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 153:sc= 1.14 USER MOD Set 1.2: A 93 CYS SG : rot 180:sc= 0 USER MOD Set 1.3: A 110 CYS SG : rot 180:sc= 1.44 USER MOD Set 1.4: A 114 CYS SG : rot 160:sc= -2.76 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -2.94! USER MOD Single : A 104 SER OG : rot 180:sc= -0.171 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 65:sc= 0.725 USER MOD Single : A 107 LYS NZ :NH3+ -160:sc= -0.007 (180deg=-0.187) USER MOD Single : A 111 SER OG : rot 180:sc= 0.203 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 41:sc= 1.83 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 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -0.142 K(o=-0.14,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 86 57.304 14.447 1.565 1.00 0.00 N ATOM 40 CA GLU A 86 58.038 13.458 0.787 1.00 0.00 C ATOM 41 C GLU A 86 57.262 12.143 0.700 1.00 0.00 C ATOM 42 O GLU A 86 57.018 11.491 1.715 1.00 0.00 O ATOM 43 CB GLU A 86 59.413 13.213 1.411 1.00 0.00 C ATOM 44 CG GLU A 86 60.517 14.061 0.800 1.00 0.00 C ATOM 45 CD GLU A 86 61.421 13.267 -0.123 1.00 0.00 C ATOM 46 OE1 GLU A 86 61.235 13.354 -1.355 1.00 0.00 O ATOM 47 OE2 GLU A 86 62.316 12.560 0.385 1.00 0.00 O ATOM 0 HA GLU A 86 58.166 13.847 -0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 86 59.359 13.417 2.480 1.00 0.00 H new ATOM 0 HB3 GLU A 86 59.671 12.160 1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 86 60.071 14.886 0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 86 61.115 14.501 1.598 1.00 0.00 H new ATOM 54 N PRO A 87 56.865 11.733 -0.520 1.00 0.00 N ATOM 55 CA PRO A 87 56.115 10.488 -0.730 1.00 0.00 C ATOM 56 C PRO A 87 56.896 9.260 -0.272 1.00 0.00 C ATOM 57 O PRO A 87 58.018 9.024 -0.718 1.00 0.00 O ATOM 58 CB PRO A 87 55.901 10.439 -2.249 1.00 0.00 C ATOM 59 CG PRO A 87 56.111 11.837 -2.721 1.00 0.00 C ATOM 60 CD PRO A 87 57.113 12.444 -1.784 1.00 0.00 C ATOM 0 HA PRO A 87 55.188 10.476 -0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 87 56.604 9.754 -2.723 1.00 0.00 H new ATOM 0 HB3 PRO A 87 54.899 10.088 -2.494 1.00 0.00 H new ATOM 0 HG2 PRO A 87 56.478 11.851 -3.747 1.00 0.00 H new ATOM 0 HG3 PRO A 87 55.176 12.397 -2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 87 58.134 12.296 -2.136 1.00 0.00 H new ATOM 0 HD3 PRO A 87 56.965 13.519 -1.677 1.00 0.00 H new ATOM 68 N ALA A 88 56.294 8.480 0.620 1.00 0.00 N ATOM 69 CA ALA A 88 56.930 7.274 1.138 1.00 0.00 C ATOM 70 C ALA A 88 56.225 6.023 0.622 1.00 0.00 C ATOM 71 O ALA A 88 55.167 5.646 1.126 1.00 0.00 O ATOM 72 CB ALA A 88 56.930 7.294 2.659 1.00 0.00 C ATOM 0 H ALA A 88 55.365 8.662 1.000 1.00 0.00 H new ATOM 0 HA ALA A 88 57.961 7.251 0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 88 57.407 6.389 3.035 1.00 0.00 H new ATOM 0 HB2 ALA A 88 57.479 8.167 3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 88 55.903 7.340 3.022 1.00 0.00 H new ATOM 78 N VAL A 89 56.809 5.385 -0.388 1.00 0.00 N ATOM 79 CA VAL A 89 56.225 4.182 -0.971 1.00 0.00 C ATOM 80 C VAL A 89 56.508 2.953 -0.115 1.00 0.00 C ATOM 81 O VAL A 89 57.605 2.794 0.420 1.00 0.00 O ATOM 82 CB VAL A 89 56.759 3.931 -2.394 1.00 0.00 C ATOM 83 CG1 VAL A 89 55.969 2.824 -3.077 1.00 0.00 C ATOM 84 CG2 VAL A 89 56.717 5.211 -3.214 1.00 0.00 C ATOM 0 H VAL A 89 57.685 5.681 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 89 55.149 4.349 -1.014 1.00 0.00 H new ATOM 0 HB VAL A 89 57.798 3.609 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 89 56.362 2.663 -4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 89 56.059 1.904 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 89 54.920 3.112 -3.140 1.00 0.00 H new ATOM 0 HG21 VAL A 89 57.098 5.014 -4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 89 55.689 5.567 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 89 57.334 5.971 -2.734 1.00 0.00 H new ATOM 94 N CYS A 90 55.508 2.085 0.006 1.00 0.00 N ATOM 95 CA CYS A 90 55.646 0.864 0.797 1.00 0.00 C ATOM 96 C CYS A 90 56.552 -0.148 0.093 1.00 0.00 C ATOM 97 O CYS A 90 56.267 -0.574 -1.031 1.00 0.00 O ATOM 98 CB CYS A 90 54.274 0.252 1.069 1.00 0.00 C ATOM 99 SG CYS A 90 54.340 -1.309 1.972 1.00 0.00 S ATOM 0 H CYS A 90 54.595 2.203 -0.432 1.00 0.00 H new ATOM 0 HA CYS A 90 56.109 1.126 1.748 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.675 0.964 1.636 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.764 0.091 0.120 1.00 0.00 H new ATOM 0 HG CYS A 90 53.236 -1.471 2.639 1.00 0.00 H new ATOM 104 N GLU A 91 57.633 -0.531 0.787 1.00 0.00 N ATOM 105 CA GLU A 91 58.621 -1.490 0.274 1.00 0.00 C ATOM 106 C GLU A 91 58.132 -2.941 0.325 1.00 0.00 C ATOM 107 O GLU A 91 58.911 -3.870 0.112 1.00 0.00 O ATOM 108 CB GLU A 91 59.922 -1.372 1.069 1.00 0.00 C ATOM 109 CG GLU A 91 61.127 -1.949 0.345 1.00 0.00 C ATOM 110 CD GLU A 91 62.362 -1.079 0.479 1.00 0.00 C ATOM 111 OE1 GLU A 91 62.766 -0.463 -0.529 1.00 0.00 O ATOM 112 OE2 GLU A 91 62.925 -1.013 1.593 1.00 0.00 O ATOM 0 H GLU A 91 57.847 -0.184 1.722 1.00 0.00 H new ATOM 0 HA GLU A 91 58.785 -1.238 -0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 91 60.110 -0.321 1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.803 -1.883 2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 91 61.342 -2.942 0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 91 60.887 -2.072 -0.711 1.00 0.00 H new ATOM 119 N MET A 92 56.849 -3.131 0.585 1.00 0.00 N ATOM 120 CA MET A 92 56.265 -4.465 0.638 1.00 0.00 C ATOM 121 C MET A 92 55.230 -4.596 -0.466 1.00 0.00 C ATOM 122 O MET A 92 55.293 -5.497 -1.303 1.00 0.00 O ATOM 123 CB MET A 92 55.619 -4.715 2.007 1.00 0.00 C ATOM 124 CG MET A 92 54.783 -5.989 2.086 1.00 0.00 C ATOM 125 SD MET A 92 55.586 -7.414 1.324 1.00 0.00 S ATOM 126 CE MET A 92 54.221 -8.570 1.247 1.00 0.00 C ATOM 0 H MET A 92 56.188 -2.375 0.764 1.00 0.00 H new ATOM 0 HA MET A 92 57.048 -5.209 0.494 1.00 0.00 H new ATOM 0 HB2 MET A 92 56.404 -4.762 2.762 1.00 0.00 H new ATOM 0 HB3 MET A 92 54.986 -3.864 2.258 1.00 0.00 H new ATOM 0 HG2 MET A 92 54.574 -6.214 3.132 1.00 0.00 H new ATOM 0 HG3 MET A 92 53.823 -5.817 1.599 1.00 0.00 H new ATOM 0 HE1 MET A 92 54.560 -9.504 0.798 1.00 0.00 H new ATOM 0 HE2 MET A 92 53.852 -8.765 2.254 1.00 0.00 H new ATOM 0 HE3 MET A 92 53.419 -8.146 0.642 1.00 0.00 H new ATOM 136 N CYS A 93 54.284 -3.672 -0.453 1.00 0.00 N ATOM 137 CA CYS A 93 53.220 -3.631 -1.435 1.00 0.00 C ATOM 138 C CYS A 93 53.572 -2.661 -2.563 1.00 0.00 C ATOM 139 O CYS A 93 53.396 -2.969 -3.742 1.00 0.00 O ATOM 140 CB CYS A 93 51.914 -3.185 -0.763 1.00 0.00 C ATOM 141 SG CYS A 93 51.588 -3.943 0.854 1.00 0.00 S ATOM 0 H CYS A 93 54.235 -2.928 0.243 1.00 0.00 H new ATOM 0 HA CYS A 93 53.093 -4.629 -1.855 1.00 0.00 H new ATOM 0 HB2 CYS A 93 51.936 -2.102 -0.642 1.00 0.00 H new ATOM 0 HB3 CYS A 93 51.083 -3.414 -1.430 1.00 0.00 H new ATOM 0 HG CYS A 93 50.464 -3.492 1.326 1.00 0.00 H new ATOM 146 N GLY A 94 54.020 -1.466 -2.180 1.00 0.00 N ATOM 147 CA GLY A 94 54.333 -0.433 -3.150 1.00 0.00 C ATOM 148 C GLY A 94 53.390 0.750 -3.013 1.00 0.00 C ATOM 149 O GLY A 94 53.426 1.685 -3.813 1.00 0.00 O ATOM 0 H GLY A 94 54.172 -1.196 -1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 94 55.362 -0.100 -3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 94 54.263 -0.843 -4.158 1.00 0.00 H new ATOM 153 N ILE A 95 52.551 0.703 -1.975 1.00 0.00 N ATOM 154 CA ILE A 95 51.593 1.770 -1.696 1.00 0.00 C ATOM 155 C ILE A 95 52.317 3.105 -1.651 1.00 0.00 C ATOM 156 O ILE A 95 53.524 3.167 -1.884 1.00 0.00 O ATOM 157 CB ILE A 95 50.832 1.549 -0.361 1.00 0.00 C ATOM 158 CG1 ILE A 95 50.621 0.056 -0.078 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.490 2.266 -0.389 1.00 0.00 C ATOM 160 CD1 ILE A 95 50.063 -0.713 -1.255 1.00 0.00 C ATOM 0 H ILE A 95 52.518 -0.070 -1.311 1.00 0.00 H new ATOM 0 HA ILE A 95 50.855 1.763 -2.498 1.00 0.00 H new ATOM 0 HB ILE A 95 51.443 1.964 0.440 1.00 0.00 H new ATOM 0 HG12 ILE A 95 51.573 -0.387 0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 95 49.944 -0.052 0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 95 48.969 2.101 0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 95 49.651 3.334 -0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 95 48.887 1.877 -1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 95 49.941 -1.761 -0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 95 49.096 -0.296 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 95 50.750 -0.637 -2.098 1.00 0.00 H new ATOM 172 N VAL A 96 51.598 4.173 -1.354 1.00 0.00 N ATOM 173 CA VAL A 96 52.216 5.479 -1.295 1.00 0.00 C ATOM 174 C VAL A 96 51.631 6.325 -0.172 1.00 0.00 C ATOM 175 O VAL A 96 50.430 6.288 0.098 1.00 0.00 O ATOM 176 CB VAL A 96 52.085 6.217 -2.635 1.00 0.00 C ATOM 177 CG1 VAL A 96 53.082 7.359 -2.698 1.00 0.00 C ATOM 178 CG2 VAL A 96 52.305 5.263 -3.799 1.00 0.00 C ATOM 0 H VAL A 96 50.598 4.160 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 96 53.274 5.322 -1.087 1.00 0.00 H new ATOM 0 HB VAL A 96 51.076 6.621 -2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 96 52.982 7.877 -3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 96 52.887 8.057 -1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 96 54.094 6.964 -2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 96 52.208 5.807 -4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 96 53.303 4.831 -3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 96 51.562 4.467 -3.762 1.00 0.00 H new ATOM 188 N GLY A 97 52.501 7.091 0.467 1.00 0.00 N ATOM 189 CA GLY A 97 52.086 7.957 1.552 1.00 0.00 C ATOM 190 C GLY A 97 52.963 9.183 1.669 1.00 0.00 C ATOM 191 O GLY A 97 53.772 9.459 0.788 1.00 0.00 O ATOM 0 H GLY A 97 53.497 7.129 0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.052 8.265 1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 97 52.113 7.401 2.489 1.00 0.00 H new ATOM 195 N THR A 98 52.820 9.902 2.773 1.00 0.00 N ATOM 196 CA THR A 98 53.623 11.087 3.028 1.00 0.00 C ATOM 197 C THR A 98 54.620 10.796 4.144 1.00 0.00 C ATOM 198 O THR A 98 54.405 9.897 4.957 1.00 0.00 O ATOM 199 CB THR A 98 52.735 12.278 3.397 1.00 0.00 C ATOM 200 OG1 THR A 98 51.487 11.839 3.901 1.00 0.00 O ATOM 201 CG2 THR A 98 52.456 13.200 2.229 1.00 0.00 C ATOM 0 H THR A 98 52.150 9.683 3.510 1.00 0.00 H new ATOM 0 HA THR A 98 54.168 11.346 2.120 1.00 0.00 H new ATOM 0 HB THR A 98 53.294 12.830 4.153 1.00 0.00 H new ATOM 0 HG1 THR A 98 50.936 12.616 4.132 1.00 0.00 H new ATOM 0 HG21 THR A 98 51.822 14.023 2.558 1.00 0.00 H new ATOM 0 HG22 THR A 98 53.396 13.597 1.846 1.00 0.00 H new ATOM 0 HG23 THR A 98 51.949 12.644 1.440 1.00 0.00 H new ATOM 209 N ARG A 99 55.717 11.541 4.166 1.00 0.00 N ATOM 210 CA ARG A 99 56.764 11.349 5.168 1.00 0.00 C ATOM 211 C ARG A 99 56.196 11.121 6.571 1.00 0.00 C ATOM 212 O ARG A 99 56.756 10.353 7.354 1.00 0.00 O ATOM 213 CB ARG A 99 57.707 12.554 5.180 1.00 0.00 C ATOM 214 CG ARG A 99 59.112 12.226 5.661 1.00 0.00 C ATOM 215 CD ARG A 99 59.718 11.075 4.874 1.00 0.00 C ATOM 216 NE ARG A 99 61.176 11.148 4.826 1.00 0.00 N ATOM 217 CZ ARG A 99 61.961 10.107 4.560 1.00 0.00 C ATOM 218 NH1 ARG A 99 61.433 8.914 4.313 1.00 0.00 N ATOM 219 NH2 ARG A 99 63.278 10.259 4.538 1.00 0.00 N ATOM 0 H ARG A 99 55.908 12.288 3.499 1.00 0.00 H new ATOM 0 HA ARG A 99 57.314 10.450 4.889 1.00 0.00 H new ATOM 0 HB2 ARG A 99 57.765 12.969 4.174 1.00 0.00 H new ATOM 0 HB3 ARG A 99 57.285 13.328 5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 99 59.746 13.108 5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 99 59.084 11.969 6.720 1.00 0.00 H new ATOM 0 HD2 ARG A 99 59.418 10.130 5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 99 59.322 11.083 3.859 1.00 0.00 H new ATOM 0 HE ARG A 99 61.618 12.049 5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 99 60.420 8.792 4.326 1.00 0.00 H new ATOM 0 HH12 ARG A 99 62.040 8.120 4.110 1.00 0.00 H new ATOM 0 HH21 ARG A 99 63.689 11.174 4.725 1.00 0.00 H new ATOM 0 HH22 ARG A 99 63.880 9.461 4.334 1.00 0.00 H new ATOM 233 N GLU A 100 55.101 11.801 6.897 1.00 0.00 N ATOM 234 CA GLU A 100 54.494 11.674 8.221 1.00 0.00 C ATOM 235 C GLU A 100 53.298 10.718 8.231 1.00 0.00 C ATOM 236 O GLU A 100 53.093 9.985 9.199 1.00 0.00 O ATOM 237 CB GLU A 100 54.057 13.049 8.727 1.00 0.00 C ATOM 238 CG GLU A 100 55.216 13.993 9.000 1.00 0.00 C ATOM 239 CD GLU A 100 55.034 14.782 10.281 1.00 0.00 C ATOM 240 OE1 GLU A 100 55.289 14.219 11.367 1.00 0.00 O ATOM 241 OE2 GLU A 100 54.635 15.963 10.200 1.00 0.00 O ATOM 0 H GLU A 100 54.617 12.442 6.268 1.00 0.00 H new ATOM 0 HA GLU A 100 55.252 11.253 8.882 1.00 0.00 H new ATOM 0 HB2 GLU A 100 53.394 13.504 7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 100 53.478 12.923 9.642 1.00 0.00 H new ATOM 0 HG2 GLU A 100 56.141 13.420 9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 100 55.322 14.684 8.164 1.00 0.00 H new ATOM 248 N ALA A 101 52.499 10.747 7.170 1.00 0.00 N ATOM 249 CA ALA A 101 51.310 9.897 7.085 1.00 0.00 C ATOM 250 C ALA A 101 51.648 8.407 7.093 1.00 0.00 C ATOM 251 O ALA A 101 50.768 7.572 7.303 1.00 0.00 O ATOM 252 CB ALA A 101 50.503 10.241 5.844 1.00 0.00 C ATOM 0 H ALA A 101 52.649 11.346 6.358 1.00 0.00 H new ATOM 0 HA ALA A 101 50.715 10.096 7.977 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.622 9.601 5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.191 11.284 5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.116 10.084 4.956 1.00 0.00 H new ATOM 258 N PHE A 102 52.912 8.067 6.859 1.00 0.00 N ATOM 259 CA PHE A 102 53.322 6.665 6.839 1.00 0.00 C ATOM 260 C PHE A 102 53.876 6.225 8.192 1.00 0.00 C ATOM 261 O PHE A 102 53.992 7.025 9.120 1.00 0.00 O ATOM 262 CB PHE A 102 54.364 6.427 5.742 1.00 0.00 C ATOM 263 CG PHE A 102 53.855 5.578 4.610 1.00 0.00 C ATOM 264 CD1 PHE A 102 52.554 5.717 4.155 1.00 0.00 C ATOM 265 CD2 PHE A 102 54.676 4.641 4.001 1.00 0.00 C ATOM 266 CE1 PHE A 102 52.081 4.942 3.115 1.00 0.00 C ATOM 267 CE2 PHE A 102 54.208 3.861 2.960 1.00 0.00 C ATOM 268 CZ PHE A 102 52.909 4.012 2.517 1.00 0.00 C ATOM 0 H PHE A 102 53.663 8.734 6.682 1.00 0.00 H new ATOM 0 HA PHE A 102 52.437 6.066 6.626 1.00 0.00 H new ATOM 0 HB2 PHE A 102 54.691 7.389 5.347 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.240 5.948 6.180 1.00 0.00 H new ATOM 0 HD1 PHE A 102 51.901 6.441 4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 102 55.693 4.519 4.344 1.00 0.00 H new ATOM 0 HE1 PHE A 102 51.065 5.063 2.769 1.00 0.00 H new ATOM 0 HE2 PHE A 102 54.857 3.135 2.494 1.00 0.00 H new ATOM 0 HZ PHE A 102 52.541 3.404 1.704 1.00 0.00 H new ATOM 278 N PHE A 103 54.220 4.945 8.288 1.00 0.00 N ATOM 279 CA PHE A 103 54.769 4.388 9.518 1.00 0.00 C ATOM 280 C PHE A 103 56.084 5.084 9.870 1.00 0.00 C ATOM 281 O PHE A 103 57.023 5.088 9.082 1.00 0.00 O ATOM 282 CB PHE A 103 54.968 2.875 9.360 1.00 0.00 C ATOM 283 CG PHE A 103 55.487 2.193 10.593 1.00 0.00 C ATOM 284 CD1 PHE A 103 56.393 1.149 10.491 1.00 0.00 C ATOM 285 CD2 PHE A 103 55.064 2.587 11.853 1.00 0.00 C ATOM 286 CE1 PHE A 103 56.868 0.513 11.621 1.00 0.00 C ATOM 287 CE2 PHE A 103 55.537 1.955 12.986 1.00 0.00 C ATOM 288 CZ PHE A 103 56.440 0.916 12.870 1.00 0.00 C ATOM 0 H PHE A 103 54.128 4.273 7.526 1.00 0.00 H new ATOM 0 HA PHE A 103 54.069 4.558 10.336 1.00 0.00 H new ATOM 0 HB2 PHE A 103 54.017 2.422 9.080 1.00 0.00 H new ATOM 0 HB3 PHE A 103 55.661 2.694 8.539 1.00 0.00 H new ATOM 0 HD1 PHE A 103 56.731 0.829 9.517 1.00 0.00 H new ATOM 0 HD2 PHE A 103 54.357 3.397 11.950 1.00 0.00 H new ATOM 0 HE1 PHE A 103 57.574 -0.299 11.528 1.00 0.00 H new ATOM 0 HE2 PHE A 103 55.201 2.273 13.962 1.00 0.00 H new ATOM 0 HZ PHE A 103 56.810 0.420 13.755 1.00 0.00 H new ATOM 298 N SER A 104 56.129 5.702 11.046 1.00 0.00 N ATOM 299 CA SER A 104 57.315 6.436 11.489 1.00 0.00 C ATOM 300 C SER A 104 58.483 5.513 11.837 1.00 0.00 C ATOM 301 O SER A 104 59.575 5.647 11.286 1.00 0.00 O ATOM 302 CB SER A 104 56.967 7.302 12.701 1.00 0.00 C ATOM 303 OG SER A 104 56.533 6.506 13.789 1.00 0.00 O ATOM 0 H SER A 104 55.357 5.710 11.713 1.00 0.00 H new ATOM 0 HA SER A 104 57.633 7.062 10.656 1.00 0.00 H new ATOM 0 HB2 SER A 104 57.839 7.885 12.998 1.00 0.00 H new ATOM 0 HB3 SER A 104 56.185 8.013 12.432 1.00 0.00 H new ATOM 0 HG SER A 104 56.318 7.083 14.551 1.00 0.00 H new ATOM 309 N LYS A 105 58.254 4.597 12.774 1.00 0.00 N ATOM 310 CA LYS A 105 59.290 3.667 13.228 1.00 0.00 C ATOM 311 C LYS A 105 60.137 3.117 12.077 1.00 0.00 C ATOM 312 O LYS A 105 61.311 2.796 12.267 1.00 0.00 O ATOM 313 CB LYS A 105 58.655 2.512 14.004 1.00 0.00 C ATOM 314 CG LYS A 105 59.271 2.293 15.377 1.00 0.00 C ATOM 315 CD LYS A 105 60.118 1.031 15.414 1.00 0.00 C ATOM 316 CE LYS A 105 59.276 -0.198 15.719 1.00 0.00 C ATOM 317 NZ LYS A 105 60.062 -1.455 15.590 1.00 0.00 N ATOM 0 H LYS A 105 57.354 4.477 13.238 1.00 0.00 H new ATOM 0 HA LYS A 105 59.959 4.230 13.879 1.00 0.00 H new ATOM 0 HB2 LYS A 105 57.589 2.705 14.120 1.00 0.00 H new ATOM 0 HB3 LYS A 105 58.752 1.596 13.421 1.00 0.00 H new ATOM 0 HG2 LYS A 105 59.886 3.153 15.642 1.00 0.00 H new ATOM 0 HG3 LYS A 105 58.481 2.224 16.124 1.00 0.00 H new ATOM 0 HD2 LYS A 105 60.620 0.900 14.455 1.00 0.00 H new ATOM 0 HD3 LYS A 105 60.897 1.136 16.170 1.00 0.00 H new ATOM 0 HE2 LYS A 105 58.876 -0.122 16.730 1.00 0.00 H new ATOM 0 HE3 LYS A 105 58.424 -0.232 15.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 59.452 -2.269 15.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 60.423 -1.541 14.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 60.861 -1.435 16.255 1.00 0.00 H new ATOM 331 N THR A 106 59.547 3.000 10.891 1.00 0.00 N ATOM 332 CA THR A 106 60.273 2.477 9.735 1.00 0.00 C ATOM 333 C THR A 106 60.198 3.431 8.547 1.00 0.00 C ATOM 334 O THR A 106 61.222 3.806 7.976 1.00 0.00 O ATOM 335 CB THR A 106 59.720 1.111 9.333 1.00 0.00 C ATOM 336 OG1 THR A 106 59.410 0.338 10.478 1.00 0.00 O ATOM 337 CG2 THR A 106 60.678 0.306 8.481 1.00 0.00 C ATOM 0 H THR A 106 58.578 3.257 10.704 1.00 0.00 H new ATOM 0 HA THR A 106 61.319 2.375 10.024 1.00 0.00 H new ATOM 0 HB THR A 106 58.826 1.322 8.746 1.00 0.00 H new ATOM 0 HG1 THR A 106 58.679 0.764 10.972 1.00 0.00 H new ATOM 0 HG21 THR A 106 60.224 -0.653 8.230 1.00 0.00 H new ATOM 0 HG22 THR A 106 60.898 0.854 7.565 1.00 0.00 H new ATOM 0 HG23 THR A 106 61.602 0.137 9.034 1.00 0.00 H new ATOM 345 N LYS A 107 58.981 3.813 8.174 1.00 0.00 N ATOM 346 CA LYS A 107 58.771 4.718 7.045 1.00 0.00 C ATOM 347 C LYS A 107 59.050 4.018 5.716 1.00 0.00 C ATOM 348 O LYS A 107 59.125 4.663 4.670 1.00 0.00 O ATOM 349 CB LYS A 107 59.660 5.959 7.179 1.00 0.00 C ATOM 350 CG LYS A 107 58.962 7.252 6.790 1.00 0.00 C ATOM 351 CD LYS A 107 58.232 7.871 7.972 1.00 0.00 C ATOM 352 CE LYS A 107 58.948 9.112 8.483 1.00 0.00 C ATOM 353 NZ LYS A 107 60.368 8.829 8.831 1.00 0.00 N ATOM 0 H LYS A 107 58.123 3.511 8.636 1.00 0.00 H new ATOM 0 HA LYS A 107 57.726 5.026 7.057 1.00 0.00 H new ATOM 0 HB2 LYS A 107 60.006 6.038 8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 107 60.544 5.831 6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 107 59.695 7.960 6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 107 58.253 7.056 5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 107 57.216 8.132 7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 107 58.153 7.139 8.776 1.00 0.00 H new ATOM 0 HE2 LYS A 107 58.909 9.893 7.723 1.00 0.00 H new ATOM 0 HE3 LYS A 107 58.428 9.495 9.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 60.722 9.567 9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 60.433 7.903 9.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 60.943 8.819 7.964 1.00 0.00 H new ATOM 367 N ARG A 108 59.202 2.697 5.760 1.00 0.00 N ATOM 368 CA ARG A 108 59.470 1.919 4.557 1.00 0.00 C ATOM 369 C ARG A 108 58.214 1.191 4.090 1.00 0.00 C ATOM 370 O ARG A 108 58.003 1.003 2.892 1.00 0.00 O ATOM 371 CB ARG A 108 60.588 0.909 4.820 1.00 0.00 C ATOM 372 CG ARG A 108 61.966 1.396 4.403 1.00 0.00 C ATOM 373 CD ARG A 108 63.016 1.036 5.441 1.00 0.00 C ATOM 374 NE ARG A 108 63.227 2.114 6.403 1.00 0.00 N ATOM 375 CZ ARG A 108 64.164 3.054 6.278 1.00 0.00 C ATOM 376 NH1 ARG A 108 64.971 3.068 5.223 1.00 0.00 N ATOM 377 NH2 ARG A 108 64.290 3.989 7.211 1.00 0.00 N ATOM 0 H ARG A 108 59.144 2.145 6.616 1.00 0.00 H new ATOM 0 HA ARG A 108 59.784 2.606 3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 108 60.604 0.668 5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.363 -0.015 4.287 1.00 0.00 H new ATOM 0 HG2 ARG A 108 62.235 0.955 3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 108 61.945 2.477 4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 108 62.709 0.134 5.970 1.00 0.00 H new ATOM 0 HD3 ARG A 108 63.957 0.807 4.941 1.00 0.00 H new ATOM 0 HE ARG A 108 62.620 2.150 7.222 1.00 0.00 H new ATOM 0 HH11 ARG A 108 64.877 2.355 4.499 1.00 0.00 H new ATOM 0 HH12 ARG A 108 65.685 3.791 5.136 1.00 0.00 H new ATOM 0 HH21 ARG A 108 63.671 3.987 8.022 1.00 0.00 H new ATOM 0 HH22 ARG A 108 65.006 4.709 7.118 1.00 0.00 H new ATOM 391 N PHE A 109 57.387 0.775 5.045 1.00 0.00 N ATOM 392 CA PHE A 109 56.156 0.058 4.731 1.00 0.00 C ATOM 393 C PHE A 109 54.929 0.848 5.177 1.00 0.00 C ATOM 394 O PHE A 109 55.036 1.800 5.950 1.00 0.00 O ATOM 395 CB PHE A 109 56.176 -1.326 5.378 1.00 0.00 C ATOM 396 CG PHE A 109 57.435 -2.090 5.076 1.00 0.00 C ATOM 397 CD1 PHE A 109 58.504 -2.065 5.958 1.00 0.00 C ATOM 398 CD2 PHE A 109 57.556 -2.820 3.903 1.00 0.00 C ATOM 399 CE1 PHE A 109 59.669 -2.752 5.675 1.00 0.00 C ATOM 400 CE2 PHE A 109 58.717 -3.511 3.617 1.00 0.00 C ATOM 401 CZ PHE A 109 59.775 -3.476 4.503 1.00 0.00 C ATOM 0 H PHE A 109 57.547 0.922 6.042 1.00 0.00 H new ATOM 0 HA PHE A 109 56.095 -0.062 3.649 1.00 0.00 H new ATOM 0 HB2 PHE A 109 56.071 -1.219 6.458 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.316 -1.898 5.029 1.00 0.00 H new ATOM 0 HD1 PHE A 109 58.425 -1.502 6.877 1.00 0.00 H new ATOM 0 HD2 PHE A 109 56.732 -2.848 3.205 1.00 0.00 H new ATOM 0 HE1 PHE A 109 60.496 -2.723 6.369 1.00 0.00 H new ATOM 0 HE2 PHE A 109 58.797 -4.078 2.701 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.685 -4.014 4.280 1.00 0.00 H new ATOM 411 N CYS A 110 53.768 0.460 4.661 1.00 0.00 N ATOM 412 CA CYS A 110 52.519 1.142 4.976 1.00 0.00 C ATOM 413 C CYS A 110 52.212 1.111 6.470 1.00 0.00 C ATOM 414 O CYS A 110 51.694 2.085 7.016 1.00 0.00 O ATOM 415 CB CYS A 110 51.339 0.554 4.179 1.00 0.00 C ATOM 416 SG CYS A 110 51.402 -1.236 3.889 1.00 0.00 S ATOM 0 H CYS A 110 53.666 -0.327 4.020 1.00 0.00 H new ATOM 0 HA CYS A 110 52.651 2.183 4.682 1.00 0.00 H new ATOM 0 HB2 CYS A 110 50.415 0.786 4.709 1.00 0.00 H new ATOM 0 HB3 CYS A 110 51.288 1.059 3.214 1.00 0.00 H new ATOM 0 HG CYS A 110 50.355 -1.603 3.212 1.00 0.00 H new ATOM 421 N SER A 111 52.508 -0.004 7.133 1.00 0.00 N ATOM 422 CA SER A 111 52.226 -0.128 8.559 1.00 0.00 C ATOM 423 C SER A 111 53.216 -1.060 9.247 1.00 0.00 C ATOM 424 O SER A 111 53.778 -1.959 8.621 1.00 0.00 O ATOM 425 CB SER A 111 50.814 -0.675 8.760 1.00 0.00 C ATOM 426 OG SER A 111 50.801 -2.092 8.644 1.00 0.00 O ATOM 0 H SER A 111 52.939 -0.826 6.710 1.00 0.00 H new ATOM 0 HA SER A 111 52.317 0.864 9.001 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.442 -0.382 9.742 1.00 0.00 H new ATOM 0 HB3 SER A 111 50.141 -0.239 8.021 1.00 0.00 H new ATOM 0 HG SER A 111 49.888 -2.423 8.778 1.00 0.00 H new ATOM 432 N VAL A 112 53.410 -0.850 10.546 1.00 0.00 N ATOM 433 CA VAL A 112 54.314 -1.685 11.327 1.00 0.00 C ATOM 434 C VAL A 112 54.011 -3.162 11.086 1.00 0.00 C ATOM 435 O VAL A 112 54.912 -4.002 11.073 1.00 0.00 O ATOM 436 CB VAL A 112 54.200 -1.383 12.836 1.00 0.00 C ATOM 437 CG1 VAL A 112 52.819 -1.751 13.359 1.00 0.00 C ATOM 438 CG2 VAL A 112 55.284 -2.118 13.610 1.00 0.00 C ATOM 0 H VAL A 112 52.953 -0.109 11.078 1.00 0.00 H new ATOM 0 HA VAL A 112 55.330 -1.459 11.003 1.00 0.00 H new ATOM 0 HB VAL A 112 54.341 -0.312 12.982 1.00 0.00 H new ATOM 0 HG11 VAL A 112 52.763 -1.529 14.425 1.00 0.00 H new ATOM 0 HG12 VAL A 112 52.063 -1.173 12.828 1.00 0.00 H new ATOM 0 HG13 VAL A 112 52.641 -2.815 13.200 1.00 0.00 H new ATOM 0 HG21 VAL A 112 55.188 -1.893 14.672 1.00 0.00 H new ATOM 0 HG22 VAL A 112 55.177 -3.192 13.455 1.00 0.00 H new ATOM 0 HG23 VAL A 112 56.264 -1.796 13.258 1.00 0.00 H new ATOM 448 N SER A 113 52.730 -3.461 10.884 1.00 0.00 N ATOM 449 CA SER A 113 52.289 -4.826 10.629 1.00 0.00 C ATOM 450 C SER A 113 52.842 -5.323 9.300 1.00 0.00 C ATOM 451 O SER A 113 53.346 -6.442 9.204 1.00 0.00 O ATOM 452 CB SER A 113 50.761 -4.900 10.621 1.00 0.00 C ATOM 453 OG SER A 113 50.313 -6.234 10.794 1.00 0.00 O ATOM 0 H SER A 113 51.978 -2.772 10.892 1.00 0.00 H new ATOM 0 HA SER A 113 52.667 -5.464 11.427 1.00 0.00 H new ATOM 0 HB2 SER A 113 50.359 -4.272 11.417 1.00 0.00 H new ATOM 0 HB3 SER A 113 50.380 -4.504 9.680 1.00 0.00 H new ATOM 0 HG SER A 113 49.333 -6.254 10.787 1.00 0.00 H new ATOM 459 N CYS A 114 52.753 -4.483 8.274 1.00 0.00 N ATOM 460 CA CYS A 114 53.260 -4.849 6.957 1.00 0.00 C ATOM 461 C CYS A 114 54.744 -5.207 7.037 1.00 0.00 C ATOM 462 O CYS A 114 55.183 -6.205 6.467 1.00 0.00 O ATOM 463 CB CYS A 114 53.049 -3.709 5.962 1.00 0.00 C ATOM 464 SG CYS A 114 53.257 -4.198 4.233 1.00 0.00 S ATOM 0 H CYS A 114 52.339 -3.553 8.328 1.00 0.00 H new ATOM 0 HA CYS A 114 52.706 -5.721 6.609 1.00 0.00 H new ATOM 0 HB2 CYS A 114 52.046 -3.303 6.097 1.00 0.00 H new ATOM 0 HB3 CYS A 114 53.751 -2.907 6.189 1.00 0.00 H new ATOM 0 HG CYS A 114 52.673 -3.328 3.463 1.00 0.00 H new ATOM 469 N SER A 115 55.508 -4.386 7.754 1.00 0.00 N ATOM 470 CA SER A 115 56.941 -4.617 7.917 1.00 0.00 C ATOM 471 C SER A 115 57.197 -5.976 8.561 1.00 0.00 C ATOM 472 O SER A 115 57.797 -6.864 7.948 1.00 0.00 O ATOM 473 CB SER A 115 57.568 -3.509 8.766 1.00 0.00 C ATOM 474 OG SER A 115 58.946 -3.359 8.473 1.00 0.00 O ATOM 0 H SER A 115 55.159 -3.555 8.231 1.00 0.00 H new ATOM 0 HA SER A 115 57.402 -4.607 6.929 1.00 0.00 H new ATOM 0 HB2 SER A 115 57.049 -2.568 8.582 1.00 0.00 H new ATOM 0 HB3 SER A 115 57.441 -3.741 9.823 1.00 0.00 H new ATOM 0 HG SER A 115 59.085 -3.434 7.506 1.00 0.00 H new ATOM 480 N ARG A 116 56.727 -6.143 9.799 1.00 0.00 N ATOM 481 CA ARG A 116 56.900 -7.406 10.508 1.00 0.00 C ATOM 482 C ARG A 116 56.422 -8.566 9.641 1.00 0.00 C ATOM 483 O ARG A 116 56.898 -9.694 9.774 1.00 0.00 O ATOM 484 CB ARG A 116 56.150 -7.394 11.843 1.00 0.00 C ATOM 485 CG ARG A 116 54.713 -6.908 11.740 1.00 0.00 C ATOM 486 CD ARG A 116 53.738 -8.064 11.572 1.00 0.00 C ATOM 487 NE ARG A 116 53.218 -8.533 12.856 1.00 0.00 N ATOM 488 CZ ARG A 116 53.692 -9.590 13.517 1.00 0.00 C ATOM 489 NH1 ARG A 116 54.697 -10.303 13.021 1.00 0.00 N ATOM 490 NH2 ARG A 116 53.157 -9.935 14.680 1.00 0.00 N ATOM 0 H ARG A 116 56.229 -5.425 10.325 1.00 0.00 H new ATOM 0 HA ARG A 116 57.962 -7.536 10.718 1.00 0.00 H new ATOM 0 HB2 ARG A 116 56.153 -8.401 12.259 1.00 0.00 H new ATOM 0 HB3 ARG A 116 56.689 -6.758 12.545 1.00 0.00 H new ATOM 0 HG2 ARG A 116 54.455 -6.342 12.635 1.00 0.00 H new ATOM 0 HG3 ARG A 116 54.619 -6.227 10.894 1.00 0.00 H new ATOM 0 HD2 ARG A 116 52.909 -7.750 10.938 1.00 0.00 H new ATOM 0 HD3 ARG A 116 54.236 -8.887 11.060 1.00 0.00 H new ATOM 0 HE ARG A 116 52.442 -8.018 13.273 1.00 0.00 H new ATOM 0 HH11 ARG A 116 55.114 -10.044 12.127 1.00 0.00 H new ATOM 0 HH12 ARG A 116 55.052 -11.110 13.534 1.00 0.00 H new ATOM 0 HH21 ARG A 116 52.385 -9.393 15.067 1.00 0.00 H new ATOM 0 HH22 ARG A 116 53.518 -10.743 15.188 1.00 0.00 H new ATOM 504 N SER A 117 55.494 -8.273 8.730 1.00 0.00 N ATOM 505 CA SER A 117 54.977 -9.282 7.818 1.00 0.00 C ATOM 506 C SER A 117 56.069 -9.691 6.840 1.00 0.00 C ATOM 507 O SER A 117 56.431 -10.863 6.750 1.00 0.00 O ATOM 508 CB SER A 117 53.765 -8.745 7.053 1.00 0.00 C ATOM 509 OG SER A 117 52.910 -9.800 6.647 1.00 0.00 O ATOM 0 H SER A 117 55.088 -7.345 8.607 1.00 0.00 H new ATOM 0 HA SER A 117 54.662 -10.151 8.396 1.00 0.00 H new ATOM 0 HB2 SER A 117 53.213 -8.047 7.683 1.00 0.00 H new ATOM 0 HB3 SER A 117 54.101 -8.188 6.178 1.00 0.00 H new ATOM 0 HG SER A 117 52.143 -9.431 6.162 1.00 0.00 H new ATOM 515 N TYR A 118 56.601 -8.708 6.115 1.00 0.00 N ATOM 516 CA TYR A 118 57.666 -8.948 5.146 1.00 0.00 C ATOM 517 C TYR A 118 58.775 -9.795 5.755 1.00 0.00 C ATOM 518 O TYR A 118 59.331 -10.676 5.100 1.00 0.00 O ATOM 519 CB TYR A 118 58.243 -7.610 4.672 1.00 0.00 C ATOM 520 CG TYR A 118 58.906 -7.665 3.313 1.00 0.00 C ATOM 521 CD1 TYR A 118 58.515 -6.802 2.298 1.00 0.00 C ATOM 522 CD2 TYR A 118 59.924 -8.572 3.045 1.00 0.00 C ATOM 523 CE1 TYR A 118 59.114 -6.841 1.055 1.00 0.00 C ATOM 524 CE2 TYR A 118 60.530 -8.617 1.803 1.00 0.00 C ATOM 525 CZ TYR A 118 60.121 -7.751 0.812 1.00 0.00 C ATOM 526 OH TYR A 118 60.720 -7.796 -0.426 1.00 0.00 O ATOM 0 H TYR A 118 56.309 -7.733 6.182 1.00 0.00 H new ATOM 0 HA TYR A 118 57.244 -9.489 4.299 1.00 0.00 H new ATOM 0 HB2 TYR A 118 57.442 -6.872 4.643 1.00 0.00 H new ATOM 0 HB3 TYR A 118 58.971 -7.261 5.405 1.00 0.00 H new ATOM 0 HD1 TYR A 118 57.727 -6.087 2.485 1.00 0.00 H new ATOM 0 HD2 TYR A 118 60.247 -9.252 3.819 1.00 0.00 H new ATOM 0 HE1 TYR A 118 58.796 -6.163 0.277 1.00 0.00 H new ATOM 0 HE2 TYR A 118 61.320 -9.328 1.610 1.00 0.00 H new ATOM 0 HH TYR A 118 61.410 -8.492 -0.430 1.00 0.00 H new ATOM 536 N SER A 119 59.091 -9.521 7.015 1.00 0.00 N ATOM 537 CA SER A 119 60.139 -10.254 7.716 1.00 0.00 C ATOM 538 C SER A 119 59.736 -11.704 7.968 1.00 0.00 C ATOM 539 O SER A 119 60.463 -12.632 7.615 1.00 0.00 O ATOM 540 CB SER A 119 60.468 -9.568 9.042 1.00 0.00 C ATOM 541 OG SER A 119 61.691 -10.045 9.573 1.00 0.00 O ATOM 0 H SER A 119 58.637 -8.797 7.572 1.00 0.00 H new ATOM 0 HA SER A 119 61.024 -10.255 7.080 1.00 0.00 H new ATOM 0 HB2 SER A 119 60.529 -8.490 8.892 1.00 0.00 H new ATOM 0 HB3 SER A 119 59.664 -9.746 9.756 1.00 0.00 H new ATOM 0 HG SER A 119 61.880 -9.590 10.420 1.00 0.00 H new ATOM 547 N SER A 120 58.581 -11.889 8.591 1.00 0.00 N ATOM 548 CA SER A 120 58.083 -13.225 8.907 1.00 0.00 C ATOM 549 C SER A 120 57.533 -13.941 7.672 1.00 0.00 C ATOM 550 O SER A 120 57.121 -15.098 7.757 1.00 0.00 O ATOM 551 CB SER A 120 56.996 -13.140 9.979 1.00 0.00 C ATOM 552 OG SER A 120 57.547 -12.790 11.236 1.00 0.00 O ATOM 0 H SER A 120 57.968 -11.130 8.889 1.00 0.00 H new ATOM 0 HA SER A 120 58.926 -13.806 9.280 1.00 0.00 H new ATOM 0 HB2 SER A 120 56.250 -12.401 9.687 1.00 0.00 H new ATOM 0 HB3 SER A 120 56.482 -14.098 10.057 1.00 0.00 H new ATOM 0 HG SER A 120 56.832 -12.740 11.904 1.00 0.00 H new ATOM 558 N ASN A 121 57.521 -13.257 6.531 1.00 0.00 N ATOM 559 CA ASN A 121 57.013 -13.850 5.298 1.00 0.00 C ATOM 560 C ASN A 121 58.132 -14.058 4.281 1.00 0.00 C ATOM 561 O ASN A 121 58.025 -14.905 3.395 1.00 0.00 O ATOM 562 CB ASN A 121 55.920 -12.966 4.695 1.00 0.00 C ATOM 563 CG ASN A 121 54.848 -13.773 3.989 1.00 0.00 C ATOM 564 OD1 ASN A 121 54.691 -14.969 4.236 1.00 0.00 O ATOM 565 ND2 ASN A 121 54.103 -13.121 3.103 1.00 0.00 N ATOM 0 H ASN A 121 57.855 -12.298 6.435 1.00 0.00 H new ATOM 0 HA ASN A 121 56.592 -14.824 5.546 1.00 0.00 H new ATOM 0 HB2 ASN A 121 55.462 -12.370 5.484 1.00 0.00 H new ATOM 0 HB3 ASN A 121 56.370 -12.268 3.989 1.00 0.00 H new ATOM 0 HD21 ASN A 121 53.366 -13.612 2.596 1.00 0.00 H new ATOM 0 HD22 ASN A 121 54.268 -12.129 2.929 1.00 0.00 H new