USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ILE N :NH3+ -166:sc= -0.196 (180deg=-0.712) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= -0.11 (180deg=-0.462) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 18:sc= -2.78! USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= -0.0405 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.395 USER MOD Single : A 40 TYR OH : rot -130:sc= -2.12 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.699 F(o=-1.7,f=-0.7) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0.42) USER MOD Single : A 49 SER OG : rot 180:sc= -0.145 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 10.225 -1.780 9.631 1.00 0.00 N ATOM 2 CA ILE A 1 8.815 -1.622 10.072 1.00 0.00 C ATOM 3 C ILE A 1 7.884 -1.430 8.879 1.00 0.00 C ATOM 4 O ILE A 1 8.196 -0.681 7.953 1.00 0.00 O ATOM 5 CB ILE A 1 8.655 -0.415 11.015 1.00 0.00 C ATOM 6 CG1 ILE A 1 9.744 -0.430 12.090 1.00 0.00 C ATOM 7 CG2 ILE A 1 7.274 -0.421 11.653 1.00 0.00 C ATOM 8 CD1 ILE A 1 9.654 0.730 13.059 1.00 0.00 C ATOM 0 H1 ILE A 1 10.797 -2.141 10.421 1.00 0.00 H new ATOM 0 H2 ILE A 1 10.267 -2.451 8.838 1.00 0.00 H new ATOM 0 H3 ILE A 1 10.599 -0.859 9.326 1.00 0.00 H new ATOM 0 HA ILE A 1 8.548 -2.536 10.603 1.00 0.00 H new ATOM 0 HB ILE A 1 8.761 0.499 10.431 1.00 0.00 H new ATOM 0 HG12 ILE A 1 9.680 -1.364 12.648 1.00 0.00 H new ATOM 0 HG13 ILE A 1 10.721 -0.414 11.606 1.00 0.00 H new ATOM 0 HG21 ILE A 1 7.176 0.438 12.317 1.00 0.00 H new ATOM 0 HG22 ILE A 1 6.513 -0.366 10.874 1.00 0.00 H new ATOM 0 HG23 ILE A 1 7.142 -1.339 12.226 1.00 0.00 H new ATOM 0 HD11 ILE A 1 10.457 0.654 13.793 1.00 0.00 H new ATOM 0 HD12 ILE A 1 9.749 1.669 12.513 1.00 0.00 H new ATOM 0 HD13 ILE A 1 8.692 0.703 13.570 1.00 0.00 H new ATOM 22 N PRO A 2 6.719 -2.102 8.883 1.00 0.00 N ATOM 23 CA PRO A 2 5.748 -1.995 7.801 1.00 0.00 C ATOM 24 C PRO A 2 4.830 -0.790 7.975 1.00 0.00 C ATOM 25 O PRO A 2 5.105 0.098 8.781 1.00 0.00 O ATOM 26 CB PRO A 2 4.963 -3.296 7.927 1.00 0.00 C ATOM 27 CG PRO A 2 4.975 -3.601 9.388 1.00 0.00 C ATOM 28 CD PRO A 2 6.253 -3.017 9.943 1.00 0.00 C ATOM 0 HA PRO A 2 6.216 -1.853 6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.945 -3.183 7.554 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.427 -4.097 7.351 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.105 -3.167 9.881 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.935 -4.677 9.559 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.076 -2.486 10.878 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.989 -3.794 10.152 1.00 0.00 H new ATOM 36 N ALA A 3 3.740 -0.764 7.216 1.00 0.00 N ATOM 37 CA ALA A 3 2.789 0.330 7.289 1.00 0.00 C ATOM 38 C ALA A 3 1.467 -0.122 7.900 1.00 0.00 C ATOM 39 O ALA A 3 1.192 -1.318 7.995 1.00 0.00 O ATOM 40 CB ALA A 3 2.558 0.929 5.911 1.00 0.00 C ATOM 0 H ALA A 3 3.496 -1.491 6.543 1.00 0.00 H new ATOM 0 HA ALA A 3 3.213 1.096 7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.842 1.748 5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.501 1.306 5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.165 0.163 5.243 1.00 0.00 H new ATOM 46 N PHE A 4 0.650 0.844 8.313 1.00 0.00 N ATOM 47 CA PHE A 4 -0.642 0.553 8.912 1.00 0.00 C ATOM 48 C PHE A 4 -1.780 1.008 8.003 1.00 0.00 C ATOM 49 O PHE A 4 -1.931 2.199 7.733 1.00 0.00 O ATOM 50 CB PHE A 4 -0.762 1.230 10.272 1.00 0.00 C ATOM 51 CG PHE A 4 -1.870 0.677 11.122 1.00 0.00 C ATOM 52 CD1 PHE A 4 -3.146 1.213 11.053 1.00 0.00 C ATOM 53 CD2 PHE A 4 -1.635 -0.377 11.988 1.00 0.00 C ATOM 54 CE1 PHE A 4 -4.168 0.707 11.833 1.00 0.00 C ATOM 55 CE2 PHE A 4 -2.653 -0.888 12.772 1.00 0.00 C ATOM 56 CZ PHE A 4 -3.921 -0.345 12.694 1.00 0.00 C ATOM 0 H PHE A 4 0.865 1.839 8.242 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.716 -0.526 9.044 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.182 1.124 10.806 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.927 2.297 10.124 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.344 2.036 10.382 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.646 -0.805 12.052 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.158 1.133 11.770 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.457 -1.710 13.444 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.718 -0.742 13.305 1.00 0.00 H new ATOM 66 N VAL A 5 -2.578 0.054 7.536 1.00 0.00 N ATOM 67 CA VAL A 5 -3.703 0.358 6.658 1.00 0.00 C ATOM 68 C VAL A 5 -4.928 0.784 7.462 1.00 0.00 C ATOM 69 O VAL A 5 -5.186 0.254 8.543 1.00 0.00 O ATOM 70 CB VAL A 5 -4.069 -0.857 5.783 1.00 0.00 C ATOM 71 CG1 VAL A 5 -5.125 -0.483 4.753 1.00 0.00 C ATOM 72 CG2 VAL A 5 -2.828 -1.416 5.106 1.00 0.00 C ATOM 0 H VAL A 5 -2.467 -0.937 7.751 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.394 1.181 6.014 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.487 -1.631 6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.367 -1.356 4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.023 -0.134 5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.742 0.310 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.104 -2.273 4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.380 -0.648 4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.110 -1.728 5.864 1.00 0.00 H new ATOM 82 N LYS A 6 -5.677 1.749 6.933 1.00 0.00 N ATOM 83 CA LYS A 6 -6.869 2.247 7.610 1.00 0.00 C ATOM 84 C LYS A 6 -8.139 1.809 6.891 1.00 0.00 C ATOM 85 O LYS A 6 -8.915 1.003 7.406 1.00 0.00 O ATOM 86 CB LYS A 6 -6.835 3.778 7.709 1.00 0.00 C ATOM 87 CG LYS A 6 -5.455 4.351 8.003 1.00 0.00 C ATOM 88 CD LYS A 6 -5.210 5.633 7.221 1.00 0.00 C ATOM 89 CE LYS A 6 -3.818 6.186 7.478 1.00 0.00 C ATOM 90 NZ LYS A 6 -3.589 7.471 6.763 1.00 0.00 N ATOM 0 H LYS A 6 -5.479 2.200 6.040 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.876 1.822 8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.200 4.200 6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.523 4.096 8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.362 4.550 9.071 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.692 3.616 7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.335 5.440 6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.955 6.378 7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.680 6.337 8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.073 5.456 7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.628 7.814 6.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.696 7.322 5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.283 8.176 7.085 1.00 0.00 H new ATOM 104 N PHE A 7 -8.348 2.359 5.705 1.00 0.00 N ATOM 105 CA PHE A 7 -9.526 2.047 4.908 1.00 0.00 C ATOM 106 C PHE A 7 -9.271 0.871 3.971 1.00 0.00 C ATOM 107 O PHE A 7 -8.129 0.572 3.627 1.00 0.00 O ATOM 108 CB PHE A 7 -9.958 3.276 4.103 1.00 0.00 C ATOM 109 CG PHE A 7 -11.213 3.920 4.620 1.00 0.00 C ATOM 110 CD1 PHE A 7 -11.171 4.770 5.714 1.00 0.00 C ATOM 111 CD2 PHE A 7 -12.433 3.676 4.011 1.00 0.00 C ATOM 112 CE1 PHE A 7 -12.325 5.363 6.192 1.00 0.00 C ATOM 113 CE2 PHE A 7 -13.590 4.267 4.485 1.00 0.00 C ATOM 114 CZ PHE A 7 -13.535 5.112 5.577 1.00 0.00 C ATOM 0 H PHE A 7 -7.713 3.028 5.270 1.00 0.00 H new ATOM 0 HA PHE A 7 -10.326 1.764 5.591 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.152 4.009 4.114 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -10.110 2.985 3.064 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -10.227 4.971 6.198 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -12.481 3.017 3.157 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -12.280 6.022 7.046 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -14.535 4.068 4.002 1.00 0.00 H new ATOM 0 HZ PHE A 7 -14.437 5.575 5.949 1.00 0.00 H new ATOM 124 N ALA A 8 -10.351 0.207 3.564 1.00 0.00 N ATOM 125 CA ALA A 8 -10.258 -0.936 2.671 1.00 0.00 C ATOM 126 C ALA A 8 -10.898 -0.637 1.318 1.00 0.00 C ATOM 127 O ALA A 8 -11.963 -0.025 1.246 1.00 0.00 O ATOM 128 CB ALA A 8 -10.914 -2.153 3.304 1.00 0.00 C ATOM 0 H ALA A 8 -11.303 0.446 3.842 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.202 -1.146 2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.837 -3.002 2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.411 -2.391 4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.965 -1.939 3.500 1.00 0.00 H new ATOM 134 N TYR A 9 -10.247 -1.082 0.247 1.00 0.00 N ATOM 135 CA TYR A 9 -10.757 -0.870 -1.102 1.00 0.00 C ATOM 136 C TYR A 9 -10.642 -2.148 -1.925 1.00 0.00 C ATOM 137 O TYR A 9 -9.584 -2.772 -1.971 1.00 0.00 O ATOM 138 CB TYR A 9 -9.997 0.265 -1.789 1.00 0.00 C ATOM 139 CG TYR A 9 -10.668 0.770 -3.046 1.00 0.00 C ATOM 140 CD1 TYR A 9 -12.038 0.996 -3.082 1.00 0.00 C ATOM 141 CD2 TYR A 9 -9.932 1.020 -4.197 1.00 0.00 C ATOM 142 CE1 TYR A 9 -12.656 1.457 -4.229 1.00 0.00 C ATOM 143 CE2 TYR A 9 -10.541 1.482 -5.348 1.00 0.00 C ATOM 144 CZ TYR A 9 -11.904 1.698 -5.359 1.00 0.00 C ATOM 145 OH TYR A 9 -12.514 2.156 -6.503 1.00 0.00 O ATOM 0 H TYR A 9 -9.365 -1.592 0.288 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.809 -0.595 -1.029 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.887 1.093 -1.089 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.993 -0.079 -2.037 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.630 0.808 -2.199 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -8.865 0.850 -4.192 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -13.722 1.628 -4.240 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -9.954 1.673 -6.234 1.00 0.00 H new ATOM 0 HH TYR A 9 -11.842 2.276 -7.206 1.00 0.00 H new ATOM 155 N VAL A 10 -11.736 -2.537 -2.572 1.00 0.00 N ATOM 156 CA VAL A 10 -11.750 -3.740 -3.387 1.00 0.00 C ATOM 157 C VAL A 10 -11.625 -3.405 -4.869 1.00 0.00 C ATOM 158 O VAL A 10 -12.560 -2.886 -5.477 1.00 0.00 O ATOM 159 CB VAL A 10 -13.035 -4.558 -3.163 1.00 0.00 C ATOM 160 CG1 VAL A 10 -12.985 -5.277 -1.824 1.00 0.00 C ATOM 161 CG2 VAL A 10 -14.261 -3.662 -3.251 1.00 0.00 C ATOM 0 H VAL A 10 -12.623 -2.034 -2.546 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.891 -4.337 -3.080 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.106 -5.310 -3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.902 -5.850 -1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.129 -5.952 -1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.888 -4.546 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.159 -4.258 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.199 -2.885 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.304 -3.200 -4.237 1.00 0.00 H new ATOM 171 N ALA A 11 -10.464 -3.709 -5.443 1.00 0.00 N ATOM 172 CA ALA A 11 -10.211 -3.443 -6.855 1.00 0.00 C ATOM 173 C ALA A 11 -8.806 -3.879 -7.251 1.00 0.00 C ATOM 174 O ALA A 11 -7.818 -3.310 -6.789 1.00 0.00 O ATOM 175 CB ALA A 11 -10.403 -1.964 -7.162 1.00 0.00 C ATOM 0 H ALA A 11 -9.682 -4.141 -4.950 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.928 -4.022 -7.438 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.210 -1.784 -8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.426 -1.673 -6.925 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.710 -1.375 -6.561 1.00 0.00 H new ATOM 181 N GLU A 12 -8.718 -4.887 -8.115 1.00 0.00 N ATOM 182 CA GLU A 12 -7.423 -5.377 -8.567 1.00 0.00 C ATOM 183 C GLU A 12 -7.284 -5.248 -10.080 1.00 0.00 C ATOM 184 O GLU A 12 -8.020 -5.870 -10.844 1.00 0.00 O ATOM 185 CB GLU A 12 -7.233 -6.836 -8.150 1.00 0.00 C ATOM 186 CG GLU A 12 -7.532 -7.091 -6.681 1.00 0.00 C ATOM 187 CD GLU A 12 -8.468 -8.264 -6.471 1.00 0.00 C ATOM 188 OE1 GLU A 12 -8.503 -9.159 -7.342 1.00 0.00 O ATOM 189 OE2 GLU A 12 -9.167 -8.290 -5.436 1.00 0.00 O ATOM 0 H GLU A 12 -9.521 -5.375 -8.512 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.651 -4.766 -8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.880 -7.467 -8.759 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.206 -7.135 -8.361 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.598 -7.277 -6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.974 -6.196 -6.243 1.00 0.00 H new ATOM 196 N ARG A 13 -6.320 -4.438 -10.494 1.00 0.00 N ATOM 197 CA ARG A 13 -6.041 -4.208 -11.903 1.00 0.00 C ATOM 198 C ARG A 13 -4.598 -3.750 -12.060 1.00 0.00 C ATOM 199 O ARG A 13 -4.005 -3.245 -11.110 1.00 0.00 O ATOM 200 CB ARG A 13 -7.031 -3.176 -12.470 1.00 0.00 C ATOM 201 CG ARG A 13 -6.476 -2.261 -13.561 1.00 0.00 C ATOM 202 CD ARG A 13 -6.136 -0.890 -13.009 1.00 0.00 C ATOM 203 NE ARG A 13 -6.791 0.182 -13.755 1.00 0.00 N ATOM 204 CZ ARG A 13 -6.446 1.465 -13.665 1.00 0.00 C ATOM 205 NH1 ARG A 13 -5.460 1.840 -12.859 1.00 0.00 N ATOM 206 NH2 ARG A 13 -7.090 2.375 -14.381 1.00 0.00 N ATOM 0 H ARG A 13 -5.709 -3.922 -9.861 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.169 -5.132 -12.467 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.894 -3.708 -12.871 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.392 -2.556 -11.649 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.584 -2.711 -13.998 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.208 -2.162 -14.363 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.435 -0.837 -11.962 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.056 -0.745 -13.040 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.557 -0.067 -14.381 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.962 1.144 -12.304 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.200 2.824 -12.794 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.849 2.093 -15.001 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.826 3.358 -14.313 1.00 0.00 H new ATOM 220 N GLU A 14 -4.030 -3.908 -13.249 1.00 0.00 N ATOM 221 CA GLU A 14 -2.658 -3.474 -13.473 1.00 0.00 C ATOM 222 C GLU A 14 -2.525 -2.008 -13.073 1.00 0.00 C ATOM 223 O GLU A 14 -3.033 -1.124 -13.761 1.00 0.00 O ATOM 224 CB GLU A 14 -2.266 -3.660 -14.940 1.00 0.00 C ATOM 225 CG GLU A 14 -3.184 -2.935 -15.911 1.00 0.00 C ATOM 226 CD GLU A 14 -3.707 -3.842 -17.007 1.00 0.00 C ATOM 227 OE1 GLU A 14 -2.949 -4.120 -17.961 1.00 0.00 O ATOM 228 OE2 GLU A 14 -4.875 -4.275 -16.912 1.00 0.00 O ATOM 0 H GLU A 14 -4.488 -4.325 -14.059 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.987 -4.081 -12.865 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.246 -3.304 -15.083 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.268 -4.724 -15.176 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.025 -2.512 -15.362 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.645 -2.101 -16.361 1.00 0.00 H new ATOM 235 N ASP A 15 -1.863 -1.774 -11.937 1.00 0.00 N ATOM 236 CA ASP A 15 -1.663 -0.426 -11.387 1.00 0.00 C ATOM 237 C ASP A 15 -2.734 -0.097 -10.340 1.00 0.00 C ATOM 238 O ASP A 15 -2.843 1.043 -9.890 1.00 0.00 O ATOM 239 CB ASP A 15 -1.670 0.642 -12.488 1.00 0.00 C ATOM 240 CG ASP A 15 -0.656 1.740 -12.234 1.00 0.00 C ATOM 241 OD1 ASP A 15 -0.226 1.895 -11.071 1.00 0.00 O ATOM 242 OD2 ASP A 15 -0.291 2.445 -13.198 1.00 0.00 O ATOM 0 H ASP A 15 -1.449 -2.514 -11.370 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.683 -0.418 -10.909 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.459 0.171 -13.448 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.666 1.080 -12.559 1.00 0.00 H new ATOM 247 N GLU A 16 -3.515 -1.106 -9.953 1.00 0.00 N ATOM 248 CA GLU A 16 -4.567 -0.943 -8.962 1.00 0.00 C ATOM 249 C GLU A 16 -4.405 -1.983 -7.856 1.00 0.00 C ATOM 250 O GLU A 16 -4.121 -3.150 -8.126 1.00 0.00 O ATOM 251 CB GLU A 16 -5.941 -1.084 -9.629 1.00 0.00 C ATOM 252 CG GLU A 16 -7.055 -1.490 -8.684 1.00 0.00 C ATOM 253 CD GLU A 16 -8.284 -0.609 -8.810 1.00 0.00 C ATOM 254 OE1 GLU A 16 -9.034 -0.773 -9.795 1.00 0.00 O ATOM 255 OE2 GLU A 16 -8.495 0.245 -7.922 1.00 0.00 O ATOM 0 H GLU A 16 -3.433 -2.054 -10.319 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.492 0.051 -8.522 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.204 -0.135 -10.096 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.870 -1.823 -10.427 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.334 -2.525 -8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.688 -1.449 -7.658 1.00 0.00 H new ATOM 262 N LEU A 17 -4.585 -1.554 -6.614 1.00 0.00 N ATOM 263 CA LEU A 17 -4.456 -2.452 -5.474 1.00 0.00 C ATOM 264 C LEU A 17 -5.665 -2.345 -4.545 1.00 0.00 C ATOM 265 O LEU A 17 -6.285 -1.287 -4.439 1.00 0.00 O ATOM 266 CB LEU A 17 -3.174 -2.135 -4.703 1.00 0.00 C ATOM 267 CG LEU A 17 -3.310 -1.023 -3.662 1.00 0.00 C ATOM 268 CD1 LEU A 17 -3.645 -1.614 -2.302 1.00 0.00 C ATOM 269 CD2 LEU A 17 -2.039 -0.195 -3.588 1.00 0.00 C ATOM 0 H LEU A 17 -4.820 -0.592 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.409 -3.474 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.834 -3.042 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.398 -1.854 -5.415 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.124 -0.364 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.739 -0.812 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.586 -2.160 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.850 -2.294 -1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.159 0.590 -2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.203 -0.836 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.842 0.257 -4.560 1.00 0.00 H new ATOM 281 N SER A 18 -5.978 -3.439 -3.859 1.00 0.00 N ATOM 282 CA SER A 18 -7.092 -3.459 -2.924 1.00 0.00 C ATOM 283 C SER A 18 -6.591 -3.171 -1.508 1.00 0.00 C ATOM 284 O SER A 18 -5.569 -3.712 -1.084 1.00 0.00 O ATOM 285 CB SER A 18 -7.811 -4.812 -2.980 1.00 0.00 C ATOM 286 OG SER A 18 -7.394 -5.666 -1.929 1.00 0.00 O ATOM 0 H SER A 18 -5.474 -4.323 -3.934 1.00 0.00 H new ATOM 0 HA SER A 18 -7.804 -2.683 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.888 -4.656 -2.918 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.614 -5.291 -3.939 1.00 0.00 H new ATOM 0 HG SER A 18 -7.872 -6.519 -1.992 1.00 0.00 H new ATOM 292 N LEU A 19 -7.299 -2.308 -0.784 1.00 0.00 N ATOM 293 CA LEU A 19 -6.898 -1.945 0.573 1.00 0.00 C ATOM 294 C LEU A 19 -7.620 -2.788 1.618 1.00 0.00 C ATOM 295 O LEU A 19 -8.745 -3.239 1.402 1.00 0.00 O ATOM 296 CB LEU A 19 -7.162 -0.459 0.832 1.00 0.00 C ATOM 297 CG LEU A 19 -6.893 0.468 -0.354 1.00 0.00 C ATOM 298 CD1 LEU A 19 -7.687 1.758 -0.214 1.00 0.00 C ATOM 299 CD2 LEU A 19 -5.407 0.766 -0.463 1.00 0.00 C ATOM 0 H LEU A 19 -8.149 -1.849 -1.112 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.829 -2.141 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.201 -0.339 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.544 -0.138 1.671 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.214 -0.034 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.483 2.405 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.752 1.528 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.396 2.266 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.230 1.427 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.065 1.250 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.859 -0.165 -0.608 1.00 0.00 H new ATOM 311 N VAL A 20 -6.957 -2.994 2.753 1.00 0.00 N ATOM 312 CA VAL A 20 -7.519 -3.779 3.846 1.00 0.00 C ATOM 313 C VAL A 20 -8.330 -2.901 4.796 1.00 0.00 C ATOM 314 O VAL A 20 -8.219 -1.675 4.767 1.00 0.00 O ATOM 315 CB VAL A 20 -6.415 -4.491 4.653 1.00 0.00 C ATOM 316 CG1 VAL A 20 -6.998 -5.643 5.457 1.00 0.00 C ATOM 317 CG2 VAL A 20 -5.302 -4.981 3.736 1.00 0.00 C ATOM 0 H VAL A 20 -6.024 -2.625 2.939 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.172 -4.525 3.392 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.985 -3.771 5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.203 -6.133 6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.749 -5.261 6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.460 -6.362 4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.535 -5.480 4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.712 -5.682 3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.861 -4.132 3.213 1.00 0.00 H new ATOM 327 N LYS A 21 -9.142 -3.535 5.637 1.00 0.00 N ATOM 328 CA LYS A 21 -9.969 -2.812 6.596 1.00 0.00 C ATOM 329 C LYS A 21 -9.149 -2.374 7.805 1.00 0.00 C ATOM 330 O LYS A 21 -9.379 -1.302 8.366 1.00 0.00 O ATOM 331 CB LYS A 21 -11.138 -3.685 7.053 1.00 0.00 C ATOM 332 CG LYS A 21 -11.942 -4.277 5.906 1.00 0.00 C ATOM 333 CD LYS A 21 -11.542 -5.717 5.620 1.00 0.00 C ATOM 334 CE LYS A 21 -11.742 -6.609 6.836 1.00 0.00 C ATOM 335 NZ LYS A 21 -13.016 -6.305 7.546 1.00 0.00 N ATOM 0 H LYS A 21 -9.244 -4.549 5.673 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.357 -1.922 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.754 -4.495 7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.801 -3.090 7.681 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.004 -4.236 6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.795 -3.674 5.010 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.132 -6.100 4.787 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.497 -5.750 5.312 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.741 -7.653 6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.905 -6.480 7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.242 -7.080 8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.913 -5.419 8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.784 -6.203 6.852 1.00 0.00 H new ATOM 349 N GLY A 22 -8.193 -3.207 8.202 1.00 0.00 N ATOM 350 CA GLY A 22 -7.359 -2.884 9.342 1.00 0.00 C ATOM 351 C GLY A 22 -6.218 -3.859 9.522 1.00 0.00 C ATOM 352 O GLY A 22 -6.181 -4.618 10.490 1.00 0.00 O ATOM 0 H GLY A 22 -7.982 -4.099 7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.957 -1.878 9.220 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.971 -2.875 10.244 1.00 0.00 H new ATOM 356 N SER A 23 -5.284 -3.830 8.586 1.00 0.00 N ATOM 357 CA SER A 23 -4.124 -4.703 8.628 1.00 0.00 C ATOM 358 C SER A 23 -2.848 -3.917 8.355 1.00 0.00 C ATOM 359 O SER A 23 -2.863 -2.685 8.318 1.00 0.00 O ATOM 360 CB SER A 23 -4.271 -5.839 7.618 1.00 0.00 C ATOM 361 OG SER A 23 -4.252 -7.102 8.262 1.00 0.00 O ATOM 0 H SER A 23 -5.308 -3.205 7.781 1.00 0.00 H new ATOM 0 HA SER A 23 -4.058 -5.132 9.628 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.205 -5.722 7.068 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.463 -5.787 6.888 1.00 0.00 H new ATOM 0 HG SER A 23 -4.349 -7.812 7.593 1.00 0.00 H new ATOM 367 N ARG A 24 -1.743 -4.630 8.167 1.00 0.00 N ATOM 368 CA ARG A 24 -0.463 -3.987 7.903 1.00 0.00 C ATOM 369 C ARG A 24 0.115 -4.425 6.562 1.00 0.00 C ATOM 370 O ARG A 24 0.022 -5.591 6.179 1.00 0.00 O ATOM 371 CB ARG A 24 0.518 -4.294 9.024 1.00 0.00 C ATOM 372 CG ARG A 24 0.083 -3.747 10.373 1.00 0.00 C ATOM 373 CD ARG A 24 0.805 -2.452 10.708 1.00 0.00 C ATOM 374 NE ARG A 24 1.120 -2.351 12.131 1.00 0.00 N ATOM 375 CZ ARG A 24 1.709 -1.295 12.687 1.00 0.00 C ATOM 376 NH1 ARG A 24 2.047 -0.247 11.944 1.00 0.00 N ATOM 377 NH2 ARG A 24 1.960 -1.284 13.989 1.00 0.00 N ATOM 0 H ARG A 24 -1.708 -5.649 8.192 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.631 -2.911 7.858 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.643 -5.374 9.101 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.492 -3.878 8.768 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.993 -3.574 10.367 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.282 -4.487 11.148 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.726 -2.390 10.128 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.185 -1.605 10.413 1.00 0.00 H new ATOM 0 HE ARG A 24 0.874 -3.136 12.734 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.855 -0.249 10.942 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.498 0.560 12.375 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.702 -2.085 14.565 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.411 -0.474 14.415 1.00 0.00 H new ATOM 391 N VAL A 25 0.712 -3.473 5.854 1.00 0.00 N ATOM 392 CA VAL A 25 1.313 -3.736 4.553 1.00 0.00 C ATOM 393 C VAL A 25 2.671 -3.053 4.453 1.00 0.00 C ATOM 394 O VAL A 25 2.936 -2.096 5.179 1.00 0.00 O ATOM 395 CB VAL A 25 0.411 -3.221 3.418 1.00 0.00 C ATOM 396 CG1 VAL A 25 0.956 -3.640 2.066 1.00 0.00 C ATOM 397 CG2 VAL A 25 -1.017 -3.714 3.603 1.00 0.00 C ATOM 0 H VAL A 25 0.793 -2.504 6.163 1.00 0.00 H new ATOM 0 HA VAL A 25 1.433 -4.815 4.453 1.00 0.00 H new ATOM 0 HB VAL A 25 0.402 -2.132 3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.303 -3.265 1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.957 -3.229 1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.001 -4.728 2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.639 -3.339 2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.029 -4.804 3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.406 -3.352 4.555 1.00 0.00 H new ATOM 407 N THR A 26 3.534 -3.529 3.556 1.00 0.00 N ATOM 408 CA THR A 26 4.847 -2.918 3.407 1.00 0.00 C ATOM 409 C THR A 26 4.847 -1.924 2.252 1.00 0.00 C ATOM 410 O THR A 26 5.032 -2.296 1.094 1.00 0.00 O ATOM 411 CB THR A 26 5.908 -3.994 3.189 1.00 0.00 C ATOM 412 OG1 THR A 26 5.757 -4.580 1.919 1.00 0.00 O ATOM 413 CG2 THR A 26 5.865 -5.102 4.218 1.00 0.00 C ATOM 0 H THR A 26 3.351 -4.318 2.936 1.00 0.00 H new ATOM 0 HA THR A 26 5.084 -2.376 4.323 1.00 0.00 H new ATOM 0 HB THR A 26 6.866 -3.482 3.281 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.206 -3.999 1.354 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.646 -5.831 4.001 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.026 -4.683 5.211 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.892 -5.592 4.184 1.00 0.00 H new ATOM 421 N VAL A 27 4.638 -0.657 2.584 1.00 0.00 N ATOM 422 CA VAL A 27 4.609 0.406 1.589 1.00 0.00 C ATOM 423 C VAL A 27 5.882 1.249 1.615 1.00 0.00 C ATOM 424 O VAL A 27 6.032 2.126 2.465 1.00 0.00 O ATOM 425 CB VAL A 27 3.389 1.327 1.790 1.00 0.00 C ATOM 426 CG1 VAL A 27 3.437 1.992 3.158 1.00 0.00 C ATOM 427 CG2 VAL A 27 3.310 2.369 0.683 1.00 0.00 C ATOM 0 H VAL A 27 4.485 -0.339 3.541 1.00 0.00 H new ATOM 0 HA VAL A 27 4.536 -0.084 0.618 1.00 0.00 H new ATOM 0 HB VAL A 27 2.488 0.715 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.567 2.638 3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.433 1.227 3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.346 2.588 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.442 3.007 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.214 2.977 0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.217 1.869 -0.281 1.00 0.00 H new ATOM 437 N MET A 28 6.782 1.010 0.670 1.00 0.00 N ATOM 438 CA MET A 28 8.010 1.794 0.598 1.00 0.00 C ATOM 439 C MET A 28 8.750 1.561 -0.716 1.00 0.00 C ATOM 440 O MET A 28 9.456 0.567 -0.883 1.00 0.00 O ATOM 441 CB MET A 28 8.925 1.452 1.775 1.00 0.00 C ATOM 442 CG MET A 28 9.024 -0.039 2.038 1.00 0.00 C ATOM 443 SD MET A 28 8.534 -0.490 3.715 1.00 0.00 S ATOM 444 CE MET A 28 10.128 -0.829 4.456 1.00 0.00 C ATOM 0 H MET A 28 6.689 0.291 -0.048 1.00 0.00 H new ATOM 0 HA MET A 28 7.732 2.847 0.647 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.922 1.847 1.579 1.00 0.00 H new ATOM 0 HB3 MET A 28 8.555 1.949 2.672 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.394 -0.571 1.325 1.00 0.00 H new ATOM 0 HG3 MET A 28 10.049 -0.366 1.864 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.990 -1.122 5.497 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.617 -1.638 3.913 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.748 0.066 4.410 1.00 0.00 H new ATOM 454 N GLU A 29 8.600 2.511 -1.632 1.00 0.00 N ATOM 455 CA GLU A 29 9.264 2.457 -2.928 1.00 0.00 C ATOM 456 C GLU A 29 9.745 3.845 -3.334 1.00 0.00 C ATOM 457 O GLU A 29 9.251 4.850 -2.823 1.00 0.00 O ATOM 458 CB GLU A 29 8.324 1.891 -3.995 1.00 0.00 C ATOM 459 CG GLU A 29 8.950 1.812 -5.380 1.00 0.00 C ATOM 460 CD GLU A 29 10.158 0.899 -5.422 1.00 0.00 C ATOM 461 OE1 GLU A 29 10.105 -0.187 -4.808 1.00 0.00 O ATOM 462 OE2 GLU A 29 11.161 1.271 -6.069 1.00 0.00 O ATOM 0 H GLU A 29 8.017 3.337 -1.498 1.00 0.00 H new ATOM 0 HA GLU A 29 10.127 1.796 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.004 0.894 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.429 2.512 -4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.205 1.456 -6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.244 2.812 -5.700 1.00 0.00 H new ATOM 469 N LYS A 30 10.677 3.907 -4.276 1.00 0.00 N ATOM 470 CA LYS A 30 11.171 5.184 -4.759 1.00 0.00 C ATOM 471 C LYS A 30 11.217 5.187 -6.283 1.00 0.00 C ATOM 472 O LYS A 30 12.184 4.729 -6.890 1.00 0.00 O ATOM 473 CB LYS A 30 12.555 5.478 -4.181 1.00 0.00 C ATOM 474 CG LYS A 30 12.526 5.859 -2.709 1.00 0.00 C ATOM 475 CD LYS A 30 13.730 5.304 -1.966 1.00 0.00 C ATOM 476 CE LYS A 30 13.450 5.155 -0.479 1.00 0.00 C ATOM 477 NZ LYS A 30 14.319 6.044 0.341 1.00 0.00 N ATOM 0 H LYS A 30 11.102 3.092 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 30 10.490 5.968 -4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.188 4.600 -4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.014 6.287 -4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.507 6.945 -2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.610 5.483 -2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.002 4.335 -2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.584 5.965 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.404 5.387 -0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.608 4.118 -0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.097 5.913 1.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.317 5.806 0.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.150 7.035 0.076 1.00 0.00 H new ATOM 491 N CYS A 31 10.156 5.710 -6.888 1.00 0.00 N ATOM 492 CA CYS A 31 10.051 5.783 -8.340 1.00 0.00 C ATOM 493 C CYS A 31 10.206 7.217 -8.829 1.00 0.00 C ATOM 494 O CYS A 31 9.976 8.168 -8.082 1.00 0.00 O ATOM 495 CB CYS A 31 8.707 5.219 -8.802 1.00 0.00 C ATOM 496 SG CYS A 31 8.633 4.843 -10.569 1.00 0.00 S ATOM 0 H CYS A 31 9.351 6.092 -6.391 1.00 0.00 H new ATOM 0 HA CYS A 31 10.857 5.186 -8.766 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.493 4.311 -8.239 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.922 5.936 -8.561 1.00 0.00 H new ATOM 0 HG CYS A 31 7.459 4.369 -10.863 1.00 0.00 H new ATOM 502 N SER A 32 10.578 7.369 -10.094 1.00 0.00 N ATOM 503 CA SER A 32 10.739 8.691 -10.686 1.00 0.00 C ATOM 504 C SER A 32 9.393 9.250 -11.138 1.00 0.00 C ATOM 505 O SER A 32 9.298 10.407 -11.549 1.00 0.00 O ATOM 506 CB SER A 32 11.708 8.633 -11.869 1.00 0.00 C ATOM 507 OG SER A 32 12.419 9.850 -12.007 1.00 0.00 O ATOM 0 H SER A 32 10.774 6.595 -10.729 1.00 0.00 H new ATOM 0 HA SER A 32 11.151 9.355 -9.926 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.411 7.812 -11.727 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.156 8.425 -12.785 1.00 0.00 H new ATOM 0 HG SER A 32 13.032 9.786 -12.769 1.00 0.00 H new ATOM 513 N ASP A 33 8.351 8.424 -11.055 1.00 0.00 N ATOM 514 CA ASP A 33 7.013 8.841 -11.451 1.00 0.00 C ATOM 515 C ASP A 33 6.106 8.980 -10.233 1.00 0.00 C ATOM 516 O ASP A 33 6.491 8.637 -9.114 1.00 0.00 O ATOM 517 CB ASP A 33 6.416 7.838 -12.441 1.00 0.00 C ATOM 518 CG ASP A 33 6.311 8.403 -13.843 1.00 0.00 C ATOM 519 OD1 ASP A 33 7.313 8.340 -14.586 1.00 0.00 O ATOM 520 OD2 ASP A 33 5.225 8.909 -14.201 1.00 0.00 O ATOM 0 H ASP A 33 8.411 7.463 -10.717 1.00 0.00 H new ATOM 0 HA ASP A 33 7.089 9.814 -11.936 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.032 6.939 -12.460 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.426 7.538 -12.098 1.00 0.00 H new ATOM 525 N GLY A 34 4.903 9.490 -10.460 1.00 0.00 N ATOM 526 CA GLY A 34 3.954 9.678 -9.379 1.00 0.00 C ATOM 527 C GLY A 34 3.496 8.371 -8.758 1.00 0.00 C ATOM 528 O GLY A 34 3.168 8.324 -7.572 1.00 0.00 O ATOM 0 H GLY A 34 4.566 9.778 -11.378 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.408 10.301 -8.608 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.086 10.219 -9.755 1.00 0.00 H new ATOM 532 N TRP A 35 3.467 7.308 -9.556 1.00 0.00 N ATOM 533 CA TRP A 35 3.038 6.002 -9.066 1.00 0.00 C ATOM 534 C TRP A 35 4.164 5.307 -8.305 1.00 0.00 C ATOM 535 O TRP A 35 5.282 5.184 -8.803 1.00 0.00 O ATOM 536 CB TRP A 35 2.557 5.125 -10.227 1.00 0.00 C ATOM 537 CG TRP A 35 3.661 4.648 -11.122 1.00 0.00 C ATOM 538 CD1 TRP A 35 4.226 5.328 -12.162 1.00 0.00 C ATOM 539 CD2 TRP A 35 4.327 3.382 -11.058 1.00 0.00 C ATOM 540 NE1 TRP A 35 5.207 4.563 -12.747 1.00 0.00 N ATOM 541 CE2 TRP A 35 5.288 3.364 -12.087 1.00 0.00 C ATOM 542 CE3 TRP A 35 4.206 2.263 -10.229 1.00 0.00 C ATOM 543 CZ2 TRP A 35 6.121 2.270 -12.309 1.00 0.00 C ATOM 544 CZ3 TRP A 35 5.034 1.178 -10.450 1.00 0.00 C ATOM 545 CH2 TRP A 35 5.980 1.189 -11.482 1.00 0.00 C ATOM 0 H TRP A 35 3.734 7.324 -10.540 1.00 0.00 H new ATOM 0 HA TRP A 35 2.207 6.156 -8.377 1.00 0.00 H new ATOM 0 HB2 TRP A 35 2.030 4.261 -9.823 1.00 0.00 H new ATOM 0 HB3 TRP A 35 1.837 5.688 -10.821 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.944 6.321 -12.479 1.00 0.00 H new ATOM 0 HE1 TRP A 35 5.781 4.842 -13.543 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.479 2.246 -9.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.851 2.275 -13.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 4.950 0.308 -9.816 1.00 0.00 H new ATOM 0 HH2 TRP A 35 6.612 0.326 -11.629 1.00 0.00 H new ATOM 556 N TRP A 36 3.859 4.864 -7.088 1.00 0.00 N ATOM 557 CA TRP A 36 4.838 4.191 -6.249 1.00 0.00 C ATOM 558 C TRP A 36 4.517 2.707 -6.101 1.00 0.00 C ATOM 559 O TRP A 36 3.354 2.306 -6.119 1.00 0.00 O ATOM 560 CB TRP A 36 4.883 4.840 -4.863 1.00 0.00 C ATOM 561 CG TRP A 36 5.964 5.870 -4.703 1.00 0.00 C ATOM 562 CD1 TRP A 36 6.931 6.207 -5.609 1.00 0.00 C ATOM 563 CD2 TRP A 36 6.188 6.697 -3.554 1.00 0.00 C ATOM 564 NE1 TRP A 36 7.740 7.190 -5.091 1.00 0.00 N ATOM 565 CE2 TRP A 36 7.304 7.508 -3.833 1.00 0.00 C ATOM 566 CE3 TRP A 36 5.551 6.829 -2.316 1.00 0.00 C ATOM 567 CZ2 TRP A 36 7.795 8.437 -2.919 1.00 0.00 C ATOM 568 CZ3 TRP A 36 6.041 7.752 -1.411 1.00 0.00 C ATOM 569 CH2 TRP A 36 7.153 8.546 -1.716 1.00 0.00 C ATOM 0 H TRP A 36 2.937 4.961 -6.663 1.00 0.00 H new ATOM 0 HA TRP A 36 5.810 4.289 -6.733 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.919 5.306 -4.661 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.024 4.061 -4.113 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.043 5.765 -6.588 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.536 7.614 -5.567 1.00 0.00 H new ATOM 0 HE3 TRP A 36 4.692 6.221 -2.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 8.653 9.050 -3.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.557 7.863 -0.452 1.00 0.00 H new ATOM 0 HH2 TRP A 36 7.511 9.258 -0.987 1.00 0.00 H new ATOM 580 N ARG A 37 5.559 1.903 -5.934 1.00 0.00 N ATOM 581 CA ARG A 37 5.399 0.465 -5.760 1.00 0.00 C ATOM 582 C ARG A 37 5.320 0.114 -4.283 1.00 0.00 C ATOM 583 O ARG A 37 5.880 0.808 -3.436 1.00 0.00 O ATOM 584 CB ARG A 37 6.540 -0.311 -6.405 1.00 0.00 C ATOM 585 CG ARG A 37 6.162 -1.739 -6.761 1.00 0.00 C ATOM 586 CD ARG A 37 5.771 -1.872 -8.223 1.00 0.00 C ATOM 587 NE ARG A 37 6.434 -3.004 -8.867 1.00 0.00 N ATOM 588 CZ ARG A 37 6.063 -4.271 -8.702 1.00 0.00 C ATOM 589 NH1 ARG A 37 5.039 -4.575 -7.912 1.00 0.00 N ATOM 590 NH2 ARG A 37 6.717 -5.240 -9.329 1.00 0.00 N ATOM 0 H ARG A 37 6.527 2.224 -5.915 1.00 0.00 H new ATOM 0 HA ARG A 37 4.470 0.181 -6.254 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.861 0.209 -7.307 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.392 -0.326 -5.725 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.001 -2.401 -6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.333 -2.063 -6.132 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.690 -1.993 -8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.027 -0.954 -8.752 1.00 0.00 H new ATOM 0 HE ARG A 37 7.227 -2.812 -9.479 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.532 -3.835 -7.427 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.760 -5.549 -7.790 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.504 -5.014 -9.937 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.433 -6.212 -9.203 1.00 0.00 H new ATOM 604 N GLY A 38 4.617 -0.963 -3.982 1.00 0.00 N ATOM 605 CA GLY A 38 4.473 -1.386 -2.602 1.00 0.00 C ATOM 606 C GLY A 38 4.420 -2.890 -2.458 1.00 0.00 C ATOM 607 O GLY A 38 4.084 -3.598 -3.407 1.00 0.00 O ATOM 0 H GLY A 38 4.143 -1.554 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.307 -0.998 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.564 -0.952 -2.186 1.00 0.00 H new ATOM 611 N SER A 39 4.749 -3.379 -1.269 1.00 0.00 N ATOM 612 CA SER A 39 4.732 -4.811 -1.011 1.00 0.00 C ATOM 613 C SER A 39 3.784 -5.146 0.128 1.00 0.00 C ATOM 614 O SER A 39 3.534 -4.320 1.006 1.00 0.00 O ATOM 615 CB SER A 39 6.140 -5.321 -0.698 1.00 0.00 C ATOM 616 OG SER A 39 6.909 -5.453 -1.881 1.00 0.00 O ATOM 0 H SER A 39 5.029 -2.807 -0.472 1.00 0.00 H new ATOM 0 HA SER A 39 4.375 -5.310 -1.912 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.636 -4.633 -0.013 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.077 -6.284 -0.192 1.00 0.00 H new ATOM 0 HG SER A 39 7.805 -5.779 -1.654 1.00 0.00 H new ATOM 622 N TYR A 40 3.247 -6.358 0.103 1.00 0.00 N ATOM 623 CA TYR A 40 2.318 -6.793 1.133 1.00 0.00 C ATOM 624 C TYR A 40 2.629 -8.214 1.590 1.00 0.00 C ATOM 625 O TYR A 40 2.904 -9.095 0.777 1.00 0.00 O ATOM 626 CB TYR A 40 0.866 -6.708 0.635 1.00 0.00 C ATOM 627 CG TYR A 40 0.690 -6.055 -0.728 1.00 0.00 C ATOM 628 CD1 TYR A 40 1.101 -4.748 -0.961 1.00 0.00 C ATOM 629 CD2 TYR A 40 0.103 -6.749 -1.780 1.00 0.00 C ATOM 630 CE1 TYR A 40 0.934 -4.154 -2.198 1.00 0.00 C ATOM 631 CE2 TYR A 40 -0.068 -6.162 -3.019 1.00 0.00 C ATOM 632 CZ TYR A 40 0.349 -4.867 -3.223 1.00 0.00 C ATOM 633 OH TYR A 40 0.181 -4.280 -4.456 1.00 0.00 O ATOM 0 H TYR A 40 3.439 -7.054 -0.617 1.00 0.00 H new ATOM 0 HA TYR A 40 2.436 -6.122 1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.452 -7.716 0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.279 -6.152 1.366 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.559 -4.186 -0.161 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.226 -7.766 -1.626 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.260 -3.137 -2.361 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.527 -6.717 -3.824 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.744 -4.404 -4.754 1.00 0.00 H new ATOM 643 N ASN A 41 2.578 -8.429 2.900 1.00 0.00 N ATOM 644 CA ASN A 41 2.847 -9.750 3.469 1.00 0.00 C ATOM 645 C ASN A 41 1.857 -10.771 2.921 1.00 0.00 C ATOM 646 O ASN A 41 0.808 -11.022 3.515 1.00 0.00 O ATOM 647 CB ASN A 41 2.777 -9.725 5.005 1.00 0.00 C ATOM 648 CG ASN A 41 1.903 -8.609 5.552 1.00 0.00 C ATOM 649 OD1 ASN A 41 0.778 -8.357 4.893 1.00 0.00 O flip ATOM 650 ND2 ASN A 41 2.236 -7.980 6.558 1.00 0.00 N flip ATOM 0 H ASN A 41 2.354 -7.710 3.588 1.00 0.00 H new ATOM 0 HA ASN A 41 3.858 -10.037 3.181 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.395 -10.682 5.359 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.785 -9.616 5.405 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.109 -8.206 7.035 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.639 -7.234 6.914 1.00 0.00 H new ATOM 657 N GLY A 42 2.198 -11.343 1.771 1.00 0.00 N ATOM 658 CA GLY A 42 1.339 -12.315 1.134 1.00 0.00 C ATOM 659 C GLY A 42 1.133 -12.013 -0.340 1.00 0.00 C ATOM 660 O GLY A 42 0.681 -12.868 -1.101 1.00 0.00 O ATOM 0 H GLY A 42 3.063 -11.146 1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.773 -13.309 1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.373 -12.332 1.639 1.00 0.00 H new ATOM 664 N GLN A 43 1.473 -10.789 -0.738 1.00 0.00 N ATOM 665 CA GLN A 43 1.334 -10.359 -2.125 1.00 0.00 C ATOM 666 C GLN A 43 2.042 -9.027 -2.341 1.00 0.00 C ATOM 667 O GLN A 43 2.279 -8.277 -1.396 1.00 0.00 O ATOM 668 CB GLN A 43 -0.142 -10.235 -2.514 1.00 0.00 C ATOM 669 CG GLN A 43 -1.069 -10.058 -1.327 1.00 0.00 C ATOM 670 CD GLN A 43 -2.476 -9.682 -1.735 1.00 0.00 C ATOM 671 OE1 GLN A 43 -2.772 -8.515 -1.993 1.00 0.00 O ATOM 672 NE2 GLN A 43 -3.354 -10.674 -1.795 1.00 0.00 N ATOM 0 H GLN A 43 1.849 -10.075 -0.114 1.00 0.00 H new ATOM 0 HA GLN A 43 1.796 -11.115 -2.760 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.262 -9.387 -3.188 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.440 -11.126 -3.067 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.097 -10.984 -0.752 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.667 -9.287 -0.670 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.064 -11.626 -1.572 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.320 -10.485 -2.064 1.00 0.00 H new ATOM 681 N ILE A 44 2.390 -8.746 -3.587 1.00 0.00 N ATOM 682 CA ILE A 44 3.087 -7.514 -3.927 1.00 0.00 C ATOM 683 C ILE A 44 2.462 -6.846 -5.152 1.00 0.00 C ATOM 684 O ILE A 44 1.790 -7.498 -5.951 1.00 0.00 O ATOM 685 CB ILE A 44 4.584 -7.803 -4.179 1.00 0.00 C ATOM 686 CG1 ILE A 44 5.331 -7.800 -2.849 1.00 0.00 C ATOM 687 CG2 ILE A 44 5.205 -6.791 -5.138 1.00 0.00 C ATOM 688 CD1 ILE A 44 4.997 -8.977 -1.959 1.00 0.00 C ATOM 0 H ILE A 44 2.201 -9.356 -4.382 1.00 0.00 H new ATOM 0 HA ILE A 44 2.994 -6.827 -3.086 1.00 0.00 H new ATOM 0 HB ILE A 44 4.667 -8.784 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.403 -7.797 -3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.102 -6.877 -2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.258 -7.030 -5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.684 -6.829 -6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.117 -5.789 -4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.567 -8.906 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.931 -8.970 -1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.252 -9.905 -2.471 1.00 0.00 H new ATOM 700 N GLY A 45 2.693 -5.541 -5.294 1.00 0.00 N ATOM 701 CA GLY A 45 2.145 -4.818 -6.429 1.00 0.00 C ATOM 702 C GLY A 45 2.278 -3.309 -6.306 1.00 0.00 C ATOM 703 O GLY A 45 3.380 -2.766 -6.360 1.00 0.00 O ATOM 0 H GLY A 45 3.245 -4.977 -4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.650 -5.147 -7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.091 -5.074 -6.539 1.00 0.00 H new ATOM 707 N TRP A 46 1.144 -2.633 -6.155 1.00 0.00 N ATOM 708 CA TRP A 46 1.116 -1.177 -6.044 1.00 0.00 C ATOM 709 C TRP A 46 1.013 -0.739 -4.586 1.00 0.00 C ATOM 710 O TRP A 46 0.377 -1.407 -3.770 1.00 0.00 O ATOM 711 CB TRP A 46 -0.069 -0.629 -6.845 1.00 0.00 C ATOM 712 CG TRP A 46 0.056 0.819 -7.208 1.00 0.00 C ATOM 713 CD1 TRP A 46 1.199 1.488 -7.534 1.00 0.00 C ATOM 714 CD2 TRP A 46 -1.007 1.775 -7.288 1.00 0.00 C ATOM 715 NE1 TRP A 46 0.913 2.804 -7.808 1.00 0.00 N ATOM 716 CE2 TRP A 46 -0.435 3.004 -7.665 1.00 0.00 C ATOM 717 CE3 TRP A 46 -2.388 1.712 -7.076 1.00 0.00 C ATOM 718 CZ2 TRP A 46 -1.195 4.159 -7.837 1.00 0.00 C ATOM 719 CZ3 TRP A 46 -3.141 2.858 -7.246 1.00 0.00 C ATOM 720 CH2 TRP A 46 -2.544 4.067 -7.623 1.00 0.00 C ATOM 0 H TRP A 46 0.225 -3.073 -6.106 1.00 0.00 H new ATOM 0 HA TRP A 46 2.047 -0.778 -6.448 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.178 -1.214 -7.759 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.982 -0.770 -6.266 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.185 1.048 -7.571 1.00 0.00 H new ATOM 0 HE1 TRP A 46 1.593 3.516 -8.074 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.858 0.784 -6.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -0.737 5.093 -8.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -4.208 2.820 -7.085 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.160 4.945 -7.748 1.00 0.00 H new ATOM 731 N PHE A 47 1.655 0.381 -4.263 1.00 0.00 N ATOM 732 CA PHE A 47 1.647 0.908 -2.901 1.00 0.00 C ATOM 733 C PHE A 47 0.238 1.324 -2.469 1.00 0.00 C ATOM 734 O PHE A 47 -0.448 2.057 -3.181 1.00 0.00 O ATOM 735 CB PHE A 47 2.626 2.084 -2.779 1.00 0.00 C ATOM 736 CG PHE A 47 2.128 3.384 -3.358 1.00 0.00 C ATOM 737 CD1 PHE A 47 1.403 3.413 -4.540 1.00 0.00 C ATOM 738 CD2 PHE A 47 2.396 4.582 -2.714 1.00 0.00 C ATOM 739 CE1 PHE A 47 0.954 4.611 -5.064 1.00 0.00 C ATOM 740 CE2 PHE A 47 1.951 5.781 -3.235 1.00 0.00 C ATOM 741 CZ PHE A 47 1.229 5.796 -4.411 1.00 0.00 C ATOM 0 H PHE A 47 2.188 0.942 -4.927 1.00 0.00 H new ATOM 0 HA PHE A 47 1.972 0.113 -2.230 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.858 2.237 -1.725 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.559 1.815 -3.275 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.187 2.490 -5.057 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.960 4.578 -1.793 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.388 4.620 -5.984 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.168 6.707 -2.722 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.880 6.733 -4.820 1.00 0.00 H new ATOM 751 N PRO A 48 -0.218 0.847 -1.293 1.00 0.00 N ATOM 752 CA PRO A 48 -1.548 1.158 -0.772 1.00 0.00 C ATOM 753 C PRO A 48 -1.576 2.420 0.082 1.00 0.00 C ATOM 754 O PRO A 48 -2.551 2.680 0.784 1.00 0.00 O ATOM 755 CB PRO A 48 -1.845 -0.063 0.089 1.00 0.00 C ATOM 756 CG PRO A 48 -0.515 -0.465 0.638 1.00 0.00 C ATOM 757 CD PRO A 48 0.521 -0.047 -0.381 1.00 0.00 C ATOM 0 HA PRO A 48 -2.268 1.351 -1.567 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.548 0.175 0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.291 -0.865 -0.500 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.331 0.018 1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.477 -1.541 0.810 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.359 0.467 0.089 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.931 -0.907 -0.910 1.00 0.00 H new ATOM 765 N SER A 49 -0.500 3.194 0.021 1.00 0.00 N ATOM 766 CA SER A 49 -0.373 4.429 0.794 1.00 0.00 C ATOM 767 C SER A 49 -1.631 5.303 0.758 1.00 0.00 C ATOM 768 O SER A 49 -1.779 6.199 1.596 1.00 0.00 O ATOM 769 CB SER A 49 0.822 5.229 0.284 1.00 0.00 C ATOM 770 OG SER A 49 1.827 5.336 1.277 1.00 0.00 O ATOM 0 H SER A 49 0.310 2.986 -0.564 1.00 0.00 H new ATOM 0 HA SER A 49 -0.227 4.135 1.833 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.233 4.748 -0.603 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.495 6.225 -0.016 1.00 0.00 H new ATOM 0 HG SER A 49 2.582 5.852 0.924 1.00 0.00 H new ATOM 776 N ASN A 50 -2.534 5.050 -0.199 1.00 0.00 N ATOM 777 CA ASN A 50 -3.754 5.838 -0.335 1.00 0.00 C ATOM 778 C ASN A 50 -4.369 6.135 1.025 1.00 0.00 C ATOM 779 O ASN A 50 -4.914 7.216 1.246 1.00 0.00 O ATOM 780 CB ASN A 50 -4.745 5.087 -1.210 1.00 0.00 C ATOM 781 CG ASN A 50 -4.645 5.486 -2.665 1.00 0.00 C ATOM 782 OD1 ASN A 50 -3.713 5.094 -3.368 1.00 0.00 O ATOM 783 ND2 ASN A 50 -5.608 6.272 -3.126 1.00 0.00 N ATOM 0 H ASN A 50 -2.437 4.304 -0.888 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.505 6.791 -0.802 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.569 4.015 -1.117 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.757 5.276 -0.853 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.596 6.576 -4.100 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.361 6.572 -2.507 1.00 0.00 H new ATOM 790 N TYR A 51 -4.222 5.200 1.950 1.00 0.00 N ATOM 791 CA TYR A 51 -4.708 5.397 3.305 1.00 0.00 C ATOM 792 C TYR A 51 -3.977 4.462 4.256 1.00 0.00 C ATOM 793 O TYR A 51 -4.579 3.580 4.869 1.00 0.00 O ATOM 794 CB TYR A 51 -6.217 5.143 3.380 1.00 0.00 C ATOM 795 CG TYR A 51 -7.023 5.944 2.381 1.00 0.00 C ATOM 796 CD1 TYR A 51 -7.385 7.259 2.647 1.00 0.00 C ATOM 797 CD2 TYR A 51 -7.422 5.384 1.174 1.00 0.00 C ATOM 798 CE1 TYR A 51 -8.122 7.993 1.737 1.00 0.00 C ATOM 799 CE2 TYR A 51 -8.159 6.113 0.258 1.00 0.00 C ATOM 800 CZ TYR A 51 -8.506 7.416 0.545 1.00 0.00 C ATOM 801 OH TYR A 51 -9.240 8.144 -0.363 1.00 0.00 O ATOM 0 H TYR A 51 -3.771 4.300 1.787 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.517 6.430 3.596 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.406 4.082 3.217 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.566 5.378 4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.086 7.715 3.579 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.152 4.363 0.947 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.396 9.014 1.959 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.461 5.664 -0.677 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.427 7.591 -1.150 1.00 0.00 H new ATOM 811 N VAL A 52 -2.668 4.667 4.379 1.00 0.00 N ATOM 812 CA VAL A 52 -1.854 3.847 5.262 1.00 0.00 C ATOM 813 C VAL A 52 -0.821 4.671 6.021 1.00 0.00 C ATOM 814 O VAL A 52 -0.503 5.798 5.641 1.00 0.00 O ATOM 815 CB VAL A 52 -1.144 2.710 4.492 1.00 0.00 C ATOM 816 CG1 VAL A 52 -2.016 2.231 3.348 1.00 0.00 C ATOM 817 CG2 VAL A 52 0.220 3.153 3.975 1.00 0.00 C ATOM 0 H VAL A 52 -2.153 5.392 3.879 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.541 3.408 5.985 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.982 1.884 5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.506 1.430 2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.962 1.859 3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.208 3.059 2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.691 2.329 3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.096 4.001 3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.850 3.446 4.815 1.00 0.00 H new ATOM 827 N LEU A 53 -0.276 4.081 7.079 1.00 0.00 N ATOM 828 CA LEU A 53 0.749 4.730 7.874 1.00 0.00 C ATOM 829 C LEU A 53 2.110 4.157 7.505 1.00 0.00 C ATOM 830 O LEU A 53 2.348 2.967 7.676 1.00 0.00 O ATOM 831 CB LEU A 53 0.475 4.501 9.351 1.00 0.00 C ATOM 832 CG LEU A 53 1.445 5.181 10.297 1.00 0.00 C ATOM 833 CD1 LEU A 53 1.484 6.674 10.022 1.00 0.00 C ATOM 834 CD2 LEU A 53 1.060 4.903 11.741 1.00 0.00 C ATOM 0 H LEU A 53 -0.532 3.149 7.404 1.00 0.00 H new ATOM 0 HA LEU A 53 0.741 5.802 7.674 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.533 4.850 9.576 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.492 3.429 9.546 1.00 0.00 H new ATOM 0 HG LEU A 53 2.443 4.776 10.130 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.184 7.152 10.707 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.806 6.847 8.995 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.490 7.097 10.166 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.766 5.398 12.408 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.056 5.283 11.929 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.082 3.829 11.923 1.00 0.00 H new ATOM 846 N GLU A 54 2.994 4.997 6.985 1.00 0.00 N ATOM 847 CA GLU A 54 4.319 4.541 6.578 1.00 0.00 C ATOM 848 C GLU A 54 5.406 4.989 7.545 1.00 0.00 C ATOM 849 O GLU A 54 5.434 6.137 7.985 1.00 0.00 O ATOM 850 CB GLU A 54 4.637 5.042 5.171 1.00 0.00 C ATOM 851 CG GLU A 54 5.916 4.461 4.592 1.00 0.00 C ATOM 852 CD GLU A 54 6.985 5.513 4.362 1.00 0.00 C ATOM 853 OE1 GLU A 54 7.321 6.238 5.322 1.00 0.00 O ATOM 854 OE2 GLU A 54 7.485 5.611 3.222 1.00 0.00 O ATOM 0 H GLU A 54 2.821 5.991 6.835 1.00 0.00 H new ATOM 0 HA GLU A 54 4.302 3.451 6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.805 4.797 4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.718 6.129 5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.302 3.698 5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.690 3.966 3.648 1.00 0.00 H new ATOM 861 N GLU A 55 6.311 4.066 7.855 1.00 0.00 N ATOM 862 CA GLU A 55 7.418 4.340 8.750 1.00 0.00 C ATOM 863 C GLU A 55 8.734 3.932 8.095 1.00 0.00 C ATOM 864 O GLU A 55 8.956 2.753 7.814 1.00 0.00 O ATOM 865 CB GLU A 55 7.233 3.584 10.065 1.00 0.00 C ATOM 866 CG GLU A 55 5.787 3.347 10.431 1.00 0.00 C ATOM 867 CD GLU A 55 5.528 3.477 11.919 1.00 0.00 C ATOM 868 OE1 GLU A 55 6.432 3.136 12.711 1.00 0.00 O ATOM 869 OE2 GLU A 55 4.422 3.921 12.293 1.00 0.00 O ATOM 0 H GLU A 55 6.294 3.113 7.492 1.00 0.00 H new ATOM 0 HA GLU A 55 7.443 5.409 8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.743 2.623 9.996 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.714 4.144 10.867 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.160 4.059 9.894 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.492 2.351 10.101 1.00 0.00 H new ATOM 876 N VAL A 56 9.600 4.907 7.844 1.00 0.00 N ATOM 877 CA VAL A 56 10.885 4.637 7.212 1.00 0.00 C ATOM 878 C VAL A 56 11.922 4.195 8.237 1.00 0.00 C ATOM 879 O VAL A 56 12.773 4.980 8.654 1.00 0.00 O ATOM 880 CB VAL A 56 11.415 5.869 6.451 1.00 0.00 C ATOM 881 CG1 VAL A 56 12.519 5.465 5.485 1.00 0.00 C ATOM 882 CG2 VAL A 56 10.285 6.571 5.712 1.00 0.00 C ATOM 0 H VAL A 56 9.436 5.889 8.068 1.00 0.00 H new ATOM 0 HA VAL A 56 10.719 3.829 6.499 1.00 0.00 H new ATOM 0 HB VAL A 56 11.832 6.567 7.177 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.881 6.347 4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.340 5.012 6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.128 4.746 4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.680 7.437 5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.835 5.882 4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.530 6.897 6.427 1.00 0.00 H new ATOM 892 N ASP A 57 11.845 2.931 8.639 1.00 0.00 N ATOM 893 CA ASP A 57 12.775 2.378 9.614 1.00 0.00 C ATOM 894 C ASP A 57 14.194 2.350 9.056 1.00 0.00 C ATOM 895 O ASP A 57 14.571 1.324 8.451 1.00 0.00 O ATOM 896 CB ASP A 57 12.346 0.967 10.019 1.00 0.00 C ATOM 897 CG ASP A 57 13.132 0.440 11.203 1.00 0.00 C ATOM 898 OD1 ASP A 57 13.671 1.264 11.971 1.00 0.00 O ATOM 899 OD2 ASP A 57 13.208 -0.796 11.361 1.00 0.00 O ATOM 900 OXT ASP A 57 14.918 3.354 9.227 1.00 0.00 O ATOM 0 H ASP A 57 11.145 2.269 8.303 1.00 0.00 H new ATOM 0 HA ASP A 57 12.762 3.020 10.495 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.284 0.970 10.264 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.476 0.294 9.172 1.00 0.00 H new