USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=15 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 90 CYS SG : rot 150:sc= 1.16 USER MOD Set 1.2: A 93 CYS SG : rot 69:sc= 0.142 USER MOD Set 1.3: A 110 CYS SG : rot 180:sc= 0.772 USER MOD Set 1.4: A 111 SER OG : rot -149:sc= 1.11 USER MOD Set 1.5: A 113 SER OG : rot -25:sc= 0.905 USER MOD Set 1.6: A 114 CYS SG : rot 151:sc= 0.3 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 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+ 158:sc= -0.709 (180deg=-2.07!) USER MOD Single : A 115 SER OG : rot -95:sc= 0.804 USER MOD Single : A 117 SER OG : rot 87:sc= 0.222 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.0613 USER MOD Single : A 119 SER OG : rot 180:sc= -0.243 USER MOD Single : A 120 SER OG : rot -44:sc= 0.0384 USER MOD Single : A 121 ASN : amide:sc=-0.00601 X(o=-0.006,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 86 57.915 14.493 1.561 1.00 0.00 N ATOM 40 CA GLU A 86 58.593 13.308 1.038 1.00 0.00 C ATOM 41 C GLU A 86 57.667 12.091 0.993 1.00 0.00 C ATOM 42 O GLU A 86 57.034 11.745 1.991 1.00 0.00 O ATOM 43 CB GLU A 86 59.824 12.991 1.891 1.00 0.00 C ATOM 44 CG GLU A 86 60.713 14.198 2.151 1.00 0.00 C ATOM 45 CD GLU A 86 62.165 13.817 2.366 1.00 0.00 C ATOM 46 OE1 GLU A 86 62.466 13.184 3.400 1.00 0.00 O ATOM 47 OE2 GLU A 86 63.001 14.151 1.500 1.00 0.00 O ATOM 0 HA GLU A 86 58.899 13.530 0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 86 59.498 12.579 2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 86 60.411 12.219 1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 86 60.642 14.885 1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 86 60.347 14.732 3.028 1.00 0.00 H new ATOM 54 N PRO A 87 57.580 11.421 -0.173 1.00 0.00 N ATOM 55 CA PRO A 87 56.738 10.242 -0.351 1.00 0.00 C ATOM 56 C PRO A 87 57.460 8.949 0.021 1.00 0.00 C ATOM 57 O PRO A 87 58.625 8.755 -0.327 1.00 0.00 O ATOM 58 CB PRO A 87 56.443 10.276 -1.846 1.00 0.00 C ATOM 59 CG PRO A 87 57.672 10.862 -2.459 1.00 0.00 C ATOM 60 CD PRO A 87 58.298 11.761 -1.417 1.00 0.00 C ATOM 0 HA PRO A 87 55.853 10.259 0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 87 56.244 9.277 -2.234 1.00 0.00 H new ATOM 0 HB3 PRO A 87 55.564 10.883 -2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 87 58.366 10.077 -2.758 1.00 0.00 H new ATOM 0 HG3 PRO A 87 57.423 11.427 -3.357 1.00 0.00 H new ATOM 0 HD2 PRO A 87 59.368 11.578 -1.323 1.00 0.00 H new ATOM 0 HD3 PRO A 87 58.176 12.814 -1.673 1.00 0.00 H new ATOM 68 N ALA A 88 56.760 8.068 0.729 1.00 0.00 N ATOM 69 CA ALA A 88 57.333 6.793 1.149 1.00 0.00 C ATOM 70 C ALA A 88 56.603 5.622 0.499 1.00 0.00 C ATOM 71 O ALA A 88 55.461 5.320 0.846 1.00 0.00 O ATOM 72 CB ALA A 88 57.287 6.667 2.664 1.00 0.00 C ATOM 0 H ALA A 88 55.795 8.213 1.024 1.00 0.00 H new ATOM 0 HA ALA A 88 58.373 6.766 0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 88 57.718 5.711 2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 88 57.858 7.479 3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 88 56.252 6.720 3.002 1.00 0.00 H new ATOM 78 N VAL A 89 57.268 4.968 -0.448 1.00 0.00 N ATOM 79 CA VAL A 89 56.682 3.830 -1.149 1.00 0.00 C ATOM 80 C VAL A 89 56.814 2.549 -0.332 1.00 0.00 C ATOM 81 O VAL A 89 57.907 2.195 0.112 1.00 0.00 O ATOM 82 CB VAL A 89 57.345 3.615 -2.524 1.00 0.00 C ATOM 83 CG1 VAL A 89 56.532 2.642 -3.365 1.00 0.00 C ATOM 84 CG2 VAL A 89 57.526 4.942 -3.252 1.00 0.00 C ATOM 0 H VAL A 89 58.213 5.206 -0.748 1.00 0.00 H new ATOM 0 HA VAL A 89 55.626 4.060 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 89 58.332 3.182 -2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 89 57.017 2.504 -4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 89 56.467 1.683 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 89 55.529 3.041 -3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 89 57.996 4.765 -4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 89 56.553 5.411 -3.401 1.00 0.00 H new ATOM 0 HG23 VAL A 89 58.159 5.600 -2.657 1.00 0.00 H new ATOM 94 N CYS A 90 55.697 1.854 -0.141 1.00 0.00 N ATOM 95 CA CYS A 90 55.695 0.607 0.617 1.00 0.00 C ATOM 96 C CYS A 90 56.289 -0.525 -0.214 1.00 0.00 C ATOM 97 O CYS A 90 55.791 -0.845 -1.292 1.00 0.00 O ATOM 98 CB CYS A 90 54.273 0.248 1.053 1.00 0.00 C ATOM 99 SG CYS A 90 54.189 -1.104 2.251 1.00 0.00 S ATOM 0 H CYS A 90 54.783 2.132 -0.500 1.00 0.00 H new ATOM 0 HA CYS A 90 56.309 0.747 1.506 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.803 1.132 1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.692 -0.025 0.172 1.00 0.00 H new ATOM 0 HG CYS A 90 53.146 -0.946 3.011 1.00 0.00 H new ATOM 104 N GLU A 91 57.361 -1.121 0.290 1.00 0.00 N ATOM 105 CA GLU A 91 58.031 -2.210 -0.410 1.00 0.00 C ATOM 106 C GLU A 91 57.166 -3.470 -0.456 1.00 0.00 C ATOM 107 O GLU A 91 57.417 -4.374 -1.253 1.00 0.00 O ATOM 108 CB GLU A 91 59.367 -2.519 0.269 1.00 0.00 C ATOM 109 CG GLU A 91 60.156 -3.628 -0.406 1.00 0.00 C ATOM 110 CD GLU A 91 61.534 -3.176 -0.851 1.00 0.00 C ATOM 111 OE1 GLU A 91 61.926 -3.502 -1.992 1.00 0.00 O ATOM 112 OE2 GLU A 91 62.220 -2.496 -0.060 1.00 0.00 O ATOM 0 H GLU A 91 57.786 -0.869 1.182 1.00 0.00 H new ATOM 0 HA GLU A 91 58.206 -1.890 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 91 59.973 -1.613 0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.181 -2.798 1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 91 60.258 -4.467 0.282 1.00 0.00 H new ATOM 0 HG3 GLU A 91 59.600 -3.990 -1.271 1.00 0.00 H new ATOM 119 N MET A 92 56.157 -3.538 0.410 1.00 0.00 N ATOM 120 CA MET A 92 55.279 -4.704 0.464 1.00 0.00 C ATOM 121 C MET A 92 54.043 -4.532 -0.419 1.00 0.00 C ATOM 122 O MET A 92 53.791 -5.345 -1.309 1.00 0.00 O ATOM 123 CB MET A 92 54.848 -4.972 1.907 1.00 0.00 C ATOM 124 CG MET A 92 54.204 -6.335 2.105 1.00 0.00 C ATOM 125 SD MET A 92 55.390 -7.688 1.980 1.00 0.00 S ATOM 126 CE MET A 92 54.371 -8.964 1.244 1.00 0.00 C ATOM 0 H MET A 92 55.928 -2.804 1.080 1.00 0.00 H new ATOM 0 HA MET A 92 55.845 -5.555 0.084 1.00 0.00 H new ATOM 0 HB2 MET A 92 55.718 -4.892 2.558 1.00 0.00 H new ATOM 0 HB3 MET A 92 54.145 -4.199 2.217 1.00 0.00 H new ATOM 0 HG2 MET A 92 53.724 -6.367 3.083 1.00 0.00 H new ATOM 0 HG3 MET A 92 53.420 -6.474 1.360 1.00 0.00 H new ATOM 0 HE1 MET A 92 54.964 -9.867 1.103 1.00 0.00 H new ATOM 0 HE2 MET A 92 53.529 -9.182 1.901 1.00 0.00 H new ATOM 0 HE3 MET A 92 53.998 -8.621 0.279 1.00 0.00 H new ATOM 136 N CYS A 93 53.265 -3.486 -0.159 1.00 0.00 N ATOM 137 CA CYS A 93 52.045 -3.226 -0.918 1.00 0.00 C ATOM 138 C CYS A 93 52.319 -2.382 -2.160 1.00 0.00 C ATOM 139 O CYS A 93 51.638 -2.519 -3.175 1.00 0.00 O ATOM 140 CB CYS A 93 51.019 -2.512 -0.033 1.00 0.00 C ATOM 141 SG CYS A 93 50.856 -3.210 1.628 1.00 0.00 S ATOM 0 H CYS A 93 53.458 -2.803 0.573 1.00 0.00 H new ATOM 0 HA CYS A 93 51.650 -4.189 -1.243 1.00 0.00 H new ATOM 0 HB2 CYS A 93 51.298 -1.462 0.053 1.00 0.00 H new ATOM 0 HB3 CYS A 93 50.047 -2.544 -0.525 1.00 0.00 H new ATOM 0 HG CYS A 93 51.942 -2.978 2.304 1.00 0.00 H new ATOM 146 N GLY A 94 53.308 -1.501 -2.070 1.00 0.00 N ATOM 147 CA GLY A 94 53.638 -0.641 -3.191 1.00 0.00 C ATOM 148 C GLY A 94 52.862 0.660 -3.164 1.00 0.00 C ATOM 149 O GLY A 94 52.757 1.351 -4.178 1.00 0.00 O ATOM 0 H GLY A 94 53.887 -1.367 -1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 94 54.706 -0.425 -3.178 1.00 0.00 H new ATOM 0 HA3 GLY A 94 53.430 -1.166 -4.123 1.00 0.00 H new ATOM 153 N ILE A 95 52.330 1.004 -1.995 1.00 0.00 N ATOM 154 CA ILE A 95 51.577 2.237 -1.830 1.00 0.00 C ATOM 155 C ILE A 95 52.491 3.343 -1.336 1.00 0.00 C ATOM 156 O ILE A 95 53.282 3.146 -0.413 1.00 0.00 O ATOM 157 CB ILE A 95 50.408 2.062 -0.844 1.00 0.00 C ATOM 158 CG1 ILE A 95 49.582 0.827 -1.209 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.532 3.305 -0.833 1.00 0.00 C ATOM 160 CD1 ILE A 95 48.907 0.929 -2.560 1.00 0.00 C ATOM 0 H ILE A 95 52.408 0.442 -1.147 1.00 0.00 H new ATOM 0 HA ILE A 95 51.165 2.503 -2.804 1.00 0.00 H new ATOM 0 HB ILE A 95 50.817 1.920 0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 95 50.230 -0.049 -1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 95 48.823 0.669 -0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 95 48.710 3.165 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 95 50.126 4.166 -0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 95 49.131 3.476 -1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 95 48.339 0.019 -2.753 1.00 0.00 H new ATOM 0 HD12 ILE A 95 48.233 1.785 -2.566 1.00 0.00 H new ATOM 0 HD13 ILE A 95 49.662 1.056 -3.335 1.00 0.00 H new ATOM 172 N VAL A 96 52.393 4.500 -1.969 1.00 0.00 N ATOM 173 CA VAL A 96 53.225 5.635 -1.611 1.00 0.00 C ATOM 174 C VAL A 96 52.432 6.684 -0.836 1.00 0.00 C ATOM 175 O VAL A 96 51.325 7.056 -1.227 1.00 0.00 O ATOM 176 CB VAL A 96 53.838 6.278 -2.867 1.00 0.00 C ATOM 177 CG1 VAL A 96 55.028 7.142 -2.493 1.00 0.00 C ATOM 178 CG2 VAL A 96 54.246 5.212 -3.874 1.00 0.00 C ATOM 0 H VAL A 96 51.744 4.678 -2.735 1.00 0.00 H new ATOM 0 HA VAL A 96 54.025 5.262 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 96 53.082 6.912 -3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 96 55.450 7.589 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 96 54.706 7.930 -1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 96 55.784 6.528 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 96 54.677 5.689 -4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 96 54.984 4.549 -3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 96 53.370 4.634 -4.167 1.00 0.00 H new ATOM 188 N GLY A 97 53.014 7.164 0.260 1.00 0.00 N ATOM 189 CA GLY A 97 52.364 8.175 1.076 1.00 0.00 C ATOM 190 C GLY A 97 53.371 9.065 1.780 1.00 0.00 C ATOM 191 O GLY A 97 54.482 8.630 2.078 1.00 0.00 O ATOM 0 H GLY A 97 53.930 6.869 0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.715 8.786 0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 97 51.727 7.690 1.816 1.00 0.00 H new ATOM 195 N THR A 98 52.989 10.307 2.057 1.00 0.00 N ATOM 196 CA THR A 98 53.886 11.238 2.738 1.00 0.00 C ATOM 197 C THR A 98 54.299 10.687 4.099 1.00 0.00 C ATOM 198 O THR A 98 53.490 10.087 4.806 1.00 0.00 O ATOM 199 CB THR A 98 53.222 12.606 2.908 1.00 0.00 C ATOM 200 OG1 THR A 98 52.308 12.589 3.991 1.00 0.00 O ATOM 201 CG2 THR A 98 52.470 13.064 1.679 1.00 0.00 C ATOM 0 H THR A 98 52.073 10.691 1.824 1.00 0.00 H new ATOM 0 HA THR A 98 54.777 11.358 2.122 1.00 0.00 H new ATOM 0 HB THR A 98 54.040 13.302 3.093 1.00 0.00 H new ATOM 0 HG1 THR A 98 51.895 13.473 4.085 1.00 0.00 H new ATOM 0 HG21 THR A 98 52.024 14.040 1.868 1.00 0.00 H new ATOM 0 HG22 THR A 98 53.159 13.137 0.837 1.00 0.00 H new ATOM 0 HG23 THR A 98 51.684 12.346 1.444 1.00 0.00 H new ATOM 209 N ARG A 99 55.567 10.881 4.452 1.00 0.00 N ATOM 210 CA ARG A 99 56.104 10.394 5.722 1.00 0.00 C ATOM 211 C ARG A 99 55.157 10.676 6.891 1.00 0.00 C ATOM 212 O ARG A 99 55.079 9.893 7.837 1.00 0.00 O ATOM 213 CB ARG A 99 57.478 11.025 5.982 1.00 0.00 C ATOM 214 CG ARG A 99 57.416 12.399 6.633 1.00 0.00 C ATOM 215 CD ARG A 99 58.805 12.991 6.815 1.00 0.00 C ATOM 216 NE ARG A 99 58.759 14.317 7.429 1.00 0.00 N ATOM 217 CZ ARG A 99 58.440 14.535 8.703 1.00 0.00 C ATOM 218 NH1 ARG A 99 58.134 13.519 9.502 1.00 0.00 N ATOM 219 NH2 ARG A 99 58.427 15.772 9.181 1.00 0.00 N ATOM 0 H ARG A 99 56.246 11.375 3.873 1.00 0.00 H new ATOM 0 HA ARG A 99 56.209 9.312 5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 99 58.058 10.358 6.620 1.00 0.00 H new ATOM 0 HB3 ARG A 99 58.014 11.106 5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 99 56.812 13.067 6.019 1.00 0.00 H new ATOM 0 HG3 ARG A 99 56.922 12.322 7.602 1.00 0.00 H new ATOM 0 HD2 ARG A 99 59.405 12.325 7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 99 59.301 13.057 5.847 1.00 0.00 H new ATOM 0 HE ARG A 99 58.985 15.123 6.846 1.00 0.00 H new ATOM 0 HH11 ARG A 99 58.143 12.565 9.140 1.00 0.00 H new ATOM 0 HH12 ARG A 99 57.890 13.693 10.477 1.00 0.00 H new ATOM 0 HH21 ARG A 99 58.661 16.556 8.573 1.00 0.00 H new ATOM 0 HH22 ARG A 99 58.183 15.939 10.157 1.00 0.00 H new ATOM 233 N GLU A 100 54.447 11.799 6.825 1.00 0.00 N ATOM 234 CA GLU A 100 53.515 12.183 7.885 1.00 0.00 C ATOM 235 C GLU A 100 52.304 11.246 7.953 1.00 0.00 C ATOM 236 O GLU A 100 51.449 11.395 8.826 1.00 0.00 O ATOM 237 CB GLU A 100 53.039 13.621 7.670 1.00 0.00 C ATOM 238 CG GLU A 100 52.464 14.266 8.921 1.00 0.00 C ATOM 239 CD GLU A 100 53.450 14.283 10.072 1.00 0.00 C ATOM 240 OE1 GLU A 100 53.443 13.325 10.874 1.00 0.00 O ATOM 241 OE2 GLU A 100 54.229 15.254 10.172 1.00 0.00 O ATOM 0 H GLU A 100 54.498 12.460 6.050 1.00 0.00 H new ATOM 0 HA GLU A 100 54.050 12.107 8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 100 53.875 14.222 7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 100 52.282 13.631 6.886 1.00 0.00 H new ATOM 0 HG2 GLU A 100 52.160 15.288 8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 100 51.566 13.727 9.224 1.00 0.00 H new ATOM 248 N ALA A 101 52.234 10.285 7.037 1.00 0.00 N ATOM 249 CA ALA A 101 51.126 9.336 7.010 1.00 0.00 C ATOM 250 C ALA A 101 51.621 7.890 7.051 1.00 0.00 C ATOM 251 O ALA A 101 50.822 6.954 7.045 1.00 0.00 O ATOM 252 CB ALA A 101 50.271 9.565 5.772 1.00 0.00 C ATOM 0 H ALA A 101 52.930 10.143 6.305 1.00 0.00 H new ATOM 0 HA ALA A 101 50.521 9.504 7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.447 8.851 5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 101 49.872 10.579 5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 101 50.880 9.428 4.879 1.00 0.00 H new ATOM 258 N PHE A 102 52.941 7.711 7.080 1.00 0.00 N ATOM 259 CA PHE A 102 53.526 6.375 7.108 1.00 0.00 C ATOM 260 C PHE A 102 54.160 6.064 8.461 1.00 0.00 C ATOM 261 O PHE A 102 54.495 6.965 9.230 1.00 0.00 O ATOM 262 CB PHE A 102 54.567 6.231 5.996 1.00 0.00 C ATOM 263 CG PHE A 102 54.030 5.563 4.762 1.00 0.00 C ATOM 264 CD1 PHE A 102 52.927 6.081 4.104 1.00 0.00 C ATOM 265 CD2 PHE A 102 54.626 4.415 4.263 1.00 0.00 C ATOM 266 CE1 PHE A 102 52.427 5.467 2.971 1.00 0.00 C ATOM 267 CE2 PHE A 102 54.131 3.798 3.130 1.00 0.00 C ATOM 268 CZ PHE A 102 53.030 4.324 2.484 1.00 0.00 C ATOM 0 H PHE A 102 53.621 8.471 7.085 1.00 0.00 H new ATOM 0 HA PHE A 102 52.721 5.659 6.945 1.00 0.00 H new ATOM 0 HB2 PHE A 102 54.944 7.219 5.731 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.414 5.657 6.372 1.00 0.00 H new ATOM 0 HD1 PHE A 102 52.452 6.975 4.480 1.00 0.00 H new ATOM 0 HD2 PHE A 102 55.487 3.998 4.765 1.00 0.00 H new ATOM 0 HE1 PHE A 102 51.566 5.881 2.467 1.00 0.00 H new ATOM 0 HE2 PHE A 102 54.605 2.905 2.750 1.00 0.00 H new ATOM 0 HZ PHE A 102 52.641 3.842 1.599 1.00 0.00 H new ATOM 278 N PHE A 103 54.304 4.770 8.742 1.00 0.00 N ATOM 279 CA PHE A 103 54.881 4.303 10.003 1.00 0.00 C ATOM 280 C PHE A 103 56.131 5.103 10.368 1.00 0.00 C ATOM 281 O PHE A 103 57.212 4.871 9.831 1.00 0.00 O ATOM 282 CB PHE A 103 55.222 2.813 9.893 1.00 0.00 C ATOM 283 CG PHE A 103 55.424 2.129 11.217 1.00 0.00 C ATOM 284 CD1 PHE A 103 54.617 2.431 12.304 1.00 0.00 C ATOM 285 CD2 PHE A 103 56.420 1.178 11.371 1.00 0.00 C ATOM 286 CE1 PHE A 103 54.802 1.797 13.518 1.00 0.00 C ATOM 287 CE2 PHE A 103 56.609 0.542 12.582 1.00 0.00 C ATOM 288 CZ PHE A 103 55.800 0.852 13.657 1.00 0.00 C ATOM 0 H PHE A 103 54.027 4.020 8.108 1.00 0.00 H new ATOM 0 HA PHE A 103 54.146 4.451 10.794 1.00 0.00 H new ATOM 0 HB2 PHE A 103 54.421 2.307 9.353 1.00 0.00 H new ATOM 0 HB3 PHE A 103 56.128 2.702 9.297 1.00 0.00 H new ATOM 0 HD1 PHE A 103 53.836 3.169 12.201 1.00 0.00 H new ATOM 0 HD2 PHE A 103 57.056 0.931 10.534 1.00 0.00 H new ATOM 0 HE1 PHE A 103 54.167 2.040 14.357 1.00 0.00 H new ATOM 0 HE2 PHE A 103 57.389 -0.197 12.688 1.00 0.00 H new ATOM 0 HZ PHE A 103 55.947 0.356 14.605 1.00 0.00 H new ATOM 298 N SER A 104 55.960 6.057 11.280 1.00 0.00 N ATOM 299 CA SER A 104 57.055 6.917 11.724 1.00 0.00 C ATOM 300 C SER A 104 58.290 6.109 12.117 1.00 0.00 C ATOM 301 O SER A 104 59.416 6.598 12.017 1.00 0.00 O ATOM 302 CB SER A 104 56.600 7.780 12.902 1.00 0.00 C ATOM 303 OG SER A 104 56.324 9.106 12.485 1.00 0.00 O ATOM 0 H SER A 104 55.066 6.255 11.729 1.00 0.00 H new ATOM 0 HA SER A 104 57.331 7.558 10.886 1.00 0.00 H new ATOM 0 HB2 SER A 104 55.709 7.344 13.353 1.00 0.00 H new ATOM 0 HB3 SER A 104 57.374 7.790 13.670 1.00 0.00 H new ATOM 0 HG SER A 104 56.033 9.637 13.255 1.00 0.00 H new ATOM 309 N LYS A 105 58.077 4.877 12.567 1.00 0.00 N ATOM 310 CA LYS A 105 59.181 4.013 12.977 1.00 0.00 C ATOM 311 C LYS A 105 60.266 3.956 11.904 1.00 0.00 C ATOM 312 O LYS A 105 61.436 4.229 12.174 1.00 0.00 O ATOM 313 CB LYS A 105 58.667 2.604 13.278 1.00 0.00 C ATOM 314 CG LYS A 105 59.266 1.995 14.536 1.00 0.00 C ATOM 315 CD LYS A 105 60.504 1.168 14.224 1.00 0.00 C ATOM 316 CE LYS A 105 60.248 -0.318 14.416 1.00 0.00 C ATOM 317 NZ LYS A 105 61.146 -1.151 13.570 1.00 0.00 N ATOM 0 H LYS A 105 57.153 4.454 12.657 1.00 0.00 H new ATOM 0 HA LYS A 105 59.619 4.435 13.881 1.00 0.00 H new ATOM 0 HB2 LYS A 105 57.582 2.636 13.380 1.00 0.00 H new ATOM 0 HB3 LYS A 105 58.888 1.956 12.430 1.00 0.00 H new ATOM 0 HG2 LYS A 105 59.525 2.788 15.237 1.00 0.00 H new ATOM 0 HG3 LYS A 105 58.522 1.367 15.026 1.00 0.00 H new ATOM 0 HD2 LYS A 105 60.817 1.354 13.197 1.00 0.00 H new ATOM 0 HD3 LYS A 105 61.324 1.483 14.869 1.00 0.00 H new ATOM 0 HE2 LYS A 105 60.393 -0.579 15.464 1.00 0.00 H new ATOM 0 HE3 LYS A 105 59.209 -0.542 14.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 60.939 -2.157 13.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 60.990 -0.921 12.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 62.137 -0.957 13.820 1.00 0.00 H new ATOM 331 N THR A 106 59.871 3.600 10.686 1.00 0.00 N ATOM 332 CA THR A 106 60.811 3.509 9.572 1.00 0.00 C ATOM 333 C THR A 106 60.318 4.308 8.369 1.00 0.00 C ATOM 334 O THR A 106 61.111 4.931 7.664 1.00 0.00 O ATOM 335 CB THR A 106 61.021 2.048 9.173 1.00 0.00 C ATOM 336 OG1 THR A 106 59.805 1.326 9.258 1.00 0.00 O ATOM 337 CG2 THR A 106 62.041 1.332 10.032 1.00 0.00 C ATOM 0 H THR A 106 58.907 3.370 10.444 1.00 0.00 H new ATOM 0 HA THR A 106 61.760 3.932 9.900 1.00 0.00 H new ATOM 0 HB THR A 106 61.392 2.079 8.149 1.00 0.00 H new ATOM 0 HG1 THR A 106 59.959 0.394 8.997 1.00 0.00 H new ATOM 0 HG21 THR A 106 62.141 0.300 9.695 1.00 0.00 H new ATOM 0 HG22 THR A 106 63.004 1.836 9.949 1.00 0.00 H new ATOM 0 HG23 THR A 106 61.714 1.344 11.072 1.00 0.00 H new ATOM 345 N LYS A 107 59.004 4.273 8.140 1.00 0.00 N ATOM 346 CA LYS A 107 58.376 4.982 7.021 1.00 0.00 C ATOM 347 C LYS A 107 58.501 4.194 5.716 1.00 0.00 C ATOM 348 O LYS A 107 57.880 4.547 4.713 1.00 0.00 O ATOM 349 CB LYS A 107 58.968 6.387 6.847 1.00 0.00 C ATOM 350 CG LYS A 107 58.855 7.256 8.090 1.00 0.00 C ATOM 351 CD LYS A 107 57.666 8.203 8.002 1.00 0.00 C ATOM 352 CE LYS A 107 57.853 9.435 8.877 1.00 0.00 C ATOM 353 NZ LYS A 107 59.245 9.963 8.815 1.00 0.00 N ATOM 0 H LYS A 107 58.346 3.755 8.722 1.00 0.00 H new ATOM 0 HA LYS A 107 57.317 5.080 7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 107 60.019 6.297 6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 107 58.463 6.885 6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 107 58.752 6.622 8.971 1.00 0.00 H new ATOM 0 HG3 LYS A 107 59.772 7.832 8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 107 57.524 8.512 6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 107 56.760 7.677 8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 107 57.157 10.212 8.561 1.00 0.00 H new ATOM 0 HE3 LYS A 107 57.606 9.186 9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 59.250 10.964 9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 59.852 9.418 9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 59.606 9.876 7.844 1.00 0.00 H new ATOM 367 N ARG A 108 59.297 3.127 5.729 1.00 0.00 N ATOM 368 CA ARG A 108 59.480 2.303 4.542 1.00 0.00 C ATOM 369 C ARG A 108 58.198 1.543 4.213 1.00 0.00 C ATOM 370 O ARG A 108 57.877 1.321 3.046 1.00 0.00 O ATOM 371 CB ARG A 108 60.635 1.320 4.746 1.00 0.00 C ATOM 372 CG ARG A 108 61.958 1.809 4.179 1.00 0.00 C ATOM 373 CD ARG A 108 63.137 1.193 4.913 1.00 0.00 C ATOM 374 NE ARG A 108 63.410 1.874 6.178 1.00 0.00 N ATOM 375 CZ ARG A 108 64.289 2.865 6.319 1.00 0.00 C ATOM 376 NH1 ARG A 108 64.974 3.314 5.274 1.00 0.00 N ATOM 377 NH2 ARG A 108 64.479 3.414 7.511 1.00 0.00 N ATOM 0 H ARG A 108 59.822 2.816 6.546 1.00 0.00 H new ATOM 0 HA ARG A 108 59.721 2.959 3.705 1.00 0.00 H new ATOM 0 HB2 ARG A 108 60.755 1.129 5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.378 0.369 4.279 1.00 0.00 H new ATOM 0 HG2 ARG A 108 62.016 1.559 3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 108 62.008 2.895 4.254 1.00 0.00 H new ATOM 0 HD2 ARG A 108 62.935 0.139 5.105 1.00 0.00 H new ATOM 0 HD3 ARG A 108 64.022 1.237 4.279 1.00 0.00 H new ATOM 0 HE ARG A 108 62.895 1.571 7.005 1.00 0.00 H new ATOM 0 HH11 ARG A 108 64.829 2.900 4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 108 65.645 4.073 5.392 1.00 0.00 H new ATOM 0 HH21 ARG A 108 63.953 3.077 8.317 1.00 0.00 H new ATOM 0 HH22 ARG A 108 65.151 4.173 7.622 1.00 0.00 H new ATOM 391 N PHE A 109 57.467 1.152 5.253 1.00 0.00 N ATOM 392 CA PHE A 109 56.215 0.423 5.081 1.00 0.00 C ATOM 393 C PHE A 109 55.047 1.218 5.658 1.00 0.00 C ATOM 394 O PHE A 109 55.189 1.906 6.668 1.00 0.00 O ATOM 395 CB PHE A 109 56.303 -0.951 5.746 1.00 0.00 C ATOM 396 CG PHE A 109 57.550 -1.711 5.387 1.00 0.00 C ATOM 397 CD1 PHE A 109 57.616 -2.454 4.217 1.00 0.00 C ATOM 398 CD2 PHE A 109 58.657 -1.681 6.220 1.00 0.00 C ATOM 399 CE1 PHE A 109 58.762 -3.152 3.888 1.00 0.00 C ATOM 400 CE2 PHE A 109 59.806 -2.377 5.895 1.00 0.00 C ATOM 401 CZ PHE A 109 59.859 -3.113 4.727 1.00 0.00 C ATOM 0 H PHE A 109 57.721 1.328 6.225 1.00 0.00 H new ATOM 0 HA PHE A 109 56.043 0.283 4.014 1.00 0.00 H new ATOM 0 HB2 PHE A 109 56.262 -0.826 6.828 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.432 -1.541 5.460 1.00 0.00 H new ATOM 0 HD1 PHE A 109 56.762 -2.487 3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 109 58.622 -1.107 7.134 1.00 0.00 H new ATOM 0 HE1 PHE A 109 58.800 -3.728 2.975 1.00 0.00 H new ATOM 0 HE2 PHE A 109 60.662 -2.346 6.553 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.756 -3.657 4.470 1.00 0.00 H new ATOM 411 N CYS A 110 53.898 1.134 4.997 1.00 0.00 N ATOM 412 CA CYS A 110 52.704 1.857 5.419 1.00 0.00 C ATOM 413 C CYS A 110 52.198 1.407 6.789 1.00 0.00 C ATOM 414 O CYS A 110 51.346 2.068 7.382 1.00 0.00 O ATOM 415 CB CYS A 110 51.598 1.672 4.378 1.00 0.00 C ATOM 416 SG CYS A 110 51.187 -0.057 4.034 1.00 0.00 S ATOM 0 H CYS A 110 53.768 0.567 4.159 1.00 0.00 H new ATOM 0 HA CYS A 110 52.976 2.909 5.504 1.00 0.00 H new ATOM 0 HB2 CYS A 110 50.700 2.186 4.722 1.00 0.00 H new ATOM 0 HB3 CYS A 110 51.904 2.153 3.449 1.00 0.00 H new ATOM 0 HG CYS A 110 50.241 -0.109 3.143 1.00 0.00 H new ATOM 421 N SER A 111 52.703 0.283 7.290 1.00 0.00 N ATOM 422 CA SER A 111 52.259 -0.219 8.587 1.00 0.00 C ATOM 423 C SER A 111 53.306 -1.114 9.239 1.00 0.00 C ATOM 424 O SER A 111 54.163 -1.683 8.563 1.00 0.00 O ATOM 425 CB SER A 111 50.954 -1.001 8.424 1.00 0.00 C ATOM 426 OG SER A 111 51.211 -2.356 8.089 1.00 0.00 O ATOM 0 H SER A 111 53.409 -0.290 6.827 1.00 0.00 H new ATOM 0 HA SER A 111 52.101 0.643 9.235 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.380 -0.954 9.349 1.00 0.00 H new ATOM 0 HB3 SER A 111 50.344 -0.540 7.647 1.00 0.00 H new ATOM 0 HG SER A 111 50.481 -2.699 7.532 1.00 0.00 H new ATOM 432 N VAL A 112 53.211 -1.250 10.559 1.00 0.00 N ATOM 433 CA VAL A 112 54.131 -2.095 11.305 1.00 0.00 C ATOM 434 C VAL A 112 53.933 -3.552 10.907 1.00 0.00 C ATOM 435 O VAL A 112 54.890 -4.323 10.819 1.00 0.00 O ATOM 436 CB VAL A 112 53.933 -1.946 12.826 1.00 0.00 C ATOM 437 CG1 VAL A 112 52.522 -2.350 13.226 1.00 0.00 C ATOM 438 CG2 VAL A 112 54.967 -2.766 13.584 1.00 0.00 C ATOM 0 H VAL A 112 52.506 -0.785 11.131 1.00 0.00 H new ATOM 0 HA VAL A 112 55.145 -1.777 11.063 1.00 0.00 H new ATOM 0 HB VAL A 112 54.072 -0.897 13.089 1.00 0.00 H new ATOM 0 HG11 VAL A 112 52.403 -2.238 14.304 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.802 -1.713 12.713 1.00 0.00 H new ATOM 0 HG13 VAL A 112 52.349 -3.390 12.948 1.00 0.00 H new ATOM 0 HG21 VAL A 112 54.810 -2.648 14.656 1.00 0.00 H new ATOM 0 HG22 VAL A 112 54.865 -3.818 13.316 1.00 0.00 H new ATOM 0 HG23 VAL A 112 55.967 -2.421 13.323 1.00 0.00 H new ATOM 448 N SER A 113 52.678 -3.917 10.646 1.00 0.00 N ATOM 449 CA SER A 113 52.352 -5.274 10.232 1.00 0.00 C ATOM 450 C SER A 113 53.119 -5.618 8.963 1.00 0.00 C ATOM 451 O SER A 113 53.620 -6.730 8.805 1.00 0.00 O ATOM 452 CB SER A 113 50.848 -5.421 9.997 1.00 0.00 C ATOM 453 OG SER A 113 50.383 -4.476 9.048 1.00 0.00 O ATOM 0 H SER A 113 51.875 -3.291 10.715 1.00 0.00 H new ATOM 0 HA SER A 113 52.641 -5.963 11.026 1.00 0.00 H new ATOM 0 HB2 SER A 113 50.629 -6.430 9.647 1.00 0.00 H new ATOM 0 HB3 SER A 113 50.315 -5.287 10.939 1.00 0.00 H new ATOM 0 HG SER A 113 50.982 -3.700 9.038 1.00 0.00 H new ATOM 459 N CYS A 114 53.223 -4.637 8.069 1.00 0.00 N ATOM 460 CA CYS A 114 53.950 -4.818 6.821 1.00 0.00 C ATOM 461 C CYS A 114 55.424 -5.102 7.101 1.00 0.00 C ATOM 462 O CYS A 114 56.129 -5.665 6.265 1.00 0.00 O ATOM 463 CB CYS A 114 53.818 -3.572 5.942 1.00 0.00 C ATOM 464 SG CYS A 114 52.471 -3.653 4.739 1.00 0.00 S ATOM 0 H CYS A 114 52.813 -3.711 8.188 1.00 0.00 H new ATOM 0 HA CYS A 114 53.520 -5.669 6.293 1.00 0.00 H new ATOM 0 HB2 CYS A 114 53.666 -2.703 6.583 1.00 0.00 H new ATOM 0 HB3 CYS A 114 54.756 -3.415 5.410 1.00 0.00 H new ATOM 0 HG CYS A 114 52.032 -2.453 4.497 1.00 0.00 H new ATOM 469 N SER A 115 55.882 -4.709 8.289 1.00 0.00 N ATOM 470 CA SER A 115 57.268 -4.923 8.685 1.00 0.00 C ATOM 471 C SER A 115 57.464 -6.339 9.214 1.00 0.00 C ATOM 472 O SER A 115 58.375 -7.055 8.786 1.00 0.00 O ATOM 473 CB SER A 115 57.683 -3.902 9.748 1.00 0.00 C ATOM 474 OG SER A 115 57.359 -4.357 11.051 1.00 0.00 O ATOM 0 H SER A 115 55.311 -4.241 8.992 1.00 0.00 H new ATOM 0 HA SER A 115 57.898 -4.791 7.806 1.00 0.00 H new ATOM 0 HB2 SER A 115 58.755 -3.718 9.680 1.00 0.00 H new ATOM 0 HB3 SER A 115 57.184 -2.952 9.557 1.00 0.00 H new ATOM 0 HG SER A 115 56.490 -3.991 11.319 1.00 0.00 H new ATOM 480 N ARG A 116 56.582 -6.760 10.117 1.00 0.00 N ATOM 481 CA ARG A 116 56.656 -8.107 10.665 1.00 0.00 C ATOM 482 C ARG A 116 56.231 -9.118 9.609 1.00 0.00 C ATOM 483 O ARG A 116 56.568 -10.299 9.691 1.00 0.00 O ATOM 484 CB ARG A 116 55.781 -8.238 11.914 1.00 0.00 C ATOM 485 CG ARG A 116 54.352 -7.761 11.718 1.00 0.00 C ATOM 486 CD ARG A 116 53.484 -8.116 12.915 1.00 0.00 C ATOM 487 NE ARG A 116 52.070 -7.840 12.673 1.00 0.00 N ATOM 488 CZ ARG A 116 51.132 -7.900 13.616 1.00 0.00 C ATOM 489 NH1 ARG A 116 51.454 -8.222 14.863 1.00 0.00 N ATOM 490 NH2 ARG A 116 49.868 -7.637 13.312 1.00 0.00 N ATOM 0 H ARG A 116 55.816 -6.193 10.480 1.00 0.00 H new ATOM 0 HA ARG A 116 57.687 -8.308 10.955 1.00 0.00 H new ATOM 0 HB2 ARG A 116 55.765 -9.282 12.227 1.00 0.00 H new ATOM 0 HB3 ARG A 116 56.235 -7.669 12.725 1.00 0.00 H new ATOM 0 HG2 ARG A 116 54.344 -6.682 11.567 1.00 0.00 H new ATOM 0 HG3 ARG A 116 53.936 -8.212 10.817 1.00 0.00 H new ATOM 0 HD2 ARG A 116 53.611 -9.172 13.153 1.00 0.00 H new ATOM 0 HD3 ARG A 116 53.819 -7.551 13.785 1.00 0.00 H new ATOM 0 HE ARG A 116 51.785 -7.587 11.727 1.00 0.00 H new ATOM 0 HH11 ARG A 116 52.424 -8.425 15.103 1.00 0.00 H new ATOM 0 HH12 ARG A 116 50.731 -8.266 15.581 1.00 0.00 H new ATOM 0 HH21 ARG A 116 49.614 -7.389 12.356 1.00 0.00 H new ATOM 0 HH22 ARG A 116 49.149 -7.683 14.035 1.00 0.00 H new ATOM 504 N SER A 117 55.512 -8.637 8.597 1.00 0.00 N ATOM 505 CA SER A 117 55.070 -9.485 7.505 1.00 0.00 C ATOM 506 C SER A 117 56.226 -9.701 6.541 1.00 0.00 C ATOM 507 O SER A 117 56.568 -10.833 6.209 1.00 0.00 O ATOM 508 CB SER A 117 53.883 -8.852 6.777 1.00 0.00 C ATOM 509 OG SER A 117 52.667 -9.121 7.452 1.00 0.00 O ATOM 0 H SER A 117 55.225 -7.662 8.515 1.00 0.00 H new ATOM 0 HA SER A 117 54.746 -10.445 7.906 1.00 0.00 H new ATOM 0 HB2 SER A 117 54.031 -7.775 6.703 1.00 0.00 H new ATOM 0 HB3 SER A 117 53.830 -9.237 5.759 1.00 0.00 H new ATOM 0 HG SER A 117 52.514 -8.436 8.136 1.00 0.00 H new ATOM 515 N TYR A 118 56.839 -8.601 6.112 1.00 0.00 N ATOM 516 CA TYR A 118 57.977 -8.655 5.203 1.00 0.00 C ATOM 517 C TYR A 118 59.157 -9.364 5.863 1.00 0.00 C ATOM 518 O TYR A 118 60.025 -9.911 5.185 1.00 0.00 O ATOM 519 CB TYR A 118 58.381 -7.233 4.809 1.00 0.00 C ATOM 520 CG TYR A 118 59.001 -7.123 3.437 1.00 0.00 C ATOM 521 CD1 TYR A 118 58.349 -6.445 2.416 1.00 0.00 C ATOM 522 CD2 TYR A 118 60.240 -7.688 3.166 1.00 0.00 C ATOM 523 CE1 TYR A 118 58.912 -6.334 1.161 1.00 0.00 C ATOM 524 CE2 TYR A 118 60.811 -7.582 1.912 1.00 0.00 C ATOM 525 CZ TYR A 118 60.144 -6.904 0.913 1.00 0.00 C ATOM 526 OH TYR A 118 60.709 -6.795 -0.337 1.00 0.00 O ATOM 0 H TYR A 118 56.563 -7.657 6.382 1.00 0.00 H new ATOM 0 HA TYR A 118 57.691 -9.215 4.313 1.00 0.00 H new ATOM 0 HB2 TYR A 118 57.500 -6.593 4.849 1.00 0.00 H new ATOM 0 HB3 TYR A 118 59.087 -6.851 5.546 1.00 0.00 H new ATOM 0 HD1 TYR A 118 57.385 -5.997 2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 118 60.765 -8.218 3.947 1.00 0.00 H new ATOM 0 HE1 TYR A 118 58.391 -5.804 0.377 1.00 0.00 H new ATOM 0 HE2 TYR A 118 61.775 -8.028 1.715 1.00 0.00 H new ATOM 0 HH TYR A 118 61.577 -7.250 -0.344 1.00 0.00 H new ATOM 536 N SER A 119 59.170 -9.365 7.193 1.00 0.00 N ATOM 537 CA SER A 119 60.231 -10.025 7.943 1.00 0.00 C ATOM 538 C SER A 119 59.885 -11.491 8.193 1.00 0.00 C ATOM 539 O SER A 119 60.760 -12.357 8.197 1.00 0.00 O ATOM 540 CB SER A 119 60.469 -9.307 9.270 1.00 0.00 C ATOM 541 OG SER A 119 59.521 -9.707 10.245 1.00 0.00 O ATOM 0 H SER A 119 58.459 -8.917 7.771 1.00 0.00 H new ATOM 0 HA SER A 119 61.145 -9.982 7.351 1.00 0.00 H new ATOM 0 HB2 SER A 119 61.476 -9.522 9.628 1.00 0.00 H new ATOM 0 HB3 SER A 119 60.408 -8.229 9.120 1.00 0.00 H new ATOM 0 HG SER A 119 59.696 -9.234 11.085 1.00 0.00 H new ATOM 547 N SER A 120 58.600 -11.755 8.413 1.00 0.00 N ATOM 548 CA SER A 120 58.127 -13.111 8.680 1.00 0.00 C ATOM 549 C SER A 120 57.686 -13.826 7.401 1.00 0.00 C ATOM 550 O SER A 120 57.360 -15.012 7.433 1.00 0.00 O ATOM 551 CB SER A 120 56.967 -13.076 9.676 1.00 0.00 C ATOM 552 OG SER A 120 56.821 -14.322 10.334 1.00 0.00 O ATOM 0 H SER A 120 57.866 -11.047 8.412 1.00 0.00 H new ATOM 0 HA SER A 120 58.961 -13.670 9.104 1.00 0.00 H new ATOM 0 HB2 SER A 120 57.139 -12.291 10.412 1.00 0.00 H new ATOM 0 HB3 SER A 120 56.043 -12.827 9.154 1.00 0.00 H new ATOM 0 HG SER A 120 56.898 -15.048 9.680 1.00 0.00 H new ATOM 558 N ASN A 121 57.668 -13.107 6.282 1.00 0.00 N ATOM 559 CA ASN A 121 57.255 -13.697 5.011 1.00 0.00 C ATOM 560 C ASN A 121 58.204 -13.321 3.872 1.00 0.00 C ATOM 561 O ASN A 121 57.951 -13.656 2.715 1.00 0.00 O ATOM 562 CB ASN A 121 55.831 -13.259 4.663 1.00 0.00 C ATOM 563 CG ASN A 121 54.810 -13.760 5.665 1.00 0.00 C ATOM 564 OD1 ASN A 121 54.543 -14.958 5.751 1.00 0.00 O ATOM 565 ND2 ASN A 121 54.231 -12.841 6.429 1.00 0.00 N ATOM 0 H ASN A 121 57.932 -12.123 6.228 1.00 0.00 H new ATOM 0 HA ASN A 121 57.287 -14.780 5.129 1.00 0.00 H new ATOM 0 HB2 ASN A 121 55.789 -12.171 4.619 1.00 0.00 H new ATOM 0 HB3 ASN A 121 55.573 -13.628 3.670 1.00 0.00 H new ATOM 0 HD21 ASN A 121 53.535 -13.118 7.121 1.00 0.00 H new ATOM 0 HD22 ASN A 121 54.483 -11.858 6.324 1.00 0.00 H new