USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 260 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 111 SER OG : rot -140:sc= 1.26 USER MOD Set 1.2: A 113 SER OG : rot -52:sc= 0.568 USER MOD Set 2.1: A 90 CYS SG : rot 152:sc= 2.34 USER MOD Set 2.2: A 92 MET CE :methyl -149:sc= -0.0769 (180deg=0) USER MOD Set 2.3: A 93 CYS SG : rot -21:sc= 1.39 USER MOD Set 2.4: A 110 CYS SG : rot 180:sc= 1.23 USER MOD Set 2.5: A 114 CYS SG : rot 159:sc= -1.58 USER MOD Single : A 98 THR OG1 : rot -91:sc= -2.54! USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 167:sc= -2.29! (180deg=-2.67!) USER MOD Single : A 115 SER OG : rot -73:sc= 0.219 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 92:sc= 0.371 USER MOD Single : A 121 ASN : amide:sc= -0.359 K(o=-0.36,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 86 56.549 14.784 1.527 1.00 0.00 N ATOM 40 CA GLU A 86 57.397 13.908 0.729 1.00 0.00 C ATOM 41 C GLU A 86 56.777 12.516 0.603 1.00 0.00 C ATOM 42 O GLU A 86 56.608 11.815 1.601 1.00 0.00 O ATOM 43 CB GLU A 86 58.786 13.801 1.363 1.00 0.00 C ATOM 44 CG GLU A 86 59.428 15.149 1.652 1.00 0.00 C ATOM 45 CD GLU A 86 60.915 15.160 1.356 1.00 0.00 C ATOM 46 OE1 GLU A 86 61.331 15.892 0.433 1.00 0.00 O ATOM 47 OE2 GLU A 86 61.663 14.437 2.047 1.00 0.00 O ATOM 0 HA GLU A 86 57.488 14.338 -0.268 1.00 0.00 H new ATOM 0 HB2 GLU A 86 58.709 13.237 2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 86 59.437 13.233 0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 86 58.936 15.917 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 86 59.267 15.407 2.699 1.00 0.00 H new ATOM 54 N PRO A 87 56.428 12.090 -0.626 1.00 0.00 N ATOM 55 CA PRO A 87 55.828 10.777 -0.867 1.00 0.00 C ATOM 56 C PRO A 87 56.848 9.648 -0.758 1.00 0.00 C ATOM 57 O PRO A 87 58.024 9.825 -1.078 1.00 0.00 O ATOM 58 CB PRO A 87 55.294 10.868 -2.308 1.00 0.00 C ATOM 59 CG PRO A 87 55.476 12.292 -2.726 1.00 0.00 C ATOM 60 CD PRO A 87 56.582 12.844 -1.876 1.00 0.00 C ATOM 0 HA PRO A 87 55.058 10.549 -0.130 1.00 0.00 H new ATOM 0 HB2 PRO A 87 55.839 10.195 -2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 87 54.244 10.579 -2.354 1.00 0.00 H new ATOM 0 HG2 PRO A 87 55.730 12.357 -3.784 1.00 0.00 H new ATOM 0 HG3 PRO A 87 54.556 12.859 -2.583 1.00 0.00 H new ATOM 0 HD2 PRO A 87 57.560 12.684 -2.329 1.00 0.00 H new ATOM 0 HD3 PRO A 87 56.476 13.917 -1.718 1.00 0.00 H new ATOM 68 N ALA A 88 56.386 8.486 -0.312 1.00 0.00 N ATOM 69 CA ALA A 88 57.248 7.320 -0.167 1.00 0.00 C ATOM 70 C ALA A 88 56.487 6.052 -0.540 1.00 0.00 C ATOM 71 O ALA A 88 55.326 5.892 -0.173 1.00 0.00 O ATOM 72 CB ALA A 88 57.781 7.230 1.258 1.00 0.00 C ATOM 0 H ALA A 88 55.415 8.326 -0.044 1.00 0.00 H new ATOM 0 HA ALA A 88 58.096 7.423 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 88 58.423 6.354 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 88 58.355 8.127 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 88 56.946 7.144 1.954 1.00 0.00 H new ATOM 78 N VAL A 89 57.128 5.168 -1.298 1.00 0.00 N ATOM 79 CA VAL A 89 56.481 3.935 -1.736 1.00 0.00 C ATOM 80 C VAL A 89 56.711 2.783 -0.757 1.00 0.00 C ATOM 81 O VAL A 89 57.834 2.546 -0.312 1.00 0.00 O ATOM 82 CB VAL A 89 56.982 3.510 -3.130 1.00 0.00 C ATOM 83 CG1 VAL A 89 56.136 2.371 -3.676 1.00 0.00 C ATOM 84 CG2 VAL A 89 56.975 4.695 -4.085 1.00 0.00 C ATOM 0 H VAL A 89 58.089 5.281 -1.620 1.00 0.00 H new ATOM 0 HA VAL A 89 55.413 4.149 -1.777 1.00 0.00 H new ATOM 0 HB VAL A 89 58.009 3.156 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 89 56.504 2.084 -4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 89 56.198 1.516 -3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 89 55.098 2.695 -3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 89 57.332 4.375 -5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 89 55.960 5.082 -4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 89 57.628 5.478 -3.699 1.00 0.00 H new ATOM 94 N CYS A 90 55.635 2.063 -0.437 1.00 0.00 N ATOM 95 CA CYS A 90 55.712 0.921 0.480 1.00 0.00 C ATOM 96 C CYS A 90 56.570 -0.196 -0.126 1.00 0.00 C ATOM 97 O CYS A 90 56.302 -0.661 -1.240 1.00 0.00 O ATOM 98 CB CYS A 90 54.307 0.420 0.817 1.00 0.00 C ATOM 99 SG CYS A 90 54.270 -1.131 1.743 1.00 0.00 S ATOM 0 H CYS A 90 54.699 2.249 -0.798 1.00 0.00 H new ATOM 0 HA CYS A 90 56.189 1.242 1.406 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.790 1.186 1.395 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.749 0.289 -0.110 1.00 0.00 H new ATOM 0 HG CYS A 90 53.196 -1.174 2.475 1.00 0.00 H new ATOM 104 N GLU A 91 57.598 -0.605 0.640 1.00 0.00 N ATOM 105 CA GLU A 91 58.567 -1.646 0.239 1.00 0.00 C ATOM 106 C GLU A 91 57.989 -3.061 0.176 1.00 0.00 C ATOM 107 O GLU A 91 58.723 -4.013 -0.084 1.00 0.00 O ATOM 108 CB GLU A 91 59.738 -1.659 1.223 1.00 0.00 C ATOM 109 CG GLU A 91 60.379 -0.303 1.436 1.00 0.00 C ATOM 110 CD GLU A 91 61.230 0.136 0.261 1.00 0.00 C ATOM 111 OE1 GLU A 91 60.913 1.183 -0.343 1.00 0.00 O ATOM 112 OE2 GLU A 91 62.214 -0.565 -0.055 1.00 0.00 O ATOM 0 H GLU A 91 57.783 -0.219 1.566 1.00 0.00 H new ATOM 0 HA GLU A 91 58.877 -1.381 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 91 59.388 -2.039 2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 91 60.495 -2.355 0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 91 59.600 0.439 1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 91 60.996 -0.335 2.334 1.00 0.00 H new ATOM 119 N MET A 92 56.700 -3.208 0.401 1.00 0.00 N ATOM 120 CA MET A 92 56.078 -4.526 0.352 1.00 0.00 C ATOM 121 C MET A 92 55.028 -4.559 -0.738 1.00 0.00 C ATOM 122 O MET A 92 55.021 -5.438 -1.600 1.00 0.00 O ATOM 123 CB MET A 92 55.440 -4.865 1.698 1.00 0.00 C ATOM 124 CG MET A 92 55.049 -6.327 1.834 1.00 0.00 C ATOM 125 SD MET A 92 53.368 -6.650 1.268 1.00 0.00 S ATOM 126 CE MET A 92 52.687 -7.493 2.694 1.00 0.00 C ATOM 0 H MET A 92 56.062 -2.442 0.618 1.00 0.00 H new ATOM 0 HA MET A 92 56.847 -5.267 0.133 1.00 0.00 H new ATOM 0 HB2 MET A 92 56.137 -4.608 2.496 1.00 0.00 H new ATOM 0 HB3 MET A 92 54.554 -4.246 1.837 1.00 0.00 H new ATOM 0 HG2 MET A 92 55.745 -6.940 1.262 1.00 0.00 H new ATOM 0 HG3 MET A 92 55.141 -6.629 2.877 1.00 0.00 H new ATOM 0 HE1 MET A 92 51.933 -8.210 2.367 1.00 0.00 H new ATOM 0 HE2 MET A 92 53.484 -8.019 3.221 1.00 0.00 H new ATOM 0 HE3 MET A 92 52.229 -6.764 3.363 1.00 0.00 H new ATOM 136 N CYS A 93 54.141 -3.586 -0.679 1.00 0.00 N ATOM 137 CA CYS A 93 53.065 -3.462 -1.634 1.00 0.00 C ATOM 138 C CYS A 93 53.430 -2.471 -2.740 1.00 0.00 C ATOM 139 O CYS A 93 53.213 -2.732 -3.923 1.00 0.00 O ATOM 140 CB CYS A 93 51.799 -2.986 -0.911 1.00 0.00 C ATOM 141 SG CYS A 93 51.489 -3.791 0.687 1.00 0.00 S ATOM 0 H CYS A 93 54.149 -2.858 0.036 1.00 0.00 H new ATOM 0 HA CYS A 93 52.888 -4.436 -2.091 1.00 0.00 H new ATOM 0 HB2 CYS A 93 51.871 -1.910 -0.752 1.00 0.00 H new ATOM 0 HB3 CYS A 93 50.940 -3.156 -1.561 1.00 0.00 H new ATOM 0 HG CYS A 93 52.128 -4.922 0.734 1.00 0.00 H new ATOM 146 N GLY A 94 53.926 -1.305 -2.332 1.00 0.00 N ATOM 147 CA GLY A 94 54.246 -0.256 -3.280 1.00 0.00 C ATOM 148 C GLY A 94 53.300 0.925 -3.119 1.00 0.00 C ATOM 149 O GLY A 94 53.334 1.876 -3.900 1.00 0.00 O ATOM 0 H GLY A 94 54.112 -1.070 -1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 94 55.274 0.073 -3.131 1.00 0.00 H new ATOM 0 HA3 GLY A 94 54.179 -0.645 -4.296 1.00 0.00 H new ATOM 153 N ILE A 95 52.462 0.854 -2.079 1.00 0.00 N ATOM 154 CA ILE A 95 51.502 1.914 -1.769 1.00 0.00 C ATOM 155 C ILE A 95 52.223 3.246 -1.697 1.00 0.00 C ATOM 156 O ILE A 95 53.426 3.320 -1.940 1.00 0.00 O ATOM 157 CB ILE A 95 50.746 1.666 -0.437 1.00 0.00 C ATOM 158 CG1 ILE A 95 50.546 0.170 -0.181 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.396 2.373 -0.451 1.00 0.00 C ATOM 160 CD1 ILE A 95 49.965 -0.575 -1.364 1.00 0.00 C ATOM 0 H ILE A 95 52.431 0.065 -1.434 1.00 0.00 H new ATOM 0 HA ILE A 95 50.760 1.921 -2.568 1.00 0.00 H new ATOM 0 HB ILE A 95 51.356 2.073 0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 95 51.505 -0.276 0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 95 49.887 0.042 0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 95 48.879 2.189 0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 95 49.548 3.445 -0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 95 48.794 1.992 -1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 95 49.851 -1.629 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 95 48.991 -0.155 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 95 50.634 -0.478 -2.219 1.00 0.00 H new ATOM 172 N VAL A 96 51.501 4.297 -1.367 1.00 0.00 N ATOM 173 CA VAL A 96 52.107 5.604 -1.278 1.00 0.00 C ATOM 174 C VAL A 96 51.592 6.367 -0.067 1.00 0.00 C ATOM 175 O VAL A 96 50.394 6.383 0.216 1.00 0.00 O ATOM 176 CB VAL A 96 51.869 6.412 -2.558 1.00 0.00 C ATOM 177 CG1 VAL A 96 52.892 7.527 -2.659 1.00 0.00 C ATOM 178 CG2 VAL A 96 51.942 5.514 -3.785 1.00 0.00 C ATOM 0 H VAL A 96 50.503 4.270 -1.158 1.00 0.00 H new ATOM 0 HA VAL A 96 53.181 5.459 -1.159 1.00 0.00 H new ATOM 0 HB VAL A 96 50.870 6.847 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 96 52.718 8.098 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 96 52.799 8.185 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 96 53.895 7.100 -2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 96 51.770 6.109 -4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 96 52.928 5.052 -3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 96 51.181 4.737 -3.713 1.00 0.00 H new ATOM 188 N GLY A 97 52.516 7.005 0.635 1.00 0.00 N ATOM 189 CA GLY A 97 52.159 7.778 1.806 1.00 0.00 C ATOM 190 C GLY A 97 53.106 8.929 2.058 1.00 0.00 C ATOM 191 O GLY A 97 54.232 8.935 1.562 1.00 0.00 O ATOM 0 H GLY A 97 53.512 7.001 0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.147 8.165 1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 97 52.148 7.124 2.678 1.00 0.00 H new ATOM 195 N THR A 98 52.672 9.887 2.864 1.00 0.00 N ATOM 196 CA THR A 98 53.520 11.011 3.213 1.00 0.00 C ATOM 197 C THR A 98 54.583 10.525 4.190 1.00 0.00 C ATOM 198 O THR A 98 54.336 9.599 4.963 1.00 0.00 O ATOM 199 CB THR A 98 52.697 12.143 3.833 1.00 0.00 C ATOM 200 OG1 THR A 98 51.754 11.631 4.755 1.00 0.00 O ATOM 201 CG2 THR A 98 51.940 12.961 2.809 1.00 0.00 C ATOM 0 H THR A 98 51.743 9.907 3.285 1.00 0.00 H new ATOM 0 HA THR A 98 53.993 11.406 2.314 1.00 0.00 H new ATOM 0 HB THR A 98 53.422 12.789 4.328 1.00 0.00 H new ATOM 0 HG1 THR A 98 50.909 11.450 4.292 1.00 0.00 H new ATOM 0 HG21 THR A 98 51.377 13.746 3.314 1.00 0.00 H new ATOM 0 HG22 THR A 98 52.645 13.412 2.110 1.00 0.00 H new ATOM 0 HG23 THR A 98 51.252 12.315 2.264 1.00 0.00 H new ATOM 209 N ARG A 99 55.766 11.122 4.147 1.00 0.00 N ATOM 210 CA ARG A 99 56.850 10.704 5.030 1.00 0.00 C ATOM 211 C ARG A 99 56.369 10.555 6.476 1.00 0.00 C ATOM 212 O ARG A 99 56.879 9.724 7.224 1.00 0.00 O ATOM 213 CB ARG A 99 58.030 11.682 4.938 1.00 0.00 C ATOM 214 CG ARG A 99 57.872 12.944 5.773 1.00 0.00 C ATOM 215 CD ARG A 99 59.091 13.187 6.649 1.00 0.00 C ATOM 216 NE ARG A 99 60.299 13.415 5.858 1.00 0.00 N ATOM 217 CZ ARG A 99 61.230 12.489 5.630 1.00 0.00 C ATOM 218 NH1 ARG A 99 61.102 11.263 6.124 1.00 0.00 N ATOM 219 NH2 ARG A 99 62.296 12.791 4.900 1.00 0.00 N ATOM 0 H ARG A 99 56.000 11.890 3.518 1.00 0.00 H new ATOM 0 HA ARG A 99 57.192 9.724 4.698 1.00 0.00 H new ATOM 0 HB2 ARG A 99 58.938 11.166 5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 99 58.169 11.967 3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 99 57.718 13.800 5.116 1.00 0.00 H new ATOM 0 HG3 ARG A 99 56.984 12.859 6.399 1.00 0.00 H new ATOM 0 HD2 ARG A 99 58.910 14.049 7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 99 59.243 12.329 7.304 1.00 0.00 H new ATOM 0 HE ARG A 99 60.438 14.342 5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 99 60.285 11.022 6.685 1.00 0.00 H new ATOM 0 HH12 ARG A 99 61.821 10.563 5.943 1.00 0.00 H new ATOM 0 HH21 ARG A 99 62.401 13.730 4.515 1.00 0.00 H new ATOM 0 HH22 ARG A 99 63.010 12.084 4.724 1.00 0.00 H new ATOM 233 N GLU A 100 55.383 11.358 6.863 1.00 0.00 N ATOM 234 CA GLU A 100 54.843 11.303 8.218 1.00 0.00 C ATOM 235 C GLU A 100 53.752 10.241 8.332 1.00 0.00 C ATOM 236 O GLU A 100 53.655 9.541 9.341 1.00 0.00 O ATOM 237 CB GLU A 100 54.284 12.669 8.623 1.00 0.00 C ATOM 238 CG GLU A 100 55.342 13.634 9.132 1.00 0.00 C ATOM 239 CD GLU A 100 54.776 15.004 9.452 1.00 0.00 C ATOM 240 OE1 GLU A 100 54.906 15.913 8.605 1.00 0.00 O ATOM 241 OE2 GLU A 100 54.203 15.168 10.549 1.00 0.00 O ATOM 0 H GLU A 100 54.942 12.053 6.260 1.00 0.00 H new ATOM 0 HA GLU A 100 55.656 11.034 8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 100 53.780 13.115 7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 100 53.530 12.528 9.397 1.00 0.00 H new ATOM 0 HG2 GLU A 100 55.807 13.219 10.026 1.00 0.00 H new ATOM 0 HG3 GLU A 100 56.127 13.735 8.382 1.00 0.00 H new ATOM 248 N ALA A 101 52.931 10.131 7.294 1.00 0.00 N ATOM 249 CA ALA A 101 51.841 9.160 7.274 1.00 0.00 C ATOM 250 C ALA A 101 52.357 7.731 7.409 1.00 0.00 C ATOM 251 O ALA A 101 51.624 6.835 7.826 1.00 0.00 O ATOM 252 CB ALA A 101 51.039 9.302 5.990 1.00 0.00 C ATOM 0 H ALA A 101 52.999 10.704 6.453 1.00 0.00 H new ATOM 0 HA ALA A 101 51.198 9.366 8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 101 50.228 8.573 5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.623 10.308 5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.690 9.127 5.133 1.00 0.00 H new ATOM 258 N PHE A 102 53.614 7.520 7.039 1.00 0.00 N ATOM 259 CA PHE A 102 54.215 6.194 7.105 1.00 0.00 C ATOM 260 C PHE A 102 54.501 5.773 8.540 1.00 0.00 C ATOM 261 O PHE A 102 54.568 6.605 9.445 1.00 0.00 O ATOM 262 CB PHE A 102 55.505 6.157 6.289 1.00 0.00 C ATOM 263 CG PHE A 102 55.286 5.710 4.878 1.00 0.00 C ATOM 264 CD1 PHE A 102 55.090 4.372 4.587 1.00 0.00 C ATOM 265 CD2 PHE A 102 55.255 6.630 3.848 1.00 0.00 C ATOM 266 CE1 PHE A 102 54.864 3.956 3.292 1.00 0.00 C ATOM 267 CE2 PHE A 102 55.033 6.220 2.547 1.00 0.00 C ATOM 268 CZ PHE A 102 54.835 4.879 2.271 1.00 0.00 C ATOM 0 H PHE A 102 54.236 8.249 6.691 1.00 0.00 H new ATOM 0 HA PHE A 102 53.497 5.489 6.685 1.00 0.00 H new ATOM 0 HB2 PHE A 102 55.956 7.149 6.285 1.00 0.00 H new ATOM 0 HB3 PHE A 102 56.216 5.486 6.772 1.00 0.00 H new ATOM 0 HD1 PHE A 102 55.114 3.644 5.384 1.00 0.00 H new ATOM 0 HD2 PHE A 102 55.405 7.678 4.061 1.00 0.00 H new ATOM 0 HE1 PHE A 102 54.710 2.908 3.079 1.00 0.00 H new ATOM 0 HE2 PHE A 102 55.014 6.945 1.747 1.00 0.00 H new ATOM 0 HZ PHE A 102 54.658 4.556 1.256 1.00 0.00 H new ATOM 278 N PHE A 103 54.676 4.468 8.734 1.00 0.00 N ATOM 279 CA PHE A 103 54.964 3.921 10.052 1.00 0.00 C ATOM 280 C PHE A 103 56.241 4.543 10.614 1.00 0.00 C ATOM 281 O PHE A 103 57.350 4.190 10.212 1.00 0.00 O ATOM 282 CB PHE A 103 55.082 2.394 9.973 1.00 0.00 C ATOM 283 CG PHE A 103 55.311 1.727 11.301 1.00 0.00 C ATOM 284 CD1 PHE A 103 54.794 2.269 12.469 1.00 0.00 C ATOM 285 CD2 PHE A 103 56.038 0.550 11.380 1.00 0.00 C ATOM 286 CE1 PHE A 103 54.999 1.650 13.687 1.00 0.00 C ATOM 287 CE2 PHE A 103 56.247 -0.072 12.595 1.00 0.00 C ATOM 288 CZ PHE A 103 55.727 0.478 13.750 1.00 0.00 C ATOM 0 H PHE A 103 54.623 3.771 7.992 1.00 0.00 H new ATOM 0 HA PHE A 103 54.144 4.165 10.727 1.00 0.00 H new ATOM 0 HB2 PHE A 103 54.171 1.992 9.529 1.00 0.00 H new ATOM 0 HB3 PHE A 103 55.903 2.138 9.303 1.00 0.00 H new ATOM 0 HD1 PHE A 103 54.225 3.186 12.425 1.00 0.00 H new ATOM 0 HD2 PHE A 103 56.446 0.114 10.480 1.00 0.00 H new ATOM 0 HE1 PHE A 103 54.591 2.082 14.589 1.00 0.00 H new ATOM 0 HE2 PHE A 103 56.817 -0.988 12.642 1.00 0.00 H new ATOM 0 HZ PHE A 103 55.889 -0.007 14.701 1.00 0.00 H new ATOM 298 N SER A 104 56.060 5.492 11.529 1.00 0.00 N ATOM 299 CA SER A 104 57.169 6.215 12.156 1.00 0.00 C ATOM 300 C SER A 104 58.372 5.321 12.460 1.00 0.00 C ATOM 301 O SER A 104 59.509 5.793 12.481 1.00 0.00 O ATOM 302 CB SER A 104 56.689 6.882 13.446 1.00 0.00 C ATOM 303 OG SER A 104 56.425 5.919 14.451 1.00 0.00 O ATOM 0 H SER A 104 55.140 5.784 11.859 1.00 0.00 H new ATOM 0 HA SER A 104 57.501 6.965 11.438 1.00 0.00 H new ATOM 0 HB2 SER A 104 57.445 7.583 13.800 1.00 0.00 H new ATOM 0 HB3 SER A 104 55.787 7.460 13.246 1.00 0.00 H new ATOM 0 HG SER A 104 56.121 6.371 15.266 1.00 0.00 H new ATOM 309 N LYS A 105 58.124 4.040 12.714 1.00 0.00 N ATOM 310 CA LYS A 105 59.202 3.107 13.037 1.00 0.00 C ATOM 311 C LYS A 105 60.350 3.181 12.028 1.00 0.00 C ATOM 312 O LYS A 105 61.486 3.482 12.394 1.00 0.00 O ATOM 313 CB LYS A 105 58.662 1.677 13.098 1.00 0.00 C ATOM 314 CG LYS A 105 59.727 0.634 13.402 1.00 0.00 C ATOM 315 CD LYS A 105 59.200 -0.448 14.331 1.00 0.00 C ATOM 316 CE LYS A 105 60.030 -1.717 14.235 1.00 0.00 C ATOM 317 NZ LYS A 105 59.716 -2.670 15.335 1.00 0.00 N ATOM 0 H LYS A 105 57.193 3.624 12.703 1.00 0.00 H new ATOM 0 HA LYS A 105 59.596 3.395 14.012 1.00 0.00 H new ATOM 0 HB2 LYS A 105 57.885 1.624 13.861 1.00 0.00 H new ATOM 0 HB3 LYS A 105 58.190 1.435 12.146 1.00 0.00 H new ATOM 0 HG2 LYS A 105 60.070 0.181 12.472 1.00 0.00 H new ATOM 0 HG3 LYS A 105 60.591 1.117 13.858 1.00 0.00 H new ATOM 0 HD2 LYS A 105 59.209 -0.083 15.358 1.00 0.00 H new ATOM 0 HD3 LYS A 105 58.163 -0.671 14.081 1.00 0.00 H new ATOM 0 HE2 LYS A 105 59.847 -2.198 13.274 1.00 0.00 H new ATOM 0 HE3 LYS A 105 61.089 -1.461 14.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 60.303 -3.523 15.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 59.914 -2.220 16.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 58.711 -2.934 15.289 1.00 0.00 H new ATOM 331 N THR A 106 60.056 2.893 10.763 1.00 0.00 N ATOM 332 CA THR A 106 61.084 2.917 9.722 1.00 0.00 C ATOM 333 C THR A 106 60.671 3.769 8.522 1.00 0.00 C ATOM 334 O THR A 106 61.523 4.259 7.780 1.00 0.00 O ATOM 335 CB THR A 106 61.395 1.494 9.259 1.00 0.00 C ATOM 336 OG1 THR A 106 60.214 0.713 9.210 1.00 0.00 O ATOM 337 CG2 THR A 106 62.382 0.777 10.154 1.00 0.00 C ATOM 0 H THR A 106 59.124 2.642 10.434 1.00 0.00 H new ATOM 0 HA THR A 106 61.975 3.369 10.158 1.00 0.00 H new ATOM 0 HB THR A 106 61.838 1.602 8.269 1.00 0.00 H new ATOM 0 HG1 THR A 106 60.434 -0.194 8.910 1.00 0.00 H new ATOM 0 HG21 THR A 106 62.559 -0.227 9.769 1.00 0.00 H new ATOM 0 HG22 THR A 106 63.322 1.329 10.174 1.00 0.00 H new ATOM 0 HG23 THR A 106 61.977 0.713 11.164 1.00 0.00 H new ATOM 345 N LYS A 107 59.367 3.935 8.326 1.00 0.00 N ATOM 346 CA LYS A 107 58.854 4.719 7.206 1.00 0.00 C ATOM 347 C LYS A 107 59.087 3.999 5.880 1.00 0.00 C ATOM 348 O LYS A 107 59.105 4.625 4.820 1.00 0.00 O ATOM 349 CB LYS A 107 59.514 6.098 7.167 1.00 0.00 C ATOM 350 CG LYS A 107 58.533 7.249 7.305 1.00 0.00 C ATOM 351 CD LYS A 107 59.131 8.378 8.119 1.00 0.00 C ATOM 352 CE LYS A 107 58.665 8.330 9.565 1.00 0.00 C ATOM 353 NZ LYS A 107 59.475 7.379 10.376 1.00 0.00 N ATOM 0 H LYS A 107 58.646 3.538 8.928 1.00 0.00 H new ATOM 0 HA LYS A 107 57.781 4.842 7.352 1.00 0.00 H new ATOM 0 HB2 LYS A 107 60.250 6.161 7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 107 60.056 6.205 6.227 1.00 0.00 H new ATOM 0 HG2 LYS A 107 58.256 7.616 6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 107 57.618 6.897 7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 107 60.219 8.317 8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 107 58.851 9.334 7.677 1.00 0.00 H new ATOM 0 HE2 LYS A 107 58.730 9.327 10.001 1.00 0.00 H new ATOM 0 HE3 LYS A 107 57.616 8.035 9.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 59.281 7.531 11.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 59.225 6.403 10.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 60.486 7.538 10.190 1.00 0.00 H new ATOM 367 N ARG A 108 59.271 2.683 5.943 1.00 0.00 N ATOM 368 CA ARG A 108 59.510 1.890 4.744 1.00 0.00 C ATOM 369 C ARG A 108 58.322 0.984 4.424 1.00 0.00 C ATOM 370 O ARG A 108 58.275 0.367 3.360 1.00 0.00 O ATOM 371 CB ARG A 108 60.774 1.044 4.915 1.00 0.00 C ATOM 372 CG ARG A 108 62.062 1.840 4.788 1.00 0.00 C ATOM 373 CD ARG A 108 63.186 1.217 5.601 1.00 0.00 C ATOM 374 NE ARG A 108 63.308 -0.219 5.358 1.00 0.00 N ATOM 375 CZ ARG A 108 64.313 -0.965 5.811 1.00 0.00 C ATOM 376 NH1 ARG A 108 65.284 -0.416 6.531 1.00 0.00 N ATOM 377 NH2 ARG A 108 64.348 -2.263 5.545 1.00 0.00 N ATOM 0 H ARG A 108 59.259 2.146 6.810 1.00 0.00 H new ATOM 0 HA ARG A 108 59.643 2.581 3.911 1.00 0.00 H new ATOM 0 HB2 ARG A 108 60.749 0.563 5.893 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.773 0.250 4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 108 62.356 1.893 3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 108 61.893 2.863 5.124 1.00 0.00 H new ATOM 0 HD2 ARG A 108 64.127 1.708 5.353 1.00 0.00 H new ATOM 0 HD3 ARG A 108 63.005 1.391 6.662 1.00 0.00 H new ATOM 0 HE ARG A 108 62.580 -0.676 4.809 1.00 0.00 H new ATOM 0 HH11 ARG A 108 65.262 0.582 6.740 1.00 0.00 H new ATOM 0 HH12 ARG A 108 66.052 -0.992 6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 108 63.605 -2.691 4.993 1.00 0.00 H new ATOM 0 HH22 ARG A 108 65.118 -2.834 5.892 1.00 0.00 H new ATOM 391 N PHE A 109 57.367 0.897 5.345 1.00 0.00 N ATOM 392 CA PHE A 109 56.194 0.054 5.144 1.00 0.00 C ATOM 393 C PHE A 109 54.912 0.838 5.400 1.00 0.00 C ATOM 394 O PHE A 109 54.903 1.792 6.175 1.00 0.00 O ATOM 395 CB PHE A 109 56.291 -1.173 6.045 1.00 0.00 C ATOM 396 CG PHE A 109 57.603 -1.885 5.885 1.00 0.00 C ATOM 397 CD1 PHE A 109 58.466 -2.041 6.957 1.00 0.00 C ATOM 398 CD2 PHE A 109 57.980 -2.384 4.649 1.00 0.00 C ATOM 399 CE1 PHE A 109 59.680 -2.682 6.799 1.00 0.00 C ATOM 400 CE2 PHE A 109 59.191 -3.026 4.485 1.00 0.00 C ATOM 401 CZ PHE A 109 60.042 -3.175 5.559 1.00 0.00 C ATOM 0 H PHE A 109 57.382 1.397 6.234 1.00 0.00 H new ATOM 0 HA PHE A 109 56.163 -0.279 4.107 1.00 0.00 H new ATOM 0 HB2 PHE A 109 56.167 -0.870 7.085 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.476 -1.858 5.813 1.00 0.00 H new ATOM 0 HD1 PHE A 109 58.187 -1.657 7.927 1.00 0.00 H new ATOM 0 HD2 PHE A 109 57.318 -2.269 3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 109 60.345 -2.798 7.642 1.00 0.00 H new ATOM 0 HE2 PHE A 109 59.471 -3.411 3.516 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.990 -3.676 5.432 1.00 0.00 H new ATOM 411 N CYS A 110 53.835 0.442 4.728 1.00 0.00 N ATOM 412 CA CYS A 110 52.557 1.131 4.862 1.00 0.00 C ATOM 413 C CYS A 110 52.025 1.086 6.290 1.00 0.00 C ATOM 414 O CYS A 110 51.271 1.971 6.696 1.00 0.00 O ATOM 415 CB CYS A 110 51.515 0.561 3.888 1.00 0.00 C ATOM 416 SG CYS A 110 51.442 -1.247 3.812 1.00 0.00 S ATOM 0 H CYS A 110 53.822 -0.351 4.087 1.00 0.00 H new ATOM 0 HA CYS A 110 52.738 2.176 4.610 1.00 0.00 H new ATOM 0 HB2 CYS A 110 50.532 0.937 4.171 1.00 0.00 H new ATOM 0 HB3 CYS A 110 51.727 0.943 2.889 1.00 0.00 H new ATOM 0 HG CYS A 110 50.528 -1.609 2.961 1.00 0.00 H new ATOM 421 N SER A 111 52.394 0.062 7.054 1.00 0.00 N ATOM 422 CA SER A 111 51.917 -0.062 8.424 1.00 0.00 C ATOM 423 C SER A 111 52.811 -0.995 9.230 1.00 0.00 C ATOM 424 O SER A 111 53.501 -1.846 8.669 1.00 0.00 O ATOM 425 CB SER A 111 50.489 -0.608 8.431 1.00 0.00 C ATOM 426 OG SER A 111 50.489 -2.020 8.270 1.00 0.00 O ATOM 0 H SER A 111 53.016 -0.687 6.750 1.00 0.00 H new ATOM 0 HA SER A 111 51.939 0.928 8.880 1.00 0.00 H new ATOM 0 HB2 SER A 111 49.998 -0.344 9.368 1.00 0.00 H new ATOM 0 HB3 SER A 111 49.914 -0.146 7.629 1.00 0.00 H new ATOM 0 HG SER A 111 49.753 -2.282 7.679 1.00 0.00 H new ATOM 432 N VAL A 112 52.780 -0.844 10.550 1.00 0.00 N ATOM 433 CA VAL A 112 53.576 -1.691 11.428 1.00 0.00 C ATOM 434 C VAL A 112 53.308 -3.164 11.130 1.00 0.00 C ATOM 435 O VAL A 112 54.192 -4.010 11.267 1.00 0.00 O ATOM 436 CB VAL A 112 53.276 -1.408 12.913 1.00 0.00 C ATOM 437 CG1 VAL A 112 51.817 -1.697 13.232 1.00 0.00 C ATOM 438 CG2 VAL A 112 54.198 -2.220 13.810 1.00 0.00 C ATOM 0 H VAL A 112 52.214 -0.146 11.033 1.00 0.00 H new ATOM 0 HA VAL A 112 54.625 -1.462 11.239 1.00 0.00 H new ATOM 0 HB VAL A 112 53.461 -0.351 13.104 1.00 0.00 H new ATOM 0 HG11 VAL A 112 51.627 -1.491 14.285 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.178 -1.064 12.617 1.00 0.00 H new ATOM 0 HG13 VAL A 112 51.599 -2.744 13.023 1.00 0.00 H new ATOM 0 HG21 VAL A 112 53.971 -2.006 14.854 1.00 0.00 H new ATOM 0 HG22 VAL A 112 54.051 -3.283 13.617 1.00 0.00 H new ATOM 0 HG23 VAL A 112 55.234 -1.954 13.603 1.00 0.00 H new ATOM 448 N SER A 113 52.079 -3.455 10.706 1.00 0.00 N ATOM 449 CA SER A 113 51.686 -4.817 10.370 1.00 0.00 C ATOM 450 C SER A 113 52.418 -5.289 9.119 1.00 0.00 C ATOM 451 O SER A 113 52.979 -6.385 9.091 1.00 0.00 O ATOM 452 CB SER A 113 50.173 -4.899 10.154 1.00 0.00 C ATOM 453 OG SER A 113 49.812 -4.411 8.874 1.00 0.00 O ATOM 0 H SER A 113 51.339 -2.763 10.588 1.00 0.00 H new ATOM 0 HA SER A 113 51.957 -5.467 11.202 1.00 0.00 H new ATOM 0 HB2 SER A 113 49.843 -5.933 10.258 1.00 0.00 H new ATOM 0 HB3 SER A 113 49.661 -4.322 10.924 1.00 0.00 H new ATOM 0 HG SER A 113 50.197 -3.519 8.743 1.00 0.00 H new ATOM 459 N CYS A 114 52.420 -4.452 8.084 1.00 0.00 N ATOM 460 CA CYS A 114 53.102 -4.795 6.841 1.00 0.00 C ATOM 461 C CYS A 114 54.577 -5.080 7.109 1.00 0.00 C ATOM 462 O CYS A 114 55.140 -6.042 6.588 1.00 0.00 O ATOM 463 CB CYS A 114 52.962 -3.666 5.818 1.00 0.00 C ATOM 464 SG CYS A 114 53.357 -4.156 4.123 1.00 0.00 S ATOM 0 H CYS A 114 51.962 -3.541 8.081 1.00 0.00 H new ATOM 0 HA CYS A 114 52.637 -5.692 6.431 1.00 0.00 H new ATOM 0 HB2 CYS A 114 51.940 -3.288 5.847 1.00 0.00 H new ATOM 0 HB3 CYS A 114 53.615 -2.843 6.109 1.00 0.00 H new ATOM 0 HG CYS A 114 52.810 -3.320 3.291 1.00 0.00 H new ATOM 469 N SER A 115 55.191 -4.236 7.935 1.00 0.00 N ATOM 470 CA SER A 115 56.598 -4.392 8.289 1.00 0.00 C ATOM 471 C SER A 115 56.847 -5.764 8.905 1.00 0.00 C ATOM 472 O SER A 115 57.610 -6.570 8.369 1.00 0.00 O ATOM 473 CB SER A 115 57.023 -3.296 9.268 1.00 0.00 C ATOM 474 OG SER A 115 56.537 -3.556 10.573 1.00 0.00 O ATOM 0 H SER A 115 54.734 -3.436 8.372 1.00 0.00 H new ATOM 0 HA SER A 115 57.192 -4.305 7.379 1.00 0.00 H new ATOM 0 HB2 SER A 115 58.111 -3.226 9.290 1.00 0.00 H new ATOM 0 HB3 SER A 115 56.649 -2.332 8.923 1.00 0.00 H new ATOM 0 HG SER A 115 55.570 -3.398 10.600 1.00 0.00 H new ATOM 480 N ARG A 116 56.187 -6.027 10.030 1.00 0.00 N ATOM 481 CA ARG A 116 56.330 -7.309 10.710 1.00 0.00 C ATOM 482 C ARG A 116 56.028 -8.451 9.745 1.00 0.00 C ATOM 483 O ARG A 116 56.525 -9.565 9.906 1.00 0.00 O ATOM 484 CB ARG A 116 55.408 -7.387 11.930 1.00 0.00 C ATOM 485 CG ARG A 116 53.953 -7.082 11.619 1.00 0.00 C ATOM 486 CD ARG A 116 53.142 -6.871 12.889 1.00 0.00 C ATOM 487 NE ARG A 116 53.350 -7.944 13.859 1.00 0.00 N ATOM 488 CZ ARG A 116 52.661 -8.061 14.992 1.00 0.00 C ATOM 489 NH1 ARG A 116 51.721 -7.176 15.300 1.00 0.00 N ATOM 490 NH2 ARG A 116 52.913 -9.066 15.820 1.00 0.00 N ATOM 0 H ARG A 116 55.552 -5.373 10.487 1.00 0.00 H new ATOM 0 HA ARG A 116 57.359 -7.400 11.056 1.00 0.00 H new ATOM 0 HB2 ARG A 116 55.476 -8.385 12.362 1.00 0.00 H new ATOM 0 HB3 ARG A 116 55.762 -6.687 12.687 1.00 0.00 H new ATOM 0 HG2 ARG A 116 53.893 -6.190 10.996 1.00 0.00 H new ATOM 0 HG3 ARG A 116 53.523 -7.902 11.044 1.00 0.00 H new ATOM 0 HD2 ARG A 116 53.417 -5.917 13.340 1.00 0.00 H new ATOM 0 HD3 ARG A 116 52.083 -6.811 12.637 1.00 0.00 H new ATOM 0 HE ARG A 116 54.064 -8.643 13.656 1.00 0.00 H new ATOM 0 HH11 ARG A 116 51.523 -6.401 14.667 1.00 0.00 H new ATOM 0 HH12 ARG A 116 51.196 -7.271 16.170 1.00 0.00 H new ATOM 0 HH21 ARG A 116 53.634 -9.749 15.589 1.00 0.00 H new ATOM 0 HH22 ARG A 116 52.385 -9.156 16.688 1.00 0.00 H new ATOM 504 N SER A 117 55.220 -8.155 8.728 1.00 0.00 N ATOM 505 CA SER A 117 54.864 -9.145 7.722 1.00 0.00 C ATOM 506 C SER A 117 56.056 -9.428 6.814 1.00 0.00 C ATOM 507 O SER A 117 56.549 -10.554 6.755 1.00 0.00 O ATOM 508 CB SER A 117 53.676 -8.657 6.890 1.00 0.00 C ATOM 509 OG SER A 117 52.813 -9.729 6.554 1.00 0.00 O ATOM 0 H SER A 117 54.801 -7.236 8.582 1.00 0.00 H new ATOM 0 HA SER A 117 54.581 -10.067 8.230 1.00 0.00 H new ATOM 0 HB2 SER A 117 53.123 -7.902 7.449 1.00 0.00 H new ATOM 0 HB3 SER A 117 54.038 -8.178 5.980 1.00 0.00 H new ATOM 0 HG SER A 117 52.061 -9.390 6.024 1.00 0.00 H new ATOM 515 N TYR A 118 56.516 -8.397 6.104 1.00 0.00 N ATOM 516 CA TYR A 118 57.654 -8.525 5.193 1.00 0.00 C ATOM 517 C TYR A 118 58.809 -9.282 5.840 1.00 0.00 C ATOM 518 O TYR A 118 59.428 -10.147 5.221 1.00 0.00 O ATOM 519 CB TYR A 118 58.132 -7.128 4.765 1.00 0.00 C ATOM 520 CG TYR A 118 59.037 -7.107 3.544 1.00 0.00 C ATOM 521 CD1 TYR A 118 59.686 -8.254 3.103 1.00 0.00 C ATOM 522 CD2 TYR A 118 59.244 -5.929 2.834 1.00 0.00 C ATOM 523 CE1 TYR A 118 60.511 -8.229 1.994 1.00 0.00 C ATOM 524 CE2 TYR A 118 60.067 -5.897 1.725 1.00 0.00 C ATOM 525 CZ TYR A 118 60.698 -7.049 1.309 1.00 0.00 C ATOM 526 OH TYR A 118 61.517 -7.020 0.205 1.00 0.00 O ATOM 0 H TYR A 118 56.116 -7.460 6.143 1.00 0.00 H new ATOM 0 HA TYR A 118 57.325 -9.092 4.322 1.00 0.00 H new ATOM 0 HB2 TYR A 118 57.259 -6.508 4.563 1.00 0.00 H new ATOM 0 HB3 TYR A 118 58.662 -6.670 5.600 1.00 0.00 H new ATOM 0 HD1 TYR A 118 59.543 -9.182 3.637 1.00 0.00 H new ATOM 0 HD2 TYR A 118 58.752 -5.023 3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 118 61.007 -9.131 1.666 1.00 0.00 H new ATOM 0 HE2 TYR A 118 60.215 -4.973 1.186 1.00 0.00 H new ATOM 0 HH TYR A 118 61.539 -6.112 -0.162 1.00 0.00 H new ATOM 536 N SER A 119 59.099 -8.951 7.083 1.00 0.00 N ATOM 537 CA SER A 119 60.188 -9.594 7.800 1.00 0.00 C ATOM 538 C SER A 119 59.869 -11.048 8.122 1.00 0.00 C ATOM 539 O SER A 119 60.644 -11.947 7.799 1.00 0.00 O ATOM 540 CB SER A 119 60.496 -8.817 9.074 1.00 0.00 C ATOM 541 OG SER A 119 61.250 -9.598 9.985 1.00 0.00 O ATOM 0 H SER A 119 58.598 -8.242 7.619 1.00 0.00 H new ATOM 0 HA SER A 119 61.067 -9.591 7.156 1.00 0.00 H new ATOM 0 HB2 SER A 119 61.048 -7.911 8.825 1.00 0.00 H new ATOM 0 HB3 SER A 119 59.564 -8.503 9.545 1.00 0.00 H new ATOM 0 HG SER A 119 61.434 -9.073 10.792 1.00 0.00 H new ATOM 547 N SER A 120 58.732 -11.274 8.765 1.00 0.00 N ATOM 548 CA SER A 120 58.319 -12.624 9.139 1.00 0.00 C ATOM 549 C SER A 120 57.948 -13.474 7.920 1.00 0.00 C ATOM 550 O SER A 120 57.580 -14.640 8.065 1.00 0.00 O ATOM 551 CB SER A 120 57.133 -12.561 10.103 1.00 0.00 C ATOM 552 OG SER A 120 57.489 -11.907 11.308 1.00 0.00 O ATOM 0 H SER A 120 58.077 -10.542 9.040 1.00 0.00 H new ATOM 0 HA SER A 120 59.170 -13.099 9.627 1.00 0.00 H new ATOM 0 HB2 SER A 120 56.304 -12.034 9.631 1.00 0.00 H new ATOM 0 HB3 SER A 120 56.785 -13.570 10.323 1.00 0.00 H new ATOM 0 HG SER A 120 57.291 -10.950 11.232 1.00 0.00 H new ATOM 558 N ASN A 121 58.048 -12.900 6.724 1.00 0.00 N ATOM 559 CA ASN A 121 57.724 -13.630 5.503 1.00 0.00 C ATOM 560 C ASN A 121 58.963 -14.317 4.927 1.00 0.00 C ATOM 561 O ASN A 121 58.859 -15.135 4.012 1.00 0.00 O ATOM 562 CB ASN A 121 57.116 -12.684 4.464 1.00 0.00 C ATOM 563 CG ASN A 121 55.762 -13.157 3.971 1.00 0.00 C ATOM 564 OD1 ASN A 121 55.191 -14.109 4.504 1.00 0.00 O ATOM 565 ND2 ASN A 121 55.240 -12.493 2.947 1.00 0.00 N ATOM 0 H ASN A 121 58.349 -11.937 6.575 1.00 0.00 H new ATOM 0 HA ASN A 121 56.994 -14.399 5.754 1.00 0.00 H new ATOM 0 HB2 ASN A 121 57.014 -11.689 4.898 1.00 0.00 H new ATOM 0 HB3 ASN A 121 57.796 -12.594 3.617 1.00 0.00 H new ATOM 0 HD21 ASN A 121 54.332 -12.766 2.572 1.00 0.00 H new ATOM 0 HD22 ASN A 121 55.747 -11.710 2.535 1.00 0.00 H new