4.389 4.571 1.00 0.00 C ATOM 274 C CYS A 16 0.292 -4.389 4.982 1.00 0.00 C ATOM 275 O CYS A 16 0.930 -3.357 5.041 1.00 0.00 O ATOM 276 CB CYS A 16 -1.419 -3.399 3.430 1.00 0.00 C ATOM 277 SG CYS A 16 -2.819 -3.959 2.427 1.00 0.00 S ATOM 0 H CYS A 16 -1.534 -3.354 6.405 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.435 -5.410 4.283 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.619 -2.406 3.831 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.524 -3.319 2.813 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.713 -5.236 2.208 1.00 0.00 H new ATOM 282 N ILE A 17 0.838 -5.539 5.268 1.00 0.00 N ATOM 283 CA ILE A 17 2.270 -5.602 5.675 1.00 0.00 C ATOM 284 C ILE A 17 3.171 -5.269 4.483 1.00 0.00 C ATOM 285 O ILE A 17 3.766 -4.212 4.420 1.00 0.00 O ATOM 286 CB ILE A 17 2.488 -7.044 6.132 1.00 0.00 C ATOM 287 CG1 ILE A 17 1.575 -7.343 7.322 1.00 0.00 C ATOM 288 CG2 ILE A 17 3.947 -7.233 6.550 1.00 0.00 C ATOM 289 CD1 ILE A 17 1.944 -6.427 8.491 1.00 0.00 C ATOM 0 H ILE A 17 0.355 -6.437 5.237 1.00 0.00 H new ATOM 0 HA ILE A 17 2.510 -4.887 6.462 1.00 0.00 H new ATOM 0 HB ILE A 17 2.255 -7.724 5.313 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.533 -7.191 7.042 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.676 -8.387 7.618 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.102 -8.262 6.876 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.599 -7.019 5.703 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.182 -6.554 7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.293 -6.640 9.339 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.981 -6.601 8.776 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.820 -5.386 8.191 1.00 0.00 H new ATOM 301 N LYS A 18 3.274 -6.161 3.534 1.00 0.00 N ATOM 302 CA LYS A 18 4.136 -5.886 2.347 1.00 0.00 C ATOM 303 C LYS A 18 3.312 -5.223 1.238 1.00 0.00 C ATOM 304 O LYS A 18 3.299 -5.669 0.107 1.00 0.00 O ATOM 305 CB LYS A 18 4.649 -7.255 1.894 1.00 0.00 C ATOM 306 CG LYS A 18 3.486 -8.102 1.374 1.00 0.00 C ATOM 307 CD LYS A 18 3.931 -9.561 1.261 1.00 0.00 C ATOM 308 CE LYS A 18 4.785 -9.738 0.004 1.00 0.00 C ATOM 309 NZ LYS A 18 6.175 -9.422 0.435 1.00 0.00 N ATOM 0 H LYS A 18 2.801 -7.065 3.529 1.00 0.00 H new ATOM 0 HA LYS A 18 4.956 -5.207 2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.398 -7.132 1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.137 -7.763 2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.633 -8.022 2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.160 -7.733 0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.501 -9.848 2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.060 -10.216 1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.713 -10.755 -0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.457 -9.070 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.825 -10.146 0.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.450 -8.490 0.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.222 -9.408 1.474 1.00 0.00 H new ATOM 323 N GLY A 19 2.627 -4.158 1.554 1.00 0.00 N ATOM 324 CA GLY A 19 1.808 -3.465 0.522 1.00 0.00 C ATOM 325 C GLY A 19 1.703 -1.978 0.867 1.00 0.00 C ATOM 326 O GLY A 19 1.481 -1.609 2.003 1.00 0.00 O ATOM 0 H GLY A 19 2.600 -3.738 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.261 -3.590 -0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.814 -3.909 0.473 1.00 0.00 H new ATOM 330 N ARG A 20 1.862 -1.122 -0.104 1.00 0.00 N ATOM 331 CA ARG A 20 1.771 0.342 0.171 1.00 0.00 C ATOM 332 C ARG A 20 0.390 0.870 -0.224 1.00 0.00 C ATOM 333 O ARG A 20 -0.058 0.690 -1.339 1.00 0.00 O ATOM 334 CB ARG A 20 2.856 0.977 -0.697 1.00 0.00 C ATOM 335 CG ARG A 20 4.234 0.622 -0.136 1.00 0.00 C ATOM 336 CD ARG A 20 5.096 0.013 -1.243 1.00 0.00 C ATOM 337 NE ARG A 20 6.362 -0.389 -0.569 1.00 0.00 N ATOM 338 CZ ARG A 20 7.436 0.339 -0.711 1.00 0.00 C ATOM 339 NH1 ARG A 20 8.164 0.226 -1.788 1.00 0.00 N ATOM 340 NH2 ARG A 20 7.783 1.179 0.226 1.00 0.00 N ATOM 0 H ARG A 20 2.051 -1.371 -1.075 1.00 0.00 H new ATOM 0 HA ARG A 20 1.908 0.572 1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.768 0.623 -1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.730 2.059 -0.721 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.716 1.514 0.265 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.132 -0.083 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.603 -0.845 -1.700 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.284 0.734 -2.038 1.00 0.00 H new ATOM 0 HE ARG A 20 6.390 -1.233 0.003 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.894 -0.432 -2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.003 0.795 -1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.215 1.266 1.069 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.622 1.748 0.115 1.00 0.00 H new ATOM 354 N CYS A 21 -0.287 1.520 0.683 1.00 0.00 N ATOM 355 CA CYS A 21 -1.639 2.058 0.357 1.00 0.00 C ATOM 356 C CYS A 21 -1.576 3.577 0.179 1.00 0.00 C ATOM 357 O CYS A 21 -1.113 4.296 1.043 1.00 0.00 O ATOM 358 CB CYS A 21 -2.511 1.696 1.559 1.00 0.00 C ATOM 359 SG CYS A 21 -4.085 2.584 1.456 1.00 0.00 S ATOM 0 H CYS A 21 0.036 1.702 1.633 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.033 1.646 -0.572 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.689 0.621 1.581 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.997 1.953 2.485 1.00 0.00 H new ATOM 0 HG CYS A 21 -4.242 3.050 0.253 1.00 0.00 H new ATOM 364 N ARG A 22 -2.041 4.070 -0.935 1.00 0.00 N ATOM 365 CA ARG A 22 -2.011 5.542 -1.170 1.00 0.00 C ATOM 366 C ARG A 22 -3.322 6.177 -0.702 1.00 0.00 C ATOM 367 O ARG A 22 -4.371 5.954 -1.275 1.00 0.00 O ATOM 368 CB ARG A 22 -1.848 5.700 -2.682 1.00 0.00 C ATOM 369 CG ARG A 22 -1.153 7.029 -2.985 1.00 0.00 C ATOM 370 CD ARG A 22 0.163 6.762 -3.718 1.00 0.00 C ATOM 371 NE ARG A 22 -0.238 6.370 -5.097 1.00 0.00 N ATOM 372 CZ ARG A 22 -0.341 7.277 -6.030 1.00 0.00 C ATOM 373 NH1 ARG A 22 0.707 7.967 -6.387 1.00 0.00 N ATOM 374 NH2 ARG A 22 -1.491 7.494 -6.606 1.00 0.00 N ATOM 0 H ARG A 22 -2.441 3.518 -1.694 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.207 6.032 -0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.264 4.872 -3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.823 5.668 -3.169 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.800 7.659 -3.595 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.962 7.571 -2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.796 7.649 -3.728 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.732 5.970 -3.232 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.432 5.392 -5.313 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.607 7.798 -5.937 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.627 8.676 -7.116 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.311 6.955 -6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.571 8.203 -7.335 1.00 0.00 H new ATOM 388 N PHE A 23 -3.273 6.966 0.334 1.00 0.00 N ATOM 389 CA PHE A 23 -4.517 7.615 0.838 1.00 0.00 C ATOM 390 C PHE A 23 -4.657 9.016 0.238 1.00 0.00 C ATOM 391 O PHE A 23 -3.973 9.940 0.631 1.00 0.00 O ATOM 392 CB PHE A 23 -4.335 7.695 2.355 1.00 0.00 C ATOM 393 CG PHE A 23 -5.688 7.706 3.024 1.00 0.00 C ATOM 394 CD1 PHE A 23 -6.611 8.714 2.720 1.00 0.00 C ATOM 395 CD2 PHE A 23 -6.020 6.709 3.950 1.00 0.00 C ATOM 396 CE1 PHE A 23 -7.865 8.725 3.341 1.00 0.00 C ATOM 397 CE2 PHE A 23 -7.274 6.720 4.571 1.00 0.00 C ATOM 398 CZ PHE A 23 -8.197 7.728 4.268 1.00 0.00 C ATOM 0 H PHE A 23 -2.425 7.190 0.855 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.415 7.060 0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.750 6.845 2.707 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.780 8.595 2.618 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.355 9.483 2.006 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.308 5.932 4.185 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.577 9.502 3.106 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.530 5.951 5.284 1.00 0.00 H new ATOM 0 HZ PHE A 23 -9.164 7.737 4.748 1.00 0.00 H new ATOM 408 N VAL A 24 -5.535 9.182 -0.714 1.00 0.00 N ATOM 409 CA VAL A 24 -5.709 10.526 -1.334 1.00 0.00 C ATOM 410 C VAL A 24 -6.590 11.409 -0.447 1.00 0.00 C ATOM 411 O VAL A 24 -7.758 11.134 -0.244 1.00 0.00 O ATOM 412 CB VAL A 24 -6.392 10.262 -2.676 1.00 0.00 C ATOM 413 CG1 VAL A 24 -6.437 11.558 -3.488 1.00 0.00 C ATOM 414 CG2 VAL A 24 -5.600 9.206 -3.448 1.00 0.00 C ATOM 0 H VAL A 24 -6.137 8.448 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.760 11.048 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.407 9.905 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.924 11.371 -4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.998 12.313 -2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.422 11.914 -3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.085 9.016 -4.406 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.586 9.566 -3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.564 8.283 -2.869 1.00 0.00 H new ATOM 424 N VAL A 25 -6.034 12.469 0.082 1.00 0.00 N ATOM 425 CA VAL A 25 -6.831 13.377 0.957 1.00 0.00 C ATOM 426 C VAL A 25 -7.723 14.283 0.106 1.00 0.00 C ATOM 427 O VAL A 25 -8.934 14.233 0.197 1.00 0.00 O ATOM 428 CB VAL A 25 -5.793 14.203 1.718 1.00 0.00 C ATOM 429 CG1 VAL A 25 -6.496 15.065 2.768 1.00 0.00 C ATOM 430 CG2 VAL A 25 -4.806 13.261 2.411 1.00 0.00 C ATOM 0 H VAL A 25 -5.061 12.744 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.490 12.830 1.631 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.257 14.847 1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.756 15.654 3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.202 15.734 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.032 14.423 3.467 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.065 13.847 2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.344 12.619 3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.305 12.645 1.664 1.00 0.00 H new ATOM 440 N ALA A 26 -7.137 15.108 -0.725 1.00 0.00 N ATOM 441 CA ALA A 26 -7.960 16.006 -1.586 1.00 0.00 C ATOM 442 C ALA A 26 -9.145 15.221 -2.146 1.00 0.00 C ATOM 443 O ALA A 26 -10.272 15.676 -2.136 1.00 0.00 O ATOM 444 CB ALA A 26 -7.025 16.448 -2.711 1.00 0.00 C ATOM 0 H ALA A 26 -6.128 15.197 -0.843 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.361 16.861 -1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.560 17.114 -3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.169 16.973 -2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.678 15.573 -3.261 1.00 0.00 H new ATOM 450 N GLU A 27 -8.894 14.032 -2.614 1.00 0.00 N ATOM 451 CA GLU A 27 -9.991 13.187 -3.155 1.00 0.00 C ATOM 452 C GLU A 27 -10.144 11.947 -2.274 1.00 0.00 C ATOM 453 O GLU A 27 -9.499 10.944 -2.494 1.00 0.00 O ATOM 454 CB GLU A 27 -9.541 12.800 -4.564 1.00 0.00 C ATOM 455 CG GLU A 27 -10.477 13.436 -5.594 1.00 0.00 C ATOM 456 CD GLU A 27 -9.649 14.092 -6.701 1.00 0.00 C ATOM 457 OE1 GLU A 27 -9.322 15.259 -6.556 1.00 0.00 O ATOM 458 OE2 GLU A 27 -9.357 13.417 -7.674 1.00 0.00 O ATOM 0 H GLU A 27 -7.968 13.606 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.953 13.699 -3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.517 13.133 -4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.546 11.716 -4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.136 12.679 -6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.113 14.179 -5.113 1.00 0.00 H new ATOM 465 N GLN A 28 -10.978 12.024 -1.266 1.00 0.00 N ATOM 466 CA GLN A 28 -11.174 10.862 -0.341 1.00 0.00 C ATOM 467 C GLN A 28 -11.074 9.535 -1.098 1.00 0.00 C ATOM 468 O GLN A 28 -12.053 9.025 -1.606 1.00 0.00 O ATOM 469 CB GLN A 28 -12.581 11.047 0.227 1.00 0.00 C ATOM 470 CG GLN A 28 -12.492 11.552 1.669 1.00 0.00 C ATOM 471 CD GLN A 28 -12.307 10.365 2.617 1.00 0.00 C ATOM 472 OE1 GLN A 28 -11.448 10.387 3.477 1.00 0.00 O ATOM 473 NE2 GLN A 28 -13.081 9.320 2.496 1.00 0.00 N ATOM 0 H GLN A 28 -11.536 12.848 -1.042 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.412 10.831 0.438 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.140 11.757 -0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.124 10.102 0.195 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.658 12.246 1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.397 12.101 1.929 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.802 9.300 1.775 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.964 8.524 3.123 1.00 0.00 H new ATOM 482 N THR A 29 -9.898 8.973 -1.179 1.00 0.00 N ATOM 483 CA THR A 29 -9.743 7.681 -1.907 1.00 0.00 C ATOM 484 C THR A 29 -8.595 6.858 -1.311 1.00 0.00 C ATOM 485 O THR A 29 -7.487 6.884 -1.812 1.00 0.00 O ATOM 486 CB THR A 29 -9.430 8.076 -3.351 1.00 0.00 C ATOM 487 OG1 THR A 29 -10.570 8.698 -3.927 1.00 0.00 O ATOM 488 CG2 THR A 29 -9.067 6.828 -4.159 1.00 0.00 C ATOM 0 H THR A 29 -9.041 9.351 -0.774 1.00 0.00 H new ATOM 0 HA THR A 29 -10.637 7.062 -1.836 1.00 0.00 H new ATOM 0 HB THR A 29 -8.590 8.770 -3.363 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.561 9.655 -3.718 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.844 7.112 -5.187 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.192 6.350 -3.717 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.905 6.131 -4.149 1.00 0.00 H new ATOM 496 N PRO A 30 -8.906 6.148 -0.262 1.00 0.00 N ATOM 497 CA PRO A 30 -7.897 5.296 0.407 1.00 0.00 C ATOM 498 C PRO A 30 -7.742 3.974 -0.353 1.00 0.00 C ATOM 499 O PRO A 30 -8.543 3.071 -0.211 1.00 0.00 O ATOM 500 CB PRO A 30 -8.497 5.054 1.788 1.00 0.00 C ATOM 501 CG PRO A 30 -9.978 5.213 1.613 1.00 0.00 C ATOM 502 CD PRO A 30 -10.212 6.081 0.400 1.00 0.00 C ATOM 0 HA PRO A 30 -6.907 5.749 0.450 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.250 4.058 2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.109 5.767 2.515 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.453 4.241 1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.420 5.669 2.499 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -10.968 5.650 -0.256 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -10.564 7.073 0.684 1.00 0.00 H new ATOM 510 N SER A 31 -6.725 3.852 -1.162 1.00 0.00 N ATOM 511 CA SER A 31 -6.536 2.585 -1.928 1.00 0.00 C ATOM 512 C SER A 31 -5.290 1.843 -1.436 1.00 0.00 C ATOM 513 O SER A 31 -4.232 2.420 -1.278 1.00 0.00 O ATOM 514 CB SER A 31 -6.359 3.026 -3.380 1.00 0.00 C ATOM 515 OG SER A 31 -5.709 4.289 -3.411 1.00 0.00 O ATOM 0 H SER A 31 -6.020 4.570 -1.326 1.00 0.00 H new ATOM 0 HA SER A 31 -7.376 1.902 -1.807 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.772 2.288 -3.927 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.329 3.091 -3.873 1.00 0.00 H new ATOM 0 HG SER A 31 -5.592 4.574 -4.341 1.00 0.00 H new ATOM 521 N CYS A 32 -5.408 0.565 -1.196 1.00 0.00 N ATOM 522 CA CYS A 32 -4.232 -0.216 -0.717 1.00 0.00 C ATOM 523 C CYS A 32 -3.670 -1.076 -1.852 1.00 0.00 C ATOM 524 O CYS A 32 -4.396 -1.771 -2.534 1.00 0.00 O ATOM 525 CB CYS A 32 -4.773 -1.101 0.406 1.00 0.00 C ATOM 526 SG CYS A 32 -6.026 -2.223 -0.261 1.00 0.00 S ATOM 0 H CYS A 32 -6.268 0.028 -1.311 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.422 0.428 -0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.961 -1.672 0.857 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.205 -0.484 1.194 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.747 -2.497 -1.501 1.00 0.00 H new ATOM 531 N VAL A 33 -2.382 -1.034 -2.059 1.00 0.00 N ATOM 532 CA VAL A 33 -1.778 -1.852 -3.150 1.00 0.00 C ATOM 533 C VAL A 33 -0.693 -2.772 -2.584 1.00 0.00 C ATOM 534 O VAL A 33 0.308 -2.321 -2.062 1.00 0.00 O ATOM 535 CB VAL A 33 -1.172 -0.836 -4.117 1.00 0.00 C ATOM 536 CG1 VAL A 33 -0.205 -1.547 -5.065 1.00 0.00 C ATOM 537 CG2 VAL A 33 -2.291 -0.178 -4.930 1.00 0.00 C ATOM 0 H VAL A 33 -1.723 -0.470 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.511 -2.493 -3.640 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.633 -0.074 -3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.227 -0.822 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.591 -2.018 -4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.743 -2.309 -5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.861 0.547 -5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.828 -0.941 -5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.981 0.329 -4.255 1.00 0.00 H new ATOM 547 N CYS A 34 -0.885 -4.059 -2.683 1.00 0.00 N ATOM 548 CA CYS A 34 0.133 -5.011 -2.152 1.00 0.00 C ATOM 549 C CYS A 34 1.099 -5.425 -3.266 1.00 0.00 C ATOM 550 O CYS A 34 0.772 -5.370 -4.435 1.00 0.00 O ATOM 551 CB CYS A 34 -0.668 -6.217 -1.660 1.00 0.00 C ATOM 552 SG CYS A 34 -2.058 -5.650 -0.648 1.00 0.00 S ATOM 0 H CYS A 34 -1.704 -4.493 -3.109 1.00 0.00 H new ATOM 0 HA CYS A 34 0.734 -4.571 -1.356 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.035 -6.794 -2.509 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.027 -6.879 -1.078 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.690 -5.586 0.597 1.00 0.00 H new ATOM 557 N ASP A 35 2.285 -5.843 -2.914 1.00 0.00 N ATOM 558 CA ASP A 35 3.265 -6.261 -3.958 1.00 0.00 C ATOM 559 C ASP A 35 2.616 -7.254 -4.926 1.00 0.00 C ATOM 560 O ASP A 35 2.102 -8.279 -4.527 1.00 0.00 O ATOM 561 CB ASP A 35 4.404 -6.929 -3.187 1.00 0.00 C ATOM 562 CG ASP A 35 5.615 -5.995 -3.154 1.00 0.00 C ATOM 563 OD1 ASP A 35 5.490 -4.915 -2.599 1.00 0.00 O ATOM 564 OD2 ASP A 35 6.647 -6.375 -3.683 1.00 0.00 O ATOM 0 H ASP A 35 2.617 -5.913 -1.952 1.00 0.00 H new ATOM 0 HA ASP A 35 3.616 -5.420 -4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.083 -7.161 -2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.673 -7.873 -3.660 1.00 0.00 H new ATOM 569 N GLU A 36 2.635 -6.957 -6.197 1.00 0.00 N ATOM 570 CA GLU A 36 2.017 -7.886 -7.186 1.00 0.00 C ATOM 571 C GLU A 36 2.438 -9.328 -6.889 1.00 0.00 C ATOM 572 O GLU A 36 1.648 -10.247 -6.975 1.00 0.00 O ATOM 573 CB GLU A 36 2.559 -7.438 -8.544 1.00 0.00 C ATOM 574 CG GLU A 36 1.726 -6.267 -9.068 1.00 0.00 C ATOM 575 CD GLU A 36 1.267 -6.566 -10.496 1.00 0.00 C ATOM 576 OE1 GLU A 36 2.021 -7.194 -11.221 1.00 0.00 O ATOM 577 OE2 GLU A 36 0.167 -6.163 -10.841 1.00 0.00 O ATOM 0 H GLU A 36 3.050 -6.114 -6.593 1.00 0.00 H new ATOM 0 HA GLU A 36 0.928 -7.859 -7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.604 -7.141 -8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.526 -8.267 -9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.862 -6.104 -8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.315 -5.350 -9.049 1.00 0.00 H new ATOM 584 N GLY A 37 3.680 -9.532 -6.543 1.00 0.00 N ATOM 585 CA GLY A 37 4.152 -10.913 -6.243 1.00 0.00 C ATOM 586 C GLY A 37 3.964 -11.212 -4.754 1.00 0.00 C ATOM 587 O GLY A 37 4.849 -11.727 -4.101 1.00 0.00 O ATOM 0 H GLY A 37 4.387 -8.802 -6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.597 -11.635 -6.841 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.203 -11.015 -6.514 1.00 0.00 H new ATOM 591 N TYR A 38 2.820 -10.895 -4.210 1.00 0.00 N ATOM 592 CA TYR A 38 2.586 -11.168 -2.762 1.00 0.00 C ATOM 593 C TYR A 38 1.380 -12.100 -2.583 1.00 0.00 C ATOM 594 O TYR A 38 0.614 -12.322 -3.500 1.00 0.00 O ATOM 595 CB TYR A 38 2.338 -9.786 -2.128 1.00 0.00 C ATOM 596 CG TYR A 38 0.856 -9.476 -2.068 1.00 0.00 C ATOM 597 CD1 TYR A 38 0.086 -9.472 -3.238 1.00 0.00 C ATOM 598 CD2 TYR A 38 0.254 -9.193 -0.835 1.00 0.00 C ATOM 599 CE1 TYR A 38 -1.284 -9.188 -3.174 1.00 0.00 C ATOM 600 CE2 TYR A 38 -1.115 -8.909 -0.772 1.00 0.00 C ATOM 601 CZ TYR A 38 -1.884 -8.906 -1.942 1.00 0.00 C ATOM 602 OH TYR A 38 -3.235 -8.626 -1.880 1.00 0.00 O ATOM 0 H TYR A 38 2.040 -10.460 -4.703 1.00 0.00 H new ATOM 0 HA TYR A 38 3.429 -11.672 -2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.760 -9.762 -1.123 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.851 -9.018 -2.707 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.549 -9.688 -4.190 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.847 -9.194 0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.878 -9.187 -4.076 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.578 -8.692 0.179 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.365 -7.711 -1.553 1.00 0.00 H new ATOM 612 N ILE A 39 1.208 -12.645 -1.410 1.00 0.00 N ATOM 613 CA ILE A 39 0.052 -13.559 -1.174 1.00 0.00 C ATOM 614 C ILE A 39 -0.448 -13.417 0.267 1.00 0.00 C ATOM 615 O ILE A 39 0.305 -13.107 1.169 1.00 0.00 O ATOM 616 CB ILE A 39 0.598 -14.967 -1.415 1.00 0.00 C ATOM 617 CG1 ILE A 39 1.448 -14.974 -2.688 1.00 0.00 C ATOM 618 CG2 ILE A 39 -0.566 -15.945 -1.575 1.00 0.00 C ATOM 619 CD1 ILE A 39 1.896 -16.404 -2.994 1.00 0.00 C ATOM 0 H ILE A 39 1.817 -12.498 -0.605 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.790 -13.333 -1.828 1.00 0.00 H new ATOM 0 HB ILE A 39 1.212 -15.268 -0.566 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.874 -14.575 -3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.317 -14.328 -2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.177 -16.949 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.172 -15.941 -0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.180 -15.644 -2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.501 -16.410 -3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.486 -16.786 -2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.020 -17.037 -3.139 1.00 0.00 H new ATOM 631 N GLY A 40 -1.715 -13.641 0.488 1.00 0.00 N ATOM 632 CA GLY A 40 -2.263 -13.518 1.868 1.00 0.00 C ATOM 633 C GLY A 40 -3.240 -12.344 1.928 1.00 0.00 C ATOM 634 O GLY A 40 -3.056 -11.338 1.272 1.00 0.00 O ATOM 0 H GLY A 40 -2.393 -13.904 -0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.769 -14.440 2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.452 -13.366 2.580 1.00 0.00 H new ATOM 638 N ALA A 41 -4.280 -12.462 2.709 1.00 0.00 N ATOM 639 CA ALA A 41 -5.266 -11.349 2.807 1.00 0.00 C ATOM 640 C ALA A 41 -4.660 -10.170 3.573 1.00 0.00 C ATOM 641 O ALA A 41 -5.158 -9.063 3.526 1.00 0.00 O ATOM 642 CB ALA A 41 -6.452 -11.934 3.574 1.00 0.00 C ATOM 0 H ALA A 41 -4.489 -13.280 3.282 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.561 -10.973 1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.223 -11.172 3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.858 -12.783 3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.121 -12.265 4.558 1.00 0.00 H new ATOM 648 N ARG A 42 -3.584 -10.398 4.275 1.00 0.00 N ATOM 649 CA ARG A 42 -2.946 -9.289 5.039 1.00 0.00 C ATOM 650 C ARG A 42 -1.579 -8.954 4.437 1.00 0.00 C ATOM 651 O ARG A 42 -0.840 -8.145 4.962 1.00 0.00 O ATOM 652 CB ARG A 42 -2.794 -9.824 6.463 1.00 0.00 C ATOM 653 CG ARG A 42 -3.997 -9.384 7.302 1.00 0.00 C ATOM 654 CD ARG A 42 -3.791 -7.944 7.777 1.00 0.00 C ATOM 655 NE ARG A 42 -5.101 -7.541 8.360 1.00 0.00 N ATOM 656 CZ ARG A 42 -5.229 -7.421 9.653 1.00 0.00 C ATOM 657 NH1 ARG A 42 -5.286 -8.485 10.406 1.00 0.00 N ATOM 658 NH2 ARG A 42 -5.300 -6.235 10.194 1.00 0.00 N ATOM 0 H ARG A 42 -3.120 -11.303 4.353 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.536 -8.373 5.012 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.724 -10.912 6.449 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.871 -9.451 6.907 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.911 -9.456 6.712 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.118 -10.047 8.159 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.994 -7.883 8.518 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.509 -7.292 6.950 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.897 -7.359 7.749 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.230 -9.412 9.984 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.386 -8.390 11.417 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.255 -5.403 9.606 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.400 -6.141 11.205 1.00 0.00 H new ATOM 672 N CYS A 43 -1.240 -9.568 3.335 1.00 0.00 N ATOM 673 CA CYS A 43 0.077 -9.283 2.691 1.00 0.00 C ATOM 674 C CYS A 43 1.217 -9.812 3.566 1.00 0.00 C ATOM 675 O CYS A 43 2.202 -9.137 3.790 1.00 0.00 O ATOM 676 CB CYS A 43 0.159 -7.756 2.575 1.00 0.00 C ATOM 677 SG CYS A 43 -1.450 -7.075 2.094 1.00 0.00 S ATOM 0 H CYS A 43 -1.818 -10.255 2.852 1.00 0.00 H new ATOM 0 HA CYS A 43 0.165 -9.765 1.718 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.473 -7.328 3.527 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.913 -7.480 1.838 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.573 -7.124 0.801 1.00 0.00 H new ATOM 682 N GLU A 44 1.090 -11.011 4.066 1.00 0.00 N ATOM 683 CA GLU A 44 2.168 -11.576 4.931 1.00 0.00 C ATOM 684 C GLU A 44 3.035 -12.560 4.141 1.00 0.00 C ATOM 685 O GLU A 44 4.222 -12.679 4.373 1.00 0.00 O ATOM 686 CB GLU A 44 1.429 -12.303 6.055 1.00 0.00 C ATOM 687 CG GLU A 44 2.120 -12.020 7.391 1.00 0.00 C ATOM 688 CD GLU A 44 1.349 -12.707 8.519 1.00 0.00 C ATOM 689 OE1 GLU A 44 0.389 -13.398 8.220 1.00 0.00 O ATOM 690 OE2 GLU A 44 1.731 -12.530 9.664 1.00 0.00 O ATOM 0 H GLU A 44 0.289 -11.624 3.914 1.00 0.00 H new ATOM 0 HA GLU A 44 2.837 -10.802 5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.391 -11.973 6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.416 -13.376 5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.148 -12.382 7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.165 -10.946 7.569 1.00 0.00 H new ATOM 697 N ARG A 45 2.453 -13.271 3.214 1.00 0.00 N ATOM 698 CA ARG A 45 3.251 -14.249 2.420 1.00 0.00 C ATOM 699 C ARG A 45 3.907 -13.555 1.223 1.00 0.00 C ATOM 700 O ARG A 45 3.406 -12.575 0.708 1.00 0.00 O ATOM 701 CB ARG A 45 2.237 -15.291 1.946 1.00 0.00 C ATOM 702 CG ARG A 45 2.976 -16.466 1.301 1.00 0.00 C ATOM 703 CD ARG A 45 3.991 -17.038 2.292 1.00 0.00 C ATOM 704 NE ARG A 45 3.800 -18.513 2.229 1.00 0.00 N ATOM 705 CZ ARG A 45 4.617 -19.249 1.526 1.00 0.00 C ATOM 706 NH1 ARG A 45 5.844 -19.430 1.931 1.00 0.00 N ATOM 707 NH2 ARG A 45 4.207 -19.802 0.418 1.00 0.00 N ATOM 0 H ARG A 45 1.463 -13.218 2.972 1.00 0.00 H new ATOM 0 HA ARG A 45 4.055 -14.696 3.004 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.639 -15.641 2.787 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.548 -14.844 1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.265 -17.238 1.006 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.483 -16.136 0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.009 -16.760 2.019 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.816 -16.660 3.299 1.00 0.00 H new ATOM 0 HE ARG A 45 3.030 -18.949 2.736 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.164 -18.996 2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.483 -20.005 1.382 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.248 -19.659 0.101 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.845 -20.377 -0.132 1.00 0.00 H new ATOM 721 N VAL A 46 5.026 -14.057 0.778 1.00 0.00 N ATOM 722 CA VAL A 46 5.717 -13.430 -0.386 1.00 0.00 C ATOM 723 C VAL A 46 6.052 -14.495 -1.433 1.00 0.00 C ATOM 724 O VAL A 46 6.371 -15.620 -1.107 1.00 0.00 O ATOM 725 CB VAL A 46 6.994 -12.821 0.191 1.00 0.00 C ATOM 726 CG1 VAL A 46 7.723 -13.866 1.039 1.00 0.00 C ATOM 727 CG2 VAL A 46 7.904 -12.370 -0.954 1.00 0.00 C ATOM 0 H VAL A 46 5.493 -14.875 1.170 1.00 0.00 H new ATOM 0 HA VAL A 46 5.099 -12.681 -0.881 1.00 0.00 H new ATOM 0 HB VAL A 46 6.738 -11.964 0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.634 -13.430 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.076 -14.189 1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.980 -14.724 0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.816 -11.935 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.159 -13.228 -1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.386 -11.625 -1.558 1.00 0.00 H new ATOM 737 N ASP A 47 5.980 -14.149 -2.689 1.00 0.00 N ATOM 738 CA ASP A 47 6.293 -15.146 -3.754 1.00 0.00 C ATOM 739 C ASP A 47 7.277 -14.551 -4.764 1.00 0.00 C ATOM 740 O ASP A 47 7.020 -14.522 -5.952 1.00 0.00 O ATOM 741 CB ASP A 47 4.950 -15.441 -4.424 1.00 0.00 C ATOM 742 CG ASP A 47 4.810 -16.949 -4.643 1.00 0.00 C ATOM 743 OD1 ASP A 47 5.724 -17.669 -4.275 1.00 0.00 O ATOM 744 OD2 ASP A 47 3.791 -17.357 -5.175 1.00 0.00 O ATOM 0 H ASP A 47 5.719 -13.222 -3.024 1.00 0.00 H new ATOM 0 HA ASP A 47 6.757 -16.047 -3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.133 -15.076 -3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.884 -14.917 -5.377 1.00 0.00 H new ATOM 749 N LEU A 48 8.401 -14.076 -4.304 1.00 0.00 N ATOM 750 CA LEU A 48 9.399 -13.485 -5.241 1.00 0.00 C ATOM 751 C LEU A 48 10.801 -14.008 -4.919 1.00 0.00 C ATOM 752 O LEU A 48 11.197 -14.085 -3.773 1.00 0.00 O ATOM 753 CB LEU A 48 9.320 -11.977 -5.003 1.00 0.00 C ATOM 754 CG LEU A 48 7.987 -11.447 -5.531 1.00 0.00 C ATOM 755 CD1 LEU A 48 7.557 -10.233 -4.705 1.00 0.00 C ATOM 756 CD2 LEU A 48 8.149 -11.034 -6.996 1.00 0.00 C ATOM 0 H LEU A 48 8.672 -14.071 -3.321 1.00 0.00 H new ATOM 0 HA LEU A 48 9.195 -13.744 -6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.414 -11.761 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.147 -11.475 -5.504 1.00 0.00 H new ATOM 0 HG LEU A 48 7.229 -12.226 -5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.606 -9.855 -5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.444 -10.525 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.314 -9.453 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.199 -10.656 -7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.907 -10.254 -7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.456 -11.898 -7.586 1.00 0.00 H new ATOM 768 N PHE A 49 11.554 -14.368 -5.921 1.00 0.00 N ATOM 769 CA PHE A 49 12.930 -14.886 -5.670 1.00 0.00 C ATOM 770 C PHE A 49 13.935 -13.731 -5.658 1.00 0.00 C ATOM 771 O PHE A 49 15.086 -13.894 -6.011 1.00 0.00 O ATOM 772 CB PHE A 49 13.214 -15.833 -6.836 1.00 0.00 C ATOM 773 CG PHE A 49 12.112 -16.860 -6.930 1.00 0.00 C ATOM 774 CD1 PHE A 49 12.216 -18.065 -6.223 1.00 0.00 C ATOM 775 CD2 PHE A 49 10.986 -16.608 -7.723 1.00 0.00 C ATOM 776 CE1 PHE A 49 11.194 -19.017 -6.310 1.00 0.00 C ATOM 777 CE2 PHE A 49 9.964 -17.562 -7.809 1.00 0.00 C ATOM 778 CZ PHE A 49 10.068 -18.767 -7.103 1.00 0.00 C ATOM 0 H PHE A 49 11.277 -14.326 -6.902 1.00 0.00 H new ATOM 0 HA PHE A 49 13.014 -15.389 -4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 49 13.282 -15.270 -7.767 1.00 0.00 H new ATOM 0 HB3 PHE A 49 14.175 -16.327 -6.691 1.00 0.00 H new ATOM 0 HD1 PHE A 49 13.085 -18.259 -5.611 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.906 -15.679 -8.268 1.00 0.00 H new ATOM 0 HE1 PHE A 49 11.274 -19.946 -5.765 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.095 -17.368 -8.420 1.00 0.00 H new ATOM 0 HZ PHE A 49 9.280 -19.503 -7.170 1.00 0.00 H new ATOM 788 N TYR A 50 13.509 -12.566 -5.253 1.00 0.00 N ATOM 789 CA TYR A 50 14.441 -11.402 -5.217 1.00 0.00 C ATOM 790 C TYR A 50 15.732 -11.781 -4.486 1.00 0.00 C ATOM 791 O TYR A 50 15.680 -12.678 -3.660 1.00 0.00 O ATOM 792 CB TYR A 50 13.688 -10.318 -4.447 1.00 0.00 C ATOM 793 CG TYR A 50 13.417 -10.798 -3.042 1.00 0.00 C ATOM 794 CD1 TYR A 50 14.452 -10.828 -2.099 1.00 0.00 C ATOM 795 CD2 TYR A 50 12.130 -11.215 -2.681 1.00 0.00 C ATOM 796 CE1 TYR A 50 14.200 -11.275 -0.798 1.00 0.00 C ATOM 797 CE2 TYR A 50 11.878 -11.662 -1.379 1.00 0.00 C ATOM 798 CZ TYR A 50 12.914 -11.692 -0.437 1.00 0.00 C ATOM 799 OH TYR A 50 12.665 -12.133 0.846 1.00 0.00 O ATOM 800 OXT TYR A 50 16.748 -11.168 -4.765 1.00 0.00 O ATOM 0 H TYR A 50 12.557 -12.369 -4.946 1.00 0.00 H new ATOM 0 HA TYR A 50 14.727 -11.070 -6.215 1.00 0.00 H new ATOM 0 HB2 TYR A 50 14.275 -9.400 -4.423 1.00 0.00 H new ATOM 0 HB3 TYR A 50 12.750 -10.084 -4.950 1.00 0.00 H new ATOM 0 HD1 TYR A 50 15.445 -10.506 -2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.331 -11.192 -3.408 1.00 0.00 H new ATOM 0 HE1 TYR A 50 14.999 -11.298 -0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.885 -11.984 -1.101 1.00 0.00 H new ATOM 0 HH TYR A 50 11.721 -12.384 0.928 1.00 0.00 H new TER 810 TYR A 50