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 -151:sc= 1.73 USER MOD Set 1.2: A 93 CYS SG : rot 180:sc= 0.66 USER MOD Set 1.3: A 110 CYS SG : rot -74:sc= 0.68 USER MOD Set 1.4: A 111 SER OG : rot -77:sc= 0.82 USER MOD Set 1.5: A 114 CYS SG : rot -126:sc= 0.798 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= -0.0173 USER MOD Single : A 107 LYS NZ :NH3+ 142:sc= -1.77! (180deg=-4.08!) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.0108 USER MOD Single : A 119 SER OG : rot 180:sc= -0.237 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 86 58.062 14.488 1.912 1.00 0.00 N ATOM 40 CA GLU A 86 58.699 13.493 1.055 1.00 0.00 C ATOM 41 C GLU A 86 57.803 12.270 0.869 1.00 0.00 C ATOM 42 O GLU A 86 57.104 11.855 1.794 1.00 0.00 O ATOM 43 CB GLU A 86 60.043 13.068 1.649 1.00 0.00 C ATOM 44 CG GLU A 86 61.201 13.962 1.235 1.00 0.00 C ATOM 45 CD GLU A 86 61.985 13.395 0.068 1.00 0.00 C ATOM 46 OE1 GLU A 86 61.479 13.453 -1.072 1.00 0.00 O ATOM 47 OE2 GLU A 86 63.107 12.895 0.294 1.00 0.00 O ATOM 0 HA GLU A 86 58.864 13.947 0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 86 59.966 13.067 2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 86 60.258 12.044 1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 86 60.818 14.946 0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 86 61.870 14.101 2.084 1.00 0.00 H new ATOM 54 N PRO A 87 57.809 11.678 -0.339 1.00 0.00 N ATOM 55 CA PRO A 87 56.995 10.506 -0.652 1.00 0.00 C ATOM 56 C PRO A 87 57.680 9.192 -0.284 1.00 0.00 C ATOM 57 O PRO A 87 58.836 8.962 -0.638 1.00 0.00 O ATOM 58 CB PRO A 87 56.839 10.614 -2.165 1.00 0.00 C ATOM 59 CG PRO A 87 58.120 11.226 -2.627 1.00 0.00 C ATOM 60 CD PRO A 87 58.606 12.112 -1.504 1.00 0.00 C ATOM 0 HA PRO A 87 56.058 10.493 -0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 87 56.679 9.636 -2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 87 55.983 11.233 -2.433 1.00 0.00 H new ATOM 0 HG2 PRO A 87 58.856 10.456 -2.859 1.00 0.00 H new ATOM 0 HG3 PRO A 87 57.966 11.805 -3.538 1.00 0.00 H new ATOM 0 HD2 PRO A 87 59.674 11.984 -1.328 1.00 0.00 H new ATOM 0 HD3 PRO A 87 58.444 13.166 -1.728 1.00 0.00 H new ATOM 68 N ALA A 88 56.949 8.329 0.413 1.00 0.00 N ATOM 69 CA ALA A 88 57.466 7.028 0.814 1.00 0.00 C ATOM 70 C ALA A 88 56.782 5.931 0.009 1.00 0.00 C ATOM 71 O ALA A 88 55.752 6.170 -0.616 1.00 0.00 O ATOM 72 CB ALA A 88 57.255 6.811 2.305 1.00 0.00 C ATOM 0 H ALA A 88 55.991 8.510 0.713 1.00 0.00 H new ATOM 0 HA ALA A 88 58.537 6.993 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 88 57.647 5.834 2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 88 57.777 7.588 2.863 1.00 0.00 H new ATOM 0 HB3 ALA A 88 56.190 6.855 2.532 1.00 0.00 H new ATOM 78 N VAL A 89 57.346 4.731 0.020 1.00 0.00 N ATOM 79 CA VAL A 89 56.759 3.627 -0.727 1.00 0.00 C ATOM 80 C VAL A 89 56.791 2.333 0.073 1.00 0.00 C ATOM 81 O VAL A 89 57.846 1.904 0.540 1.00 0.00 O ATOM 82 CB VAL A 89 57.488 3.409 -2.067 1.00 0.00 C ATOM 83 CG1 VAL A 89 56.741 2.402 -2.929 1.00 0.00 C ATOM 84 CG2 VAL A 89 57.656 4.730 -2.803 1.00 0.00 C ATOM 0 H VAL A 89 58.198 4.499 0.531 1.00 0.00 H new ATOM 0 HA VAL A 89 55.721 3.898 -0.923 1.00 0.00 H new ATOM 0 HB VAL A 89 58.479 3.005 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 89 57.273 2.263 -3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 89 56.678 1.449 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 89 55.736 2.771 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 89 58.173 4.557 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 89 56.676 5.164 -3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 89 58.240 5.416 -2.190 1.00 0.00 H new ATOM 94 N CYS A 90 55.628 1.706 0.215 1.00 0.00 N ATOM 95 CA CYS A 90 55.529 0.451 0.946 1.00 0.00 C ATOM 96 C CYS A 90 56.117 -0.683 0.119 1.00 0.00 C ATOM 97 O CYS A 90 55.550 -1.086 -0.895 1.00 0.00 O ATOM 98 CB CYS A 90 54.075 0.142 1.299 1.00 0.00 C ATOM 99 SG CYS A 90 53.885 -1.220 2.473 1.00 0.00 S ATOM 0 H CYS A 90 54.745 2.046 -0.165 1.00 0.00 H new ATOM 0 HA CYS A 90 56.095 0.548 1.873 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.614 1.037 1.717 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.532 -0.099 0.385 1.00 0.00 H new ATOM 0 HG CYS A 90 52.750 -1.818 2.264 1.00 0.00 H new ATOM 104 N GLU A 91 57.270 -1.178 0.544 1.00 0.00 N ATOM 105 CA GLU A 91 57.955 -2.249 -0.169 1.00 0.00 C ATOM 106 C GLU A 91 57.065 -3.476 -0.367 1.00 0.00 C ATOM 107 O GLU A 91 57.353 -4.318 -1.217 1.00 0.00 O ATOM 108 CB GLU A 91 59.223 -2.650 0.585 1.00 0.00 C ATOM 109 CG GLU A 91 60.129 -3.576 -0.207 1.00 0.00 C ATOM 110 CD GLU A 91 61.351 -2.866 -0.757 1.00 0.00 C ATOM 111 OE1 GLU A 91 61.713 -3.126 -1.924 1.00 0.00 O ATOM 112 OE2 GLU A 91 61.945 -2.050 -0.022 1.00 0.00 O ATOM 0 H GLU A 91 57.753 -0.855 1.382 1.00 0.00 H new ATOM 0 HA GLU A 91 58.213 -1.867 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 91 59.778 -1.751 0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 91 58.943 -3.139 1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 91 60.449 -4.399 0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 91 59.565 -4.012 -1.031 1.00 0.00 H new ATOM 119 N MET A 92 55.999 -3.595 0.422 1.00 0.00 N ATOM 120 CA MET A 92 55.114 -4.750 0.310 1.00 0.00 C ATOM 121 C MET A 92 53.846 -4.441 -0.486 1.00 0.00 C ATOM 122 O MET A 92 53.562 -5.099 -1.487 1.00 0.00 O ATOM 123 CB MET A 92 54.736 -5.256 1.703 1.00 0.00 C ATOM 124 CG MET A 92 54.302 -6.711 1.723 1.00 0.00 C ATOM 125 SD MET A 92 55.655 -7.844 1.354 1.00 0.00 S ATOM 126 CE MET A 92 54.993 -9.383 1.986 1.00 0.00 C ATOM 0 H MET A 92 55.731 -2.917 1.135 1.00 0.00 H new ATOM 0 HA MET A 92 55.661 -5.521 -0.233 1.00 0.00 H new ATOM 0 HB2 MET A 92 55.589 -5.131 2.370 1.00 0.00 H new ATOM 0 HB3 MET A 92 53.929 -4.639 2.098 1.00 0.00 H new ATOM 0 HG2 MET A 92 53.890 -6.950 2.704 1.00 0.00 H new ATOM 0 HG3 MET A 92 53.502 -6.858 0.997 1.00 0.00 H new ATOM 0 HE1 MET A 92 55.718 -10.182 1.830 1.00 0.00 H new ATOM 0 HE2 MET A 92 54.789 -9.281 3.052 1.00 0.00 H new ATOM 0 HE3 MET A 92 54.068 -9.624 1.461 1.00 0.00 H new ATOM 136 N CYS A 93 53.068 -3.463 -0.029 1.00 0.00 N ATOM 137 CA CYS A 93 51.818 -3.105 -0.693 1.00 0.00 C ATOM 138 C CYS A 93 52.041 -2.226 -1.921 1.00 0.00 C ATOM 139 O CYS A 93 51.266 -2.282 -2.875 1.00 0.00 O ATOM 140 CB CYS A 93 50.893 -2.380 0.289 1.00 0.00 C ATOM 141 SG CYS A 93 50.720 -3.195 1.895 1.00 0.00 S ATOM 0 H CYS A 93 53.281 -2.905 0.798 1.00 0.00 H new ATOM 0 HA CYS A 93 51.358 -4.034 -1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 93 51.271 -1.370 0.447 1.00 0.00 H new ATOM 0 HB3 CYS A 93 49.906 -2.284 -0.164 1.00 0.00 H new ATOM 0 HG CYS A 93 49.921 -2.501 2.650 1.00 0.00 H new ATOM 146 N GLY A 94 53.090 -1.408 -1.898 1.00 0.00 N ATOM 147 CA GLY A 94 53.364 -0.531 -3.022 1.00 0.00 C ATOM 148 C GLY A 94 52.764 0.851 -2.838 1.00 0.00 C ATOM 149 O GLY A 94 53.198 1.812 -3.474 1.00 0.00 O ATOM 0 H GLY A 94 53.752 -1.337 -1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 94 54.442 -0.441 -3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 94 52.967 -0.978 -3.933 1.00 0.00 H new ATOM 153 N ILE A 95 51.761 0.951 -1.968 1.00 0.00 N ATOM 154 CA ILE A 95 51.097 2.224 -1.703 1.00 0.00 C ATOM 155 C ILE A 95 52.101 3.315 -1.344 1.00 0.00 C ATOM 156 O ILE A 95 53.004 3.101 -0.534 1.00 0.00 O ATOM 157 CB ILE A 95 50.068 2.094 -0.562 1.00 0.00 C ATOM 158 CG1 ILE A 95 49.112 0.928 -0.832 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.294 3.394 -0.394 1.00 0.00 C ATOM 160 CD1 ILE A 95 48.433 0.996 -2.183 1.00 0.00 C ATOM 0 H ILE A 95 51.391 0.165 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 95 50.581 2.503 -2.622 1.00 0.00 H new ATOM 0 HB ILE A 95 50.603 1.890 0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 95 49.666 -0.008 -0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 95 48.350 0.907 -0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 95 48.572 3.286 0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 95 49.986 4.202 -0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 95 48.769 3.627 -1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 95 47.772 0.137 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 95 47.850 1.915 -2.252 1.00 0.00 H new ATOM 0 HD13 ILE A 95 49.187 0.985 -2.970 1.00 0.00 H new ATOM 172 N VAL A 96 51.939 4.485 -1.956 1.00 0.00 N ATOM 173 CA VAL A 96 52.832 5.609 -1.705 1.00 0.00 C ATOM 174 C VAL A 96 52.120 6.721 -0.940 1.00 0.00 C ATOM 175 O VAL A 96 50.953 7.018 -1.196 1.00 0.00 O ATOM 176 CB VAL A 96 53.391 6.180 -3.022 1.00 0.00 C ATOM 177 CG1 VAL A 96 54.499 7.179 -2.743 1.00 0.00 C ATOM 178 CG2 VAL A 96 53.893 5.061 -3.920 1.00 0.00 C ATOM 0 H VAL A 96 51.197 4.678 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 96 53.656 5.232 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 96 52.584 6.699 -3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 96 54.881 7.571 -3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 96 54.107 7.999 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 96 55.306 6.685 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 96 54.284 5.485 -4.845 1.00 0.00 H new ATOM 0 HG22 VAL A 96 54.684 4.512 -3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 96 53.071 4.383 -4.150 1.00 0.00 H new ATOM 188 N GLY A 97 52.837 7.337 -0.004 1.00 0.00 N ATOM 189 CA GLY A 97 52.275 8.419 0.787 1.00 0.00 C ATOM 190 C GLY A 97 53.338 9.409 1.223 1.00 0.00 C ATOM 191 O GLY A 97 54.464 9.364 0.737 1.00 0.00 O ATOM 0 H GLY A 97 53.804 7.104 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.513 8.937 0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 97 51.779 8.007 1.666 1.00 0.00 H new ATOM 195 N THR A 98 52.992 10.295 2.150 1.00 0.00 N ATOM 196 CA THR A 98 53.944 11.281 2.654 1.00 0.00 C ATOM 197 C THR A 98 54.543 10.812 3.977 1.00 0.00 C ATOM 198 O THR A 98 53.856 10.204 4.796 1.00 0.00 O ATOM 199 CB THR A 98 53.272 12.644 2.838 1.00 0.00 C ATOM 200 OG1 THR A 98 52.261 12.578 3.829 1.00 0.00 O ATOM 201 CG2 THR A 98 52.642 13.179 1.570 1.00 0.00 C ATOM 0 H THR A 98 52.063 10.352 2.567 1.00 0.00 H new ATOM 0 HA THR A 98 54.743 11.386 1.920 1.00 0.00 H new ATOM 0 HB THR A 98 54.072 13.320 3.138 1.00 0.00 H new ATOM 0 HG1 THR A 98 51.846 13.460 3.932 1.00 0.00 H new ATOM 0 HG21 THR A 98 52.184 14.147 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 98 53.408 13.293 0.803 1.00 0.00 H new ATOM 0 HG23 THR A 98 51.880 12.483 1.221 1.00 0.00 H new ATOM 209 N ARG A 99 55.831 11.079 4.173 1.00 0.00 N ATOM 210 CA ARG A 99 56.534 10.671 5.389 1.00 0.00 C ATOM 211 C ARG A 99 55.722 10.956 6.653 1.00 0.00 C ATOM 212 O ARG A 99 55.677 10.132 7.567 1.00 0.00 O ATOM 213 CB ARG A 99 57.887 11.382 5.469 1.00 0.00 C ATOM 214 CG ARG A 99 59.069 10.433 5.575 1.00 0.00 C ATOM 215 CD ARG A 99 60.299 11.000 4.887 1.00 0.00 C ATOM 216 NE ARG A 99 61.151 9.949 4.336 1.00 0.00 N ATOM 217 CZ ARG A 99 62.435 10.120 4.028 1.00 0.00 C ATOM 218 NH1 ARG A 99 63.021 11.295 4.219 1.00 0.00 N ATOM 219 NH2 ARG A 99 63.137 9.110 3.531 1.00 0.00 N ATOM 0 H ARG A 99 56.414 11.579 3.502 1.00 0.00 H new ATOM 0 HA ARG A 99 56.682 9.593 5.334 1.00 0.00 H new ATOM 0 HB2 ARG A 99 58.012 12.007 4.585 1.00 0.00 H new ATOM 0 HB3 ARG A 99 57.888 12.047 6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 99 59.292 10.244 6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 99 58.809 9.474 5.127 1.00 0.00 H new ATOM 0 HD2 ARG A 99 59.989 11.672 4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 99 60.871 11.594 5.599 1.00 0.00 H new ATOM 0 HE ARG A 99 60.738 9.030 4.178 1.00 0.00 H new ATOM 0 HH11 ARG A 99 62.487 12.074 4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 99 64.005 11.419 3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 99 62.693 8.203 3.385 1.00 0.00 H new ATOM 0 HH22 ARG A 99 64.121 9.240 3.295 1.00 0.00 H new ATOM 233 N GLU A 100 55.093 12.127 6.709 1.00 0.00 N ATOM 234 CA GLU A 100 54.298 12.514 7.874 1.00 0.00 C ATOM 235 C GLU A 100 52.977 11.744 7.952 1.00 0.00 C ATOM 236 O GLU A 100 52.199 11.933 8.888 1.00 0.00 O ATOM 237 CB GLU A 100 54.020 14.017 7.839 1.00 0.00 C ATOM 238 CG GLU A 100 55.278 14.870 7.799 1.00 0.00 C ATOM 239 CD GLU A 100 55.174 16.018 6.814 1.00 0.00 C ATOM 240 OE1 GLU A 100 55.090 17.180 7.263 1.00 0.00 O ATOM 241 OE2 GLU A 100 55.175 15.755 5.593 1.00 0.00 O ATOM 0 H GLU A 100 55.117 12.824 5.964 1.00 0.00 H new ATOM 0 HA GLU A 100 54.878 12.265 8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 100 53.409 14.244 6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 100 53.434 14.290 8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 100 55.475 15.267 8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 100 56.129 14.243 7.532 1.00 0.00 H new ATOM 248 N ALA A 101 52.728 10.878 6.976 1.00 0.00 N ATOM 249 CA ALA A 101 51.503 10.088 6.951 1.00 0.00 C ATOM 250 C ALA A 101 51.804 8.602 7.128 1.00 0.00 C ATOM 251 O ALA A 101 50.997 7.856 7.682 1.00 0.00 O ATOM 252 CB ALA A 101 50.746 10.329 5.652 1.00 0.00 C ATOM 0 H ALA A 101 53.358 10.705 6.192 1.00 0.00 H new ATOM 0 HA ALA A 101 50.877 10.405 7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.833 9.733 5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.490 11.385 5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.372 10.041 4.807 1.00 0.00 H new ATOM 258 N PHE A 102 52.968 8.179 6.646 1.00 0.00 N ATOM 259 CA PHE A 102 53.374 6.782 6.743 1.00 0.00 C ATOM 260 C PHE A 102 53.952 6.466 8.120 1.00 0.00 C ATOM 261 O PHE A 102 54.347 7.364 8.864 1.00 0.00 O ATOM 262 CB PHE A 102 54.402 6.451 5.659 1.00 0.00 C ATOM 263 CG PHE A 102 53.826 5.698 4.494 1.00 0.00 C ATOM 264 CD1 PHE A 102 54.320 4.450 4.146 1.00 0.00 C ATOM 265 CD2 PHE A 102 52.792 6.237 3.746 1.00 0.00 C ATOM 266 CE1 PHE A 102 53.793 3.755 3.075 1.00 0.00 C ATOM 267 CE2 PHE A 102 52.261 5.546 2.673 1.00 0.00 C ATOM 268 CZ PHE A 102 52.762 4.303 2.337 1.00 0.00 C ATOM 0 H PHE A 102 53.647 8.784 6.184 1.00 0.00 H new ATOM 0 HA PHE A 102 52.486 6.167 6.597 1.00 0.00 H new ATOM 0 HB2 PHE A 102 54.848 7.378 5.297 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.206 5.862 6.100 1.00 0.00 H new ATOM 0 HD1 PHE A 102 55.126 4.016 4.719 1.00 0.00 H new ATOM 0 HD2 PHE A 102 52.396 7.208 4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 102 54.187 2.784 2.815 1.00 0.00 H new ATOM 0 HE2 PHE A 102 51.455 5.977 2.098 1.00 0.00 H new ATOM 0 HZ PHE A 102 52.348 3.761 1.499 1.00 0.00 H new ATOM 278 N PHE A 103 53.988 5.177 8.450 1.00 0.00 N ATOM 279 CA PHE A 103 54.507 4.713 9.736 1.00 0.00 C ATOM 280 C PHE A 103 55.815 5.420 10.090 1.00 0.00 C ATOM 281 O PHE A 103 56.806 5.310 9.372 1.00 0.00 O ATOM 282 CB PHE A 103 54.727 3.199 9.681 1.00 0.00 C ATOM 283 CG PHE A 103 54.661 2.509 11.017 1.00 0.00 C ATOM 284 CD1 PHE A 103 55.483 1.427 11.284 1.00 0.00 C ATOM 285 CD2 PHE A 103 53.776 2.930 11.999 1.00 0.00 C ATOM 286 CE1 PHE A 103 55.428 0.778 12.501 1.00 0.00 C ATOM 287 CE2 PHE A 103 53.718 2.285 13.221 1.00 0.00 C ATOM 288 CZ PHE A 103 54.545 1.207 13.471 1.00 0.00 C ATOM 0 H PHE A 103 53.661 4.429 7.839 1.00 0.00 H new ATOM 0 HA PHE A 103 53.777 4.950 10.510 1.00 0.00 H new ATOM 0 HB2 PHE A 103 53.978 2.760 9.022 1.00 0.00 H new ATOM 0 HB3 PHE A 103 55.701 3.002 9.233 1.00 0.00 H new ATOM 0 HD1 PHE A 103 56.177 1.086 10.530 1.00 0.00 H new ATOM 0 HD2 PHE A 103 53.125 3.770 11.807 1.00 0.00 H new ATOM 0 HE1 PHE A 103 56.075 -0.065 12.694 1.00 0.00 H new ATOM 0 HE2 PHE A 103 53.027 2.624 13.979 1.00 0.00 H new ATOM 0 HZ PHE A 103 54.501 0.701 14.424 1.00 0.00 H new ATOM 298 N SER A 104 55.803 6.156 11.196 1.00 0.00 N ATOM 299 CA SER A 104 56.982 6.894 11.640 1.00 0.00 C ATOM 300 C SER A 104 58.060 5.958 12.180 1.00 0.00 C ATOM 301 O SER A 104 59.250 6.263 12.108 1.00 0.00 O ATOM 302 CB SER A 104 56.594 7.910 12.715 1.00 0.00 C ATOM 303 OG SER A 104 55.354 8.524 12.412 1.00 0.00 O ATOM 0 H SER A 104 54.989 6.258 11.803 1.00 0.00 H new ATOM 0 HA SER A 104 57.390 7.416 10.775 1.00 0.00 H new ATOM 0 HB2 SER A 104 56.531 7.413 13.683 1.00 0.00 H new ATOM 0 HB3 SER A 104 57.370 8.671 12.797 1.00 0.00 H new ATOM 0 HG SER A 104 55.127 9.168 13.115 1.00 0.00 H new ATOM 309 N LYS A 105 57.638 4.824 12.728 1.00 0.00 N ATOM 310 CA LYS A 105 58.573 3.853 13.288 1.00 0.00 C ATOM 311 C LYS A 105 59.584 3.386 12.244 1.00 0.00 C ATOM 312 O LYS A 105 60.760 3.189 12.552 1.00 0.00 O ATOM 313 CB LYS A 105 57.815 2.650 13.851 1.00 0.00 C ATOM 314 CG LYS A 105 58.650 1.783 14.780 1.00 0.00 C ATOM 315 CD LYS A 105 59.103 2.556 16.008 1.00 0.00 C ATOM 316 CE LYS A 105 59.839 1.660 16.990 1.00 0.00 C ATOM 317 NZ LYS A 105 61.292 1.569 16.677 1.00 0.00 N ATOM 0 H LYS A 105 56.657 4.554 12.797 1.00 0.00 H new ATOM 0 HA LYS A 105 59.119 4.345 14.093 1.00 0.00 H new ATOM 0 HB2 LYS A 105 56.937 3.005 14.391 1.00 0.00 H new ATOM 0 HB3 LYS A 105 57.455 2.039 13.024 1.00 0.00 H new ATOM 0 HG2 LYS A 105 58.068 0.915 15.090 1.00 0.00 H new ATOM 0 HG3 LYS A 105 59.521 1.408 14.243 1.00 0.00 H new ATOM 0 HD2 LYS A 105 59.754 3.376 15.704 1.00 0.00 H new ATOM 0 HD3 LYS A 105 58.238 3.001 16.499 1.00 0.00 H new ATOM 0 HE2 LYS A 105 59.709 2.046 18.001 1.00 0.00 H new ATOM 0 HE3 LYS A 105 59.400 0.662 16.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 61.758 0.949 17.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 61.417 1.177 15.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 61.717 2.517 16.721 1.00 0.00 H new ATOM 331 N THR A 106 59.122 3.203 11.010 1.00 0.00 N ATOM 332 CA THR A 106 59.994 2.753 9.929 1.00 0.00 C ATOM 333 C THR A 106 59.889 3.666 8.712 1.00 0.00 C ATOM 334 O THR A 106 60.901 4.088 8.156 1.00 0.00 O ATOM 335 CB THR A 106 59.645 1.318 9.535 1.00 0.00 C ATOM 336 OG1 THR A 106 58.271 1.209 9.206 1.00 0.00 O ATOM 337 CG2 THR A 106 59.937 0.309 10.625 1.00 0.00 C ATOM 0 H THR A 106 58.152 3.359 10.734 1.00 0.00 H new ATOM 0 HA THR A 106 61.021 2.790 10.291 1.00 0.00 H new ATOM 0 HB THR A 106 60.277 1.093 8.676 1.00 0.00 H new ATOM 0 HG1 THR A 106 58.067 0.284 8.955 1.00 0.00 H new ATOM 0 HG21 THR A 106 59.666 -0.689 10.279 1.00 0.00 H new ATOM 0 HG22 THR A 106 60.999 0.333 10.868 1.00 0.00 H new ATOM 0 HG23 THR A 106 59.356 0.555 11.514 1.00 0.00 H new ATOM 345 N LYS A 107 58.652 3.952 8.301 1.00 0.00 N ATOM 346 CA LYS A 107 58.372 4.808 7.141 1.00 0.00 C ATOM 347 C LYS A 107 58.426 4.017 5.835 1.00 0.00 C ATOM 348 O LYS A 107 57.705 4.329 4.887 1.00 0.00 O ATOM 349 CB LYS A 107 59.331 6.003 7.071 1.00 0.00 C ATOM 350 CG LYS A 107 59.222 6.943 8.261 1.00 0.00 C ATOM 351 CD LYS A 107 58.231 8.066 7.992 1.00 0.00 C ATOM 352 CE LYS A 107 58.560 9.313 8.799 1.00 0.00 C ATOM 353 NZ LYS A 107 60.009 9.652 8.739 1.00 0.00 N ATOM 0 H LYS A 107 57.814 3.598 8.762 1.00 0.00 H new ATOM 0 HA LYS A 107 57.360 5.190 7.272 1.00 0.00 H new ATOM 0 HB2 LYS A 107 60.354 5.633 7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 107 59.134 6.563 6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 107 58.909 6.383 9.142 1.00 0.00 H new ATOM 0 HG3 LYS A 107 60.202 7.366 8.484 1.00 0.00 H new ATOM 0 HD2 LYS A 107 58.236 8.309 6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 107 57.224 7.729 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 107 57.976 10.153 8.423 1.00 0.00 H new ATOM 0 HE3 LYS A 107 58.266 9.160 9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 60.122 10.685 8.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 60.486 9.289 9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 60.432 9.219 7.893 1.00 0.00 H new ATOM 367 N ARG A 108 59.270 2.990 5.786 1.00 0.00 N ATOM 368 CA ARG A 108 59.389 2.166 4.590 1.00 0.00 C ATOM 369 C ARG A 108 58.063 1.477 4.289 1.00 0.00 C ATOM 370 O ARG A 108 57.590 1.488 3.153 1.00 0.00 O ATOM 371 CB ARG A 108 60.497 1.126 4.766 1.00 0.00 C ATOM 372 CG ARG A 108 61.889 1.668 4.488 1.00 0.00 C ATOM 373 CD ARG A 108 62.957 0.857 5.203 1.00 0.00 C ATOM 374 NE ARG A 108 62.890 1.021 6.654 1.00 0.00 N ATOM 375 CZ ARG A 108 63.517 0.227 7.520 1.00 0.00 C ATOM 376 NH1 ARG A 108 64.257 -0.786 7.087 1.00 0.00 N ATOM 377 NH2 ARG A 108 63.403 0.447 8.822 1.00 0.00 N ATOM 0 H ARG A 108 59.878 2.711 6.556 1.00 0.00 H new ATOM 0 HA ARG A 108 59.648 2.810 3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 108 60.463 0.740 5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.304 0.285 4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 108 62.078 1.654 3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 108 61.946 2.708 4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 108 62.840 -0.197 4.952 1.00 0.00 H new ATOM 0 HD3 ARG A 108 63.942 1.162 4.849 1.00 0.00 H new ATOM 0 HE ARG A 108 62.330 1.789 7.025 1.00 0.00 H new ATOM 0 HH11 ARG A 108 64.348 -0.960 6.086 1.00 0.00 H new ATOM 0 HH12 ARG A 108 64.735 -1.391 7.755 1.00 0.00 H new ATOM 0 HH21 ARG A 108 62.835 1.224 9.160 1.00 0.00 H new ATOM 0 HH22 ARG A 108 63.883 -0.161 9.486 1.00 0.00 H new ATOM 391 N PHE A 109 57.465 0.889 5.320 1.00 0.00 N ATOM 392 CA PHE A 109 56.185 0.205 5.176 1.00 0.00 C ATOM 393 C PHE A 109 55.062 1.044 5.774 1.00 0.00 C ATOM 394 O PHE A 109 55.250 1.720 6.786 1.00 0.00 O ATOM 395 CB PHE A 109 56.230 -1.166 5.852 1.00 0.00 C ATOM 396 CG PHE A 109 57.475 -1.947 5.542 1.00 0.00 C ATOM 397 CD1 PHE A 109 58.563 -1.904 6.398 1.00 0.00 C ATOM 398 CD2 PHE A 109 57.556 -2.725 4.397 1.00 0.00 C ATOM 399 CE1 PHE A 109 59.710 -2.623 6.120 1.00 0.00 C ATOM 400 CE2 PHE A 109 58.701 -3.445 4.114 1.00 0.00 C ATOM 401 CZ PHE A 109 59.779 -3.395 4.977 1.00 0.00 C ATOM 0 H PHE A 109 57.847 0.873 6.266 1.00 0.00 H new ATOM 0 HA PHE A 109 55.991 0.065 4.113 1.00 0.00 H new ATOM 0 HB2 PHE A 109 56.154 -1.033 6.931 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.361 -1.745 5.540 1.00 0.00 H new ATOM 0 HD1 PHE A 109 58.514 -1.302 7.293 1.00 0.00 H new ATOM 0 HD2 PHE A 109 56.716 -2.769 3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 109 60.551 -2.581 6.796 1.00 0.00 H new ATOM 0 HE2 PHE A 109 58.753 -4.047 3.219 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.674 -3.959 4.758 1.00 0.00 H new ATOM 411 N CYS A 110 53.899 1.011 5.135 1.00 0.00 N ATOM 412 CA CYS A 110 52.745 1.777 5.582 1.00 0.00 C ATOM 413 C CYS A 110 52.206 1.285 6.926 1.00 0.00 C ATOM 414 O CYS A 110 51.361 1.942 7.534 1.00 0.00 O ATOM 415 CB CYS A 110 51.643 1.699 4.523 1.00 0.00 C ATOM 416 SG CYS A 110 50.994 0.030 4.250 1.00 0.00 S ATOM 0 H CYS A 110 53.731 0.455 4.297 1.00 0.00 H new ATOM 0 HA CYS A 110 53.066 2.809 5.720 1.00 0.00 H new ATOM 0 HB2 CYS A 110 50.822 2.352 4.820 1.00 0.00 H new ATOM 0 HB3 CYS A 110 52.032 2.084 3.581 1.00 0.00 H new ATOM 0 HG CYS A 110 51.861 -0.668 3.579 1.00 0.00 H new ATOM 421 N SER A 111 52.681 0.131 7.388 1.00 0.00 N ATOM 422 CA SER A 111 52.214 -0.418 8.658 1.00 0.00 C ATOM 423 C SER A 111 53.258 -1.326 9.297 1.00 0.00 C ATOM 424 O SER A 111 54.111 -1.889 8.612 1.00 0.00 O ATOM 425 CB SER A 111 50.918 -1.203 8.447 1.00 0.00 C ATOM 426 OG SER A 111 51.190 -2.550 8.090 1.00 0.00 O ATOM 0 H SER A 111 53.380 -0.436 6.909 1.00 0.00 H new ATOM 0 HA SER A 111 52.034 0.420 9.331 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.321 -1.178 9.359 1.00 0.00 H new ATOM 0 HB3 SER A 111 50.325 -0.729 7.665 1.00 0.00 H new ATOM 0 HG SER A 111 51.464 -2.590 7.150 1.00 0.00 H new ATOM 432 N VAL A 112 53.166 -1.481 10.615 1.00 0.00 N ATOM 433 CA VAL A 112 54.085 -2.341 11.346 1.00 0.00 C ATOM 434 C VAL A 112 53.895 -3.789 10.914 1.00 0.00 C ATOM 435 O VAL A 112 54.850 -4.566 10.858 1.00 0.00 O ATOM 436 CB VAL A 112 53.877 -2.230 12.870 1.00 0.00 C ATOM 437 CG1 VAL A 112 52.467 -2.654 13.252 1.00 0.00 C ATOM 438 CG2 VAL A 112 54.912 -3.061 13.615 1.00 0.00 C ATOM 0 H VAL A 112 52.464 -1.022 11.196 1.00 0.00 H new ATOM 0 HA VAL A 112 55.099 -2.013 11.116 1.00 0.00 H new ATOM 0 HB VAL A 112 54.007 -1.187 13.158 1.00 0.00 H new ATOM 0 HG11 VAL A 112 52.341 -2.568 14.331 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.745 -2.010 12.750 1.00 0.00 H new ATOM 0 HG13 VAL A 112 52.303 -3.688 12.949 1.00 0.00 H new ATOM 0 HG21 VAL A 112 54.748 -2.969 14.689 1.00 0.00 H new ATOM 0 HG22 VAL A 112 54.819 -4.107 13.322 1.00 0.00 H new ATOM 0 HG23 VAL A 112 55.912 -2.703 13.369 1.00 0.00 H new ATOM 448 N SER A 113 52.651 -4.138 10.592 1.00 0.00 N ATOM 449 CA SER A 113 52.328 -5.485 10.144 1.00 0.00 C ATOM 450 C SER A 113 53.146 -5.828 8.906 1.00 0.00 C ATOM 451 O SER A 113 53.727 -6.909 8.810 1.00 0.00 O ATOM 452 CB SER A 113 50.834 -5.605 9.838 1.00 0.00 C ATOM 453 OG SER A 113 50.314 -6.836 10.310 1.00 0.00 O ATOM 0 H SER A 113 51.853 -3.505 10.634 1.00 0.00 H new ATOM 0 HA SER A 113 52.574 -6.187 10.941 1.00 0.00 H new ATOM 0 HB2 SER A 113 50.297 -4.778 10.302 1.00 0.00 H new ATOM 0 HB3 SER A 113 50.672 -5.527 8.763 1.00 0.00 H new ATOM 0 HG SER A 113 49.357 -6.888 10.104 1.00 0.00 H new ATOM 459 N CYS A 114 53.199 -4.887 7.966 1.00 0.00 N ATOM 460 CA CYS A 114 53.964 -5.078 6.739 1.00 0.00 C ATOM 461 C CYS A 114 55.435 -5.325 7.064 1.00 0.00 C ATOM 462 O CYS A 114 56.161 -5.938 6.282 1.00 0.00 O ATOM 463 CB CYS A 114 53.829 -3.854 5.830 1.00 0.00 C ATOM 464 SG CYS A 114 52.187 -3.649 5.100 1.00 0.00 S ATOM 0 H CYS A 114 52.722 -3.988 8.031 1.00 0.00 H new ATOM 0 HA CYS A 114 53.567 -5.949 6.218 1.00 0.00 H new ATOM 0 HB2 CYS A 114 54.073 -2.960 6.404 1.00 0.00 H new ATOM 0 HB3 CYS A 114 54.564 -3.928 5.028 1.00 0.00 H new ATOM 0 HG CYS A 114 52.296 -3.540 3.809 1.00 0.00 H new ATOM 469 N SER A 115 55.865 -4.845 8.230 1.00 0.00 N ATOM 470 CA SER A 115 57.245 -5.012 8.669 1.00 0.00 C ATOM 471 C SER A 115 57.487 -6.436 9.159 1.00 0.00 C ATOM 472 O SER A 115 58.436 -7.100 8.733 1.00 0.00 O ATOM 473 CB SER A 115 57.572 -4.013 9.781 1.00 0.00 C ATOM 474 OG SER A 115 58.956 -3.706 9.801 1.00 0.00 O ATOM 0 H SER A 115 55.274 -4.336 8.888 1.00 0.00 H new ATOM 0 HA SER A 115 57.899 -4.823 7.818 1.00 0.00 H new ATOM 0 HB2 SER A 115 56.996 -3.099 9.634 1.00 0.00 H new ATOM 0 HB3 SER A 115 57.274 -4.426 10.745 1.00 0.00 H new ATOM 0 HG SER A 115 59.138 -3.065 10.519 1.00 0.00 H new ATOM 480 N ARG A 116 56.613 -6.910 10.043 1.00 0.00 N ATOM 481 CA ARG A 116 56.729 -8.263 10.573 1.00 0.00 C ATOM 482 C ARG A 116 56.396 -9.289 9.495 1.00 0.00 C ATOM 483 O ARG A 116 56.809 -10.445 9.576 1.00 0.00 O ATOM 484 CB ARG A 116 55.804 -8.449 11.778 1.00 0.00 C ATOM 485 CG ARG A 116 54.354 -8.095 11.494 1.00 0.00 C ATOM 486 CD ARG A 116 53.441 -8.520 12.634 1.00 0.00 C ATOM 487 NE ARG A 116 52.336 -9.357 12.170 1.00 0.00 N ATOM 488 CZ ARG A 116 52.440 -10.664 11.941 1.00 0.00 C ATOM 489 NH1 ARG A 116 53.596 -11.290 12.131 1.00 0.00 N ATOM 490 NH2 ARG A 116 51.385 -11.349 11.522 1.00 0.00 N ATOM 0 H ARG A 116 55.821 -6.379 10.405 1.00 0.00 H new ATOM 0 HA ARG A 116 57.759 -8.416 10.896 1.00 0.00 H new ATOM 0 HB2 ARG A 116 55.858 -9.486 12.110 1.00 0.00 H new ATOM 0 HB3 ARG A 116 56.165 -7.832 12.601 1.00 0.00 H new ATOM 0 HG2 ARG A 116 54.265 -7.020 11.337 1.00 0.00 H new ATOM 0 HG3 ARG A 116 54.035 -8.579 10.571 1.00 0.00 H new ATOM 0 HD2 ARG A 116 54.021 -9.066 13.378 1.00 0.00 H new ATOM 0 HD3 ARG A 116 53.042 -7.634 13.128 1.00 0.00 H new ATOM 0 HE ARG A 116 51.431 -8.913 12.012 1.00 0.00 H new ATOM 0 HH11 ARG A 116 54.411 -10.769 12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 116 53.669 -12.292 11.954 1.00 0.00 H new ATOM 0 HH21 ARG A 116 50.494 -10.874 11.375 1.00 0.00 H new ATOM 0 HH22 ARG A 116 51.464 -12.351 11.346 1.00 0.00 H new ATOM 504 N SER A 117 55.661 -8.852 8.475 1.00 0.00 N ATOM 505 CA SER A 117 55.294 -9.730 7.374 1.00 0.00 C ATOM 506 C SER A 117 56.461 -9.862 6.406 1.00 0.00 C ATOM 507 O SER A 117 56.844 -10.967 6.027 1.00 0.00 O ATOM 508 CB SER A 117 54.061 -9.192 6.644 1.00 0.00 C ATOM 509 OG SER A 117 53.209 -10.250 6.237 1.00 0.00 O ATOM 0 H SER A 117 55.310 -7.898 8.391 1.00 0.00 H new ATOM 0 HA SER A 117 55.052 -10.713 7.778 1.00 0.00 H new ATOM 0 HB2 SER A 117 53.515 -8.512 7.298 1.00 0.00 H new ATOM 0 HB3 SER A 117 54.372 -8.616 5.773 1.00 0.00 H new ATOM 0 HG SER A 117 52.428 -9.881 5.775 1.00 0.00 H new ATOM 515 N TYR A 118 57.030 -8.725 6.014 1.00 0.00 N ATOM 516 CA TYR A 118 58.162 -8.708 5.097 1.00 0.00 C ATOM 517 C TYR A 118 59.390 -9.345 5.738 1.00 0.00 C ATOM 518 O TYR A 118 60.268 -9.858 5.046 1.00 0.00 O ATOM 519 CB TYR A 118 58.479 -7.265 4.697 1.00 0.00 C ATOM 520 CG TYR A 118 59.058 -7.123 3.310 1.00 0.00 C ATOM 521 CD1 TYR A 118 60.310 -7.639 3.001 1.00 0.00 C ATOM 522 CD2 TYR A 118 58.354 -6.465 2.310 1.00 0.00 C ATOM 523 CE1 TYR A 118 60.844 -7.504 1.733 1.00 0.00 C ATOM 524 CE2 TYR A 118 58.880 -6.326 1.041 1.00 0.00 C ATOM 525 CZ TYR A 118 60.125 -6.846 0.756 1.00 0.00 C ATOM 526 OH TYR A 118 60.652 -6.711 -0.508 1.00 0.00 O ATOM 0 H TYR A 118 56.723 -7.801 6.319 1.00 0.00 H new ATOM 0 HA TYR A 118 57.897 -9.285 4.211 1.00 0.00 H new ATOM 0 HB2 TYR A 118 57.566 -6.673 4.760 1.00 0.00 H new ATOM 0 HB3 TYR A 118 59.182 -6.846 5.417 1.00 0.00 H new ATOM 0 HD1 TYR A 118 60.875 -8.154 3.764 1.00 0.00 H new ATOM 0 HD2 TYR A 118 57.379 -6.055 2.529 1.00 0.00 H new ATOM 0 HE1 TYR A 118 61.819 -7.911 1.508 1.00 0.00 H new ATOM 0 HE2 TYR A 118 58.319 -5.812 0.275 1.00 0.00 H new ATOM 0 HH TYR A 118 60.019 -6.224 -1.076 1.00 0.00 H new ATOM 536 N SER A 119 59.447 -9.312 7.066 1.00 0.00 N ATOM 537 CA SER A 119 60.569 -9.892 7.793 1.00 0.00 C ATOM 538 C SER A 119 60.330 -11.371 8.085 1.00 0.00 C ATOM 539 O SER A 119 61.246 -12.189 7.996 1.00 0.00 O ATOM 540 CB SER A 119 60.807 -9.131 9.097 1.00 0.00 C ATOM 541 OG SER A 119 59.794 -9.416 10.046 1.00 0.00 O ATOM 0 H SER A 119 58.731 -8.891 7.658 1.00 0.00 H new ATOM 0 HA SER A 119 61.456 -9.808 7.165 1.00 0.00 H new ATOM 0 HB2 SER A 119 61.780 -9.401 9.507 1.00 0.00 H new ATOM 0 HB3 SER A 119 60.832 -8.060 8.897 1.00 0.00 H new ATOM 0 HG SER A 119 59.970 -8.918 10.872 1.00 0.00 H new ATOM 547 N SER A 120 59.095 -11.703 8.441 1.00 0.00 N ATOM 548 CA SER A 120 58.733 -13.081 8.757 1.00 0.00 C ATOM 549 C SER A 120 58.250 -13.840 7.521 1.00 0.00 C ATOM 550 O SER A 120 57.972 -15.037 7.595 1.00 0.00 O ATOM 551 CB SER A 120 57.649 -13.109 9.837 1.00 0.00 C ATOM 552 OG SER A 120 57.751 -14.279 10.632 1.00 0.00 O ATOM 0 H SER A 120 58.326 -11.037 8.518 1.00 0.00 H new ATOM 0 HA SER A 120 59.630 -13.578 9.126 1.00 0.00 H new ATOM 0 HB2 SER A 120 57.739 -12.226 10.470 1.00 0.00 H new ATOM 0 HB3 SER A 120 56.665 -13.067 9.370 1.00 0.00 H new ATOM 0 HG SER A 120 57.049 -14.272 11.315 1.00 0.00 H new ATOM 558 N ASN A 121 58.145 -13.150 6.387 1.00 0.00 N ATOM 559 CA ASN A 121 57.688 -13.785 5.156 1.00 0.00 C ATOM 560 C ASN A 121 58.478 -13.287 3.949 1.00 0.00 C ATOM 561 O ASN A 121 57.931 -13.144 2.856 1.00 0.00 O ATOM 562 CB ASN A 121 56.196 -13.521 4.945 1.00 0.00 C ATOM 563 CG ASN A 121 55.588 -14.444 3.907 1.00 0.00 C ATOM 564 OD1 ASN A 121 55.704 -15.665 4.001 1.00 0.00 O ATOM 565 ND2 ASN A 121 54.934 -13.861 2.908 1.00 0.00 N ATOM 0 H ASN A 121 58.369 -12.159 6.296 1.00 0.00 H new ATOM 0 HA ASN A 121 57.854 -14.858 5.253 1.00 0.00 H new ATOM 0 HB2 ASN A 121 55.670 -13.646 5.891 1.00 0.00 H new ATOM 0 HB3 ASN A 121 56.053 -12.486 4.635 1.00 0.00 H new ATOM 0 HD21 ASN A 121 54.503 -14.430 2.179 1.00 0.00 H new ATOM 0 HD22 ASN A 121 54.863 -12.844 2.870 1.00 0.00 H new