USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=17 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 119 SER OG : rot 180:sc= -0.34 USER MOD Set 1.2: A 120 SER OG : rot 92:sc= 0.672 USER MOD Set 2.1: A 92 MET CE :methyl -142:sc= -0.518 (180deg=-0.68) USER MOD Set 2.2: A 117 SER OG : rot 160:sc= -0.513 USER MOD Set 2.3: A 121 ASN : amide:sc= -0.0308 X(o=-1.1,f=-1.5) USER MOD Set 3.1: A 90 CYS SG : rot 150:sc= 0.985 USER MOD Set 3.2: A 93 CYS SG : rot 68:sc= 0.121 USER MOD Set 3.3: A 110 CYS SG : rot 180:sc= 0.62 USER MOD Set 3.4: A 111 SER OG : rot -75:sc= 1.65 USER MOD Set 3.5: A 113 SER OG : rot -28:sc= 0.912 USER MOD Set 3.6: A 114 CYS SG : rot 153:sc= 0.847 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+ 162:sc=-0.000753 (180deg=-0.116) USER MOD Single : A 106 THR OG1 : rot 78:sc= 0.159 USER MOD Single : A 107 LYS NZ :NH3+ -155:sc= -0.661 (180deg=-1.56!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 86 58.093 13.833 2.150 1.00 0.00 N ATOM 40 CA GLU A 86 58.825 12.925 1.273 1.00 0.00 C ATOM 41 C GLU A 86 58.021 11.648 1.011 1.00 0.00 C ATOM 42 O GLU A 86 57.536 11.012 1.946 1.00 0.00 O ATOM 43 CB GLU A 86 60.181 12.573 1.890 1.00 0.00 C ATOM 44 CG GLU A 86 61.340 13.361 1.301 1.00 0.00 C ATOM 45 CD GLU A 86 62.231 12.514 0.413 1.00 0.00 C ATOM 46 OE1 GLU A 86 62.044 12.551 -0.821 1.00 0.00 O ATOM 47 OE2 GLU A 86 63.115 11.816 0.952 1.00 0.00 O ATOM 0 HA GLU A 86 58.986 13.430 0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 86 60.139 12.752 2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 86 60.369 11.508 1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 86 60.949 14.198 0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 86 61.936 13.783 2.110 1.00 0.00 H new ATOM 54 N PRO A 87 57.861 11.256 -0.269 1.00 0.00 N ATOM 55 CA PRO A 87 57.105 10.053 -0.638 1.00 0.00 C ATOM 56 C PRO A 87 57.758 8.769 -0.133 1.00 0.00 C ATOM 57 O PRO A 87 58.933 8.513 -0.394 1.00 0.00 O ATOM 58 CB PRO A 87 57.100 10.072 -2.173 1.00 0.00 C ATOM 59 CG PRO A 87 57.510 11.454 -2.558 1.00 0.00 C ATOM 60 CD PRO A 87 58.394 11.950 -1.452 1.00 0.00 C ATOM 0 HA PRO A 87 56.109 10.063 -0.195 1.00 0.00 H new ATOM 0 HB2 PRO A 87 57.791 9.331 -2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 87 56.111 9.833 -2.565 1.00 0.00 H new ATOM 0 HG2 PRO A 87 58.041 11.452 -3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 87 56.640 12.099 -2.680 1.00 0.00 H new ATOM 0 HD2 PRO A 87 59.440 11.701 -1.629 1.00 0.00 H new ATOM 0 HD3 PRO A 87 58.337 13.033 -1.345 1.00 0.00 H new ATOM 68 N ALA A 88 56.981 7.963 0.585 1.00 0.00 N ATOM 69 CA ALA A 88 57.472 6.699 1.121 1.00 0.00 C ATOM 70 C ALA A 88 56.691 5.525 0.540 1.00 0.00 C ATOM 71 O ALA A 88 55.561 5.255 0.949 1.00 0.00 O ATOM 72 CB ALA A 88 57.380 6.698 2.640 1.00 0.00 C ATOM 0 H ALA A 88 56.006 8.164 0.809 1.00 0.00 H new ATOM 0 HA ALA A 88 58.518 6.588 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 88 57.750 5.748 3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 88 57.983 7.513 3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 88 56.341 6.832 2.942 1.00 0.00 H new ATOM 78 N VAL A 89 57.296 4.834 -0.420 1.00 0.00 N ATOM 79 CA VAL A 89 56.655 3.693 -1.065 1.00 0.00 C ATOM 80 C VAL A 89 56.746 2.439 -0.199 1.00 0.00 C ATOM 81 O VAL A 89 57.813 2.102 0.313 1.00 0.00 O ATOM 82 CB VAL A 89 57.289 3.393 -2.440 1.00 0.00 C ATOM 83 CG1 VAL A 89 56.416 2.433 -3.234 1.00 0.00 C ATOM 84 CG2 VAL A 89 57.527 4.681 -3.218 1.00 0.00 C ATOM 0 H VAL A 89 58.231 5.044 -0.769 1.00 0.00 H new ATOM 0 HA VAL A 89 55.608 3.962 -1.201 1.00 0.00 H new ATOM 0 HB VAL A 89 58.255 2.916 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 89 56.880 2.234 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 89 56.309 1.498 -2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 89 55.433 2.878 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 89 57.974 4.445 -4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 89 56.577 5.193 -3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 89 58.200 5.327 -2.654 1.00 0.00 H new ATOM 94 N CYS A 90 55.619 1.748 -0.048 1.00 0.00 N ATOM 95 CA CYS A 90 55.570 0.526 0.747 1.00 0.00 C ATOM 96 C CYS A 90 56.095 -0.659 -0.058 1.00 0.00 C ATOM 97 O CYS A 90 55.581 -0.970 -1.131 1.00 0.00 O ATOM 98 CB CYS A 90 54.139 0.249 1.212 1.00 0.00 C ATOM 99 SG CYS A 90 54.003 -1.081 2.428 1.00 0.00 S ATOM 0 H CYS A 90 54.728 2.014 -0.466 1.00 0.00 H new ATOM 0 HA CYS A 90 56.205 0.663 1.622 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.724 1.162 1.640 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.529 -0.002 0.345 1.00 0.00 H new ATOM 0 HG CYS A 90 52.982 -0.859 3.202 1.00 0.00 H new ATOM 104 N GLU A 91 57.129 -1.308 0.460 1.00 0.00 N ATOM 105 CA GLU A 91 57.733 -2.451 -0.215 1.00 0.00 C ATOM 106 C GLU A 91 56.806 -3.666 -0.212 1.00 0.00 C ATOM 107 O GLU A 91 56.976 -4.582 -1.016 1.00 0.00 O ATOM 108 CB GLU A 91 59.059 -2.813 0.454 1.00 0.00 C ATOM 109 CG GLU A 91 60.137 -1.756 0.284 1.00 0.00 C ATOM 110 CD GLU A 91 60.737 -1.755 -1.109 1.00 0.00 C ATOM 111 OE1 GLU A 91 61.896 -2.196 -1.255 1.00 0.00 O ATOM 112 OE2 GLU A 91 60.048 -1.313 -2.051 1.00 0.00 O ATOM 0 H GLU A 91 57.568 -1.063 1.347 1.00 0.00 H new ATOM 0 HA GLU A 91 57.909 -2.166 -1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.887 -2.976 1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.419 -3.756 0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 91 59.714 -0.774 0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 91 60.927 -1.926 1.016 1.00 0.00 H new ATOM 119 N MET A 92 55.839 -3.680 0.700 1.00 0.00 N ATOM 120 CA MET A 92 54.911 -4.802 0.802 1.00 0.00 C ATOM 121 C MET A 92 53.681 -4.607 -0.083 1.00 0.00 C ATOM 122 O MET A 92 53.387 -5.441 -0.939 1.00 0.00 O ATOM 123 CB MET A 92 54.477 -4.997 2.256 1.00 0.00 C ATOM 124 CG MET A 92 53.973 -6.399 2.557 1.00 0.00 C ATOM 125 SD MET A 92 55.308 -7.603 2.695 1.00 0.00 S ATOM 126 CE MET A 92 54.394 -9.068 3.174 1.00 0.00 C ATOM 0 H MET A 92 55.678 -2.933 1.375 1.00 0.00 H new ATOM 0 HA MET A 92 55.435 -5.692 0.453 1.00 0.00 H new ATOM 0 HB2 MET A 92 55.319 -4.774 2.911 1.00 0.00 H new ATOM 0 HB3 MET A 92 53.691 -4.279 2.492 1.00 0.00 H new ATOM 0 HG2 MET A 92 53.405 -6.385 3.487 1.00 0.00 H new ATOM 0 HG3 MET A 92 53.287 -6.711 1.769 1.00 0.00 H new ATOM 0 HE1 MET A 92 54.973 -9.636 3.902 1.00 0.00 H new ATOM 0 HE2 MET A 92 53.442 -8.774 3.617 1.00 0.00 H new ATOM 0 HE3 MET A 92 54.210 -9.686 2.295 1.00 0.00 H new ATOM 136 N CYS A 93 52.951 -3.517 0.140 1.00 0.00 N ATOM 137 CA CYS A 93 51.740 -3.235 -0.624 1.00 0.00 C ATOM 138 C CYS A 93 52.036 -2.433 -1.889 1.00 0.00 C ATOM 139 O CYS A 93 51.343 -2.575 -2.896 1.00 0.00 O ATOM 140 CB CYS A 93 50.742 -2.463 0.246 1.00 0.00 C ATOM 141 SG CYS A 93 50.590 -3.087 1.938 1.00 0.00 S ATOM 0 H CYS A 93 53.178 -2.815 0.844 1.00 0.00 H new ATOM 0 HA CYS A 93 51.313 -4.192 -0.925 1.00 0.00 H new ATOM 0 HB2 CYS A 93 51.044 -1.416 0.283 1.00 0.00 H new ATOM 0 HB3 CYS A 93 49.762 -2.495 -0.230 1.00 0.00 H new ATOM 0 HG CYS A 93 51.698 -2.869 2.582 1.00 0.00 H new ATOM 146 N GLY A 94 53.057 -1.585 -1.833 1.00 0.00 N ATOM 147 CA GLY A 94 53.404 -0.771 -2.985 1.00 0.00 C ATOM 148 C GLY A 94 52.682 0.563 -2.991 1.00 0.00 C ATOM 149 O GLY A 94 52.609 1.230 -4.022 1.00 0.00 O ATOM 0 H GLY A 94 53.649 -1.446 -1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 94 54.480 -0.598 -2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 94 53.162 -1.316 -3.897 1.00 0.00 H new ATOM 153 N ILE A 95 52.161 0.958 -1.833 1.00 0.00 N ATOM 154 CA ILE A 95 51.457 2.226 -1.706 1.00 0.00 C ATOM 155 C ILE A 95 52.418 3.325 -1.287 1.00 0.00 C ATOM 156 O ILE A 95 53.236 3.139 -0.387 1.00 0.00 O ATOM 157 CB ILE A 95 50.309 2.140 -0.680 1.00 0.00 C ATOM 158 CG1 ILE A 95 49.440 0.912 -0.955 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.470 3.409 -0.717 1.00 0.00 C ATOM 160 CD1 ILE A 95 48.725 0.964 -2.288 1.00 0.00 C ATOM 0 H ILE A 95 52.214 0.417 -0.970 1.00 0.00 H new ATOM 0 HA ILE A 95 51.032 2.458 -2.682 1.00 0.00 H new ATOM 0 HB ILE A 95 50.739 2.041 0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 95 50.065 0.020 -0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 95 48.702 0.814 -0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 95 48.664 3.333 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 95 50.098 4.267 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 95 49.047 3.537 -1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 95 48.128 0.061 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 95 48.074 1.837 -2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 95 49.458 1.031 -3.092 1.00 0.00 H new ATOM 172 N VAL A 96 52.326 4.463 -1.956 1.00 0.00 N ATOM 173 CA VAL A 96 53.199 5.587 -1.664 1.00 0.00 C ATOM 174 C VAL A 96 52.429 6.726 -1.006 1.00 0.00 C ATOM 175 O VAL A 96 51.318 7.058 -1.421 1.00 0.00 O ATOM 176 CB VAL A 96 53.877 6.102 -2.945 1.00 0.00 C ATOM 177 CG1 VAL A 96 55.084 6.957 -2.602 1.00 0.00 C ATOM 178 CG2 VAL A 96 54.282 4.942 -3.843 1.00 0.00 C ATOM 0 H VAL A 96 51.655 4.632 -2.705 1.00 0.00 H new ATOM 0 HA VAL A 96 53.963 5.233 -0.972 1.00 0.00 H new ATOM 0 HB VAL A 96 53.160 6.719 -3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 96 55.551 7.312 -3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 96 54.767 7.810 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 96 55.802 6.363 -2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 96 54.760 5.328 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 96 54.980 4.296 -3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 96 53.397 4.369 -4.119 1.00 0.00 H new ATOM 188 N GLY A 97 53.031 7.327 0.015 1.00 0.00 N ATOM 189 CA GLY A 97 52.398 8.432 0.711 1.00 0.00 C ATOM 190 C GLY A 97 53.415 9.395 1.290 1.00 0.00 C ATOM 191 O GLY A 97 54.618 9.205 1.125 1.00 0.00 O ATOM 0 H GLY A 97 53.950 7.067 0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.743 8.967 0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 97 51.769 8.043 1.512 1.00 0.00 H new ATOM 195 N THR A 98 52.939 10.423 1.983 1.00 0.00 N ATOM 196 CA THR A 98 53.828 11.402 2.597 1.00 0.00 C ATOM 197 C THR A 98 54.351 10.877 3.931 1.00 0.00 C ATOM 198 O THR A 98 53.600 10.297 4.712 1.00 0.00 O ATOM 199 CB THR A 98 53.099 12.729 2.806 1.00 0.00 C ATOM 200 OG1 THR A 98 52.107 12.604 3.808 1.00 0.00 O ATOM 201 CG2 THR A 98 52.424 13.245 1.554 1.00 0.00 C ATOM 0 H THR A 98 51.946 10.600 2.133 1.00 0.00 H new ATOM 0 HA THR A 98 54.672 11.569 1.928 1.00 0.00 H new ATOM 0 HB THR A 98 53.872 13.439 3.102 1.00 0.00 H new ATOM 0 HG1 THR A 98 51.653 13.464 3.928 1.00 0.00 H new ATOM 0 HG21 THR A 98 51.926 14.189 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 98 53.171 13.400 0.776 1.00 0.00 H new ATOM 0 HG23 THR A 98 51.688 12.517 1.211 1.00 0.00 H new ATOM 209 N ARG A 99 55.646 11.065 4.178 1.00 0.00 N ATOM 210 CA ARG A 99 56.279 10.594 5.411 1.00 0.00 C ATOM 211 C ARG A 99 55.421 10.872 6.648 1.00 0.00 C ATOM 212 O ARG A 99 55.366 10.054 7.567 1.00 0.00 O ATOM 213 CB ARG A 99 57.655 11.245 5.575 1.00 0.00 C ATOM 214 CG ARG A 99 58.799 10.245 5.625 1.00 0.00 C ATOM 215 CD ARG A 99 59.995 10.720 4.815 1.00 0.00 C ATOM 216 NE ARG A 99 60.742 11.768 5.508 1.00 0.00 N ATOM 217 CZ ARG A 99 62.026 12.039 5.281 1.00 0.00 C ATOM 218 NH1 ARG A 99 62.708 11.350 4.373 1.00 0.00 N ATOM 219 NH2 ARG A 99 62.629 13.003 5.962 1.00 0.00 N ATOM 0 H ARG A 99 56.281 11.542 3.538 1.00 0.00 H new ATOM 0 HA ARG A 99 56.389 9.513 5.326 1.00 0.00 H new ATOM 0 HB2 ARG A 99 57.822 11.935 4.748 1.00 0.00 H new ATOM 0 HB3 ARG A 99 57.661 11.837 6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 99 59.100 10.087 6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 99 58.459 9.283 5.242 1.00 0.00 H new ATOM 0 HD2 ARG A 99 60.655 9.876 4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 99 59.654 11.095 3.850 1.00 0.00 H new ATOM 0 HE ARG A 99 60.251 12.325 6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 99 62.249 10.608 3.845 1.00 0.00 H new ATOM 0 HH12 ARG A 99 63.691 11.563 4.204 1.00 0.00 H new ATOM 0 HH21 ARG A 99 62.110 13.537 6.659 1.00 0.00 H new ATOM 0 HH22 ARG A 99 63.612 13.211 5.789 1.00 0.00 H new ATOM 233 N GLU A 100 54.765 12.029 6.676 1.00 0.00 N ATOM 234 CA GLU A 100 53.926 12.407 7.813 1.00 0.00 C ATOM 235 C GLU A 100 52.635 11.586 7.880 1.00 0.00 C ATOM 236 O GLU A 100 51.787 11.828 8.739 1.00 0.00 O ATOM 237 CB GLU A 100 53.584 13.896 7.740 1.00 0.00 C ATOM 238 CG GLU A 100 54.736 14.806 8.138 1.00 0.00 C ATOM 239 CD GLU A 100 54.361 15.771 9.247 1.00 0.00 C ATOM 240 OE1 GLU A 100 54.144 15.311 10.387 1.00 0.00 O ATOM 241 OE2 GLU A 100 54.285 16.988 8.974 1.00 0.00 O ATOM 0 H GLU A 100 54.797 12.721 5.927 1.00 0.00 H new ATOM 0 HA GLU A 100 54.497 12.200 8.718 1.00 0.00 H new ATOM 0 HB2 GLU A 100 53.274 14.140 6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 100 52.732 14.097 8.390 1.00 0.00 H new ATOM 0 HG2 GLU A 100 55.580 14.197 8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 100 55.066 15.371 7.266 1.00 0.00 H new ATOM 248 N ALA A 101 52.487 10.619 6.980 1.00 0.00 N ATOM 249 CA ALA A 101 51.298 9.776 6.953 1.00 0.00 C ATOM 250 C ALA A 101 51.658 8.298 7.097 1.00 0.00 C ATOM 251 O ALA A 101 50.817 7.480 7.469 1.00 0.00 O ATOM 252 CB ALA A 101 50.521 10.009 5.666 1.00 0.00 C ATOM 0 H ALA A 101 53.176 10.400 6.260 1.00 0.00 H new ATOM 0 HA ALA A 101 50.672 10.049 7.802 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.635 9.374 5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.219 11.055 5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.152 9.765 4.811 1.00 0.00 H new ATOM 258 N PHE A 102 52.908 7.959 6.791 1.00 0.00 N ATOM 259 CA PHE A 102 53.370 6.579 6.878 1.00 0.00 C ATOM 260 C PHE A 102 53.960 6.272 8.252 1.00 0.00 C ATOM 261 O PHE A 102 54.326 7.176 9.003 1.00 0.00 O ATOM 262 CB PHE A 102 54.412 6.304 5.791 1.00 0.00 C ATOM 263 CG PHE A 102 53.862 5.556 4.611 1.00 0.00 C ATOM 264 CD1 PHE A 102 54.417 4.349 4.221 1.00 0.00 C ATOM 265 CD2 PHE A 102 52.789 6.060 3.895 1.00 0.00 C ATOM 266 CE1 PHE A 102 53.911 3.657 3.137 1.00 0.00 C ATOM 267 CE2 PHE A 102 52.279 5.374 2.809 1.00 0.00 C ATOM 268 CZ PHE A 102 52.841 4.170 2.430 1.00 0.00 C ATOM 0 H PHE A 102 53.618 8.622 6.481 1.00 0.00 H new ATOM 0 HA PHE A 102 52.508 5.929 6.728 1.00 0.00 H new ATOM 0 HB2 PHE A 102 54.828 7.252 5.449 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.234 5.733 6.223 1.00 0.00 H new ATOM 0 HD1 PHE A 102 55.254 3.944 4.770 1.00 0.00 H new ATOM 0 HD2 PHE A 102 52.346 7.000 4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 102 54.352 2.716 2.843 1.00 0.00 H new ATOM 0 HE2 PHE A 102 51.443 5.778 2.258 1.00 0.00 H new ATOM 0 HZ PHE A 102 52.444 3.631 1.582 1.00 0.00 H new ATOM 278 N PHE A 103 54.038 4.981 8.570 1.00 0.00 N ATOM 279 CA PHE A 103 54.573 4.521 9.853 1.00 0.00 C ATOM 280 C PHE A 103 55.856 5.269 10.214 1.00 0.00 C ATOM 281 O PHE A 103 56.900 5.064 9.600 1.00 0.00 O ATOM 282 CB PHE A 103 54.844 3.015 9.785 1.00 0.00 C ATOM 283 CG PHE A 103 55.020 2.349 11.124 1.00 0.00 C ATOM 284 CD1 PHE A 103 54.370 2.824 12.254 1.00 0.00 C ATOM 285 CD2 PHE A 103 55.836 1.235 11.245 1.00 0.00 C ATOM 286 CE1 PHE A 103 54.533 2.200 13.477 1.00 0.00 C ATOM 287 CE2 PHE A 103 56.002 0.608 12.465 1.00 0.00 C ATOM 288 CZ PHE A 103 55.350 1.091 13.582 1.00 0.00 C ATOM 0 H PHE A 103 53.735 4.228 7.952 1.00 0.00 H new ATOM 0 HA PHE A 103 53.835 4.725 10.629 1.00 0.00 H new ATOM 0 HB2 PHE A 103 54.019 2.534 9.260 1.00 0.00 H new ATOM 0 HB3 PHE A 103 55.741 2.847 9.190 1.00 0.00 H new ATOM 0 HD1 PHE A 103 53.730 3.690 12.177 1.00 0.00 H new ATOM 0 HD2 PHE A 103 56.348 0.852 10.375 1.00 0.00 H new ATOM 0 HE1 PHE A 103 54.022 2.579 14.350 1.00 0.00 H new ATOM 0 HE2 PHE A 103 56.641 -0.259 12.545 1.00 0.00 H new ATOM 0 HZ PHE A 103 55.479 0.602 14.537 1.00 0.00 H new ATOM 298 N SER A 104 55.760 6.148 11.207 1.00 0.00 N ATOM 299 CA SER A 104 56.904 6.944 11.646 1.00 0.00 C ATOM 300 C SER A 104 58.077 6.065 12.074 1.00 0.00 C ATOM 301 O SER A 104 59.229 6.359 11.754 1.00 0.00 O ATOM 302 CB SER A 104 56.496 7.861 12.800 1.00 0.00 C ATOM 303 OG SER A 104 57.555 8.731 13.160 1.00 0.00 O ATOM 0 H SER A 104 54.900 6.328 11.725 1.00 0.00 H new ATOM 0 HA SER A 104 57.229 7.546 10.797 1.00 0.00 H new ATOM 0 HB2 SER A 104 55.623 8.446 12.512 1.00 0.00 H new ATOM 0 HB3 SER A 104 56.207 7.259 13.662 1.00 0.00 H new ATOM 0 HG SER A 104 57.268 9.308 13.899 1.00 0.00 H new ATOM 309 N LYS A 105 57.782 4.997 12.808 1.00 0.00 N ATOM 310 CA LYS A 105 58.819 4.086 13.291 1.00 0.00 C ATOM 311 C LYS A 105 59.808 3.718 12.185 1.00 0.00 C ATOM 312 O LYS A 105 61.004 3.983 12.300 1.00 0.00 O ATOM 313 CB LYS A 105 58.184 2.818 13.864 1.00 0.00 C ATOM 314 CG LYS A 105 57.381 3.059 15.133 1.00 0.00 C ATOM 315 CD LYS A 105 58.287 3.284 16.334 1.00 0.00 C ATOM 316 CE LYS A 105 58.275 4.738 16.778 1.00 0.00 C ATOM 317 NZ LYS A 105 56.965 5.129 17.367 1.00 0.00 N ATOM 0 H LYS A 105 56.834 4.739 13.082 1.00 0.00 H new ATOM 0 HA LYS A 105 59.371 4.603 14.076 1.00 0.00 H new ATOM 0 HB2 LYS A 105 57.533 2.375 13.110 1.00 0.00 H new ATOM 0 HB3 LYS A 105 58.969 2.091 14.073 1.00 0.00 H new ATOM 0 HG2 LYS A 105 56.735 3.926 14.996 1.00 0.00 H new ATOM 0 HG3 LYS A 105 56.732 2.204 15.321 1.00 0.00 H new ATOM 0 HD2 LYS A 105 57.964 2.648 17.158 1.00 0.00 H new ATOM 0 HD3 LYS A 105 59.306 2.988 16.083 1.00 0.00 H new ATOM 0 HE2 LYS A 105 59.065 4.900 17.511 1.00 0.00 H new ATOM 0 HE3 LYS A 105 58.495 5.380 15.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 57.081 6.000 17.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 56.277 5.294 16.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 56.621 4.367 17.985 1.00 0.00 H new ATOM 331 N THR A 106 59.305 3.106 11.118 1.00 0.00 N ATOM 332 CA THR A 106 60.153 2.703 10.000 1.00 0.00 C ATOM 333 C THR A 106 60.011 3.670 8.828 1.00 0.00 C ATOM 334 O THR A 106 61.004 4.183 8.313 1.00 0.00 O ATOM 335 CB THR A 106 59.800 1.285 9.549 1.00 0.00 C ATOM 336 OG1 THR A 106 59.230 0.546 10.614 1.00 0.00 O ATOM 337 CG2 THR A 106 60.994 0.508 9.036 1.00 0.00 C ATOM 0 H THR A 106 58.317 2.878 11.003 1.00 0.00 H new ATOM 0 HA THR A 106 61.188 2.723 10.340 1.00 0.00 H new ATOM 0 HB THR A 106 59.089 1.409 8.732 1.00 0.00 H new ATOM 0 HG1 THR A 106 58.294 0.811 10.732 1.00 0.00 H new ATOM 0 HG21 THR A 106 60.676 -0.489 8.732 1.00 0.00 H new ATOM 0 HG22 THR A 106 61.426 1.027 8.181 1.00 0.00 H new ATOM 0 HG23 THR A 106 61.741 0.426 9.825 1.00 0.00 H new ATOM 345 N LYS A 107 58.766 3.908 8.415 1.00 0.00 N ATOM 346 CA LYS A 107 58.458 4.812 7.302 1.00 0.00 C ATOM 347 C LYS A 107 58.517 4.087 5.959 1.00 0.00 C ATOM 348 O LYS A 107 57.840 4.477 5.008 1.00 0.00 O ATOM 349 CB LYS A 107 59.403 6.020 7.290 1.00 0.00 C ATOM 350 CG LYS A 107 58.699 7.338 7.007 1.00 0.00 C ATOM 351 CD LYS A 107 57.818 7.766 8.173 1.00 0.00 C ATOM 352 CE LYS A 107 58.340 9.029 8.841 1.00 0.00 C ATOM 353 NZ LYS A 107 59.824 9.020 8.969 1.00 0.00 N ATOM 0 H LYS A 107 57.943 3.482 8.840 1.00 0.00 H new ATOM 0 HA LYS A 107 57.439 5.169 7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 107 59.907 6.086 8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 107 60.175 5.860 6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 107 59.441 8.112 6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 107 58.091 7.240 6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 107 56.802 7.936 7.817 1.00 0.00 H new ATOM 0 HD3 LYS A 107 57.769 6.961 8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 107 58.031 9.899 8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 107 57.891 9.128 9.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 60.108 9.633 9.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 60.151 8.049 9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 60.251 9.371 8.088 1.00 0.00 H new ATOM 367 N ARG A 108 59.322 3.032 5.882 1.00 0.00 N ATOM 368 CA ARG A 108 59.453 2.263 4.651 1.00 0.00 C ATOM 369 C ARG A 108 58.150 1.538 4.326 1.00 0.00 C ATOM 370 O ARG A 108 57.806 1.349 3.160 1.00 0.00 O ATOM 371 CB ARG A 108 60.598 1.255 4.772 1.00 0.00 C ATOM 372 CG ARG A 108 61.916 1.763 4.209 1.00 0.00 C ATOM 373 CD ARG A 108 63.053 1.595 5.204 1.00 0.00 C ATOM 374 NE ARG A 108 63.137 2.718 6.134 1.00 0.00 N ATOM 375 CZ ARG A 108 64.231 3.027 6.828 1.00 0.00 C ATOM 376 NH1 ARG A 108 65.332 2.295 6.707 1.00 0.00 N ATOM 377 NH2 ARG A 108 64.225 4.070 7.647 1.00 0.00 N ATOM 0 H ARG A 108 59.892 2.691 6.656 1.00 0.00 H new ATOM 0 HA ARG A 108 59.676 2.955 3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 108 60.736 0.998 5.822 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.320 0.338 4.253 1.00 0.00 H new ATOM 0 HG2 ARG A 108 62.152 1.224 3.292 1.00 0.00 H new ATOM 0 HG3 ARG A 108 61.817 2.816 3.943 1.00 0.00 H new ATOM 0 HD2 ARG A 108 62.911 0.671 5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 108 63.995 1.500 4.665 1.00 0.00 H new ATOM 0 HE ARG A 108 62.309 3.300 6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 108 65.343 1.491 6.080 1.00 0.00 H new ATOM 0 HH12 ARG A 108 66.167 2.537 7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 108 63.382 4.636 7.746 1.00 0.00 H new ATOM 0 HH22 ARG A 108 65.063 4.306 8.178 1.00 0.00 H new ATOM 391 N PHE A 109 57.429 1.139 5.369 1.00 0.00 N ATOM 392 CA PHE A 109 56.160 0.438 5.200 1.00 0.00 C ATOM 393 C PHE A 109 55.013 1.252 5.791 1.00 0.00 C ATOM 394 O PHE A 109 55.180 1.935 6.801 1.00 0.00 O ATOM 395 CB PHE A 109 56.223 -0.941 5.858 1.00 0.00 C ATOM 396 CG PHE A 109 57.465 -1.713 5.511 1.00 0.00 C ATOM 397 CD1 PHE A 109 57.502 -2.530 4.392 1.00 0.00 C ATOM 398 CD2 PHE A 109 58.596 -1.621 6.307 1.00 0.00 C ATOM 399 CE1 PHE A 109 58.643 -3.240 4.074 1.00 0.00 C ATOM 400 CE2 PHE A 109 59.741 -2.329 5.992 1.00 0.00 C ATOM 401 CZ PHE A 109 59.764 -3.140 4.874 1.00 0.00 C ATOM 0 H PHE A 109 57.701 1.289 6.340 1.00 0.00 H new ATOM 0 HA PHE A 109 55.978 0.310 4.133 1.00 0.00 H new ATOM 0 HB2 PHE A 109 56.169 -0.822 6.940 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.349 -1.519 5.557 1.00 0.00 H new ATOM 0 HD1 PHE A 109 56.629 -2.612 3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 109 58.583 -0.989 7.183 1.00 0.00 H new ATOM 0 HE1 PHE A 109 58.659 -3.874 3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 109 60.616 -2.248 6.619 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.657 -3.695 4.626 1.00 0.00 H new ATOM 411 N CYS A 110 53.854 1.186 5.144 1.00 0.00 N ATOM 412 CA CYS A 110 52.677 1.923 5.585 1.00 0.00 C ATOM 413 C CYS A 110 52.155 1.429 6.934 1.00 0.00 C ATOM 414 O CYS A 110 51.296 2.069 7.540 1.00 0.00 O ATOM 415 CB CYS A 110 51.575 1.806 4.531 1.00 0.00 C ATOM 416 SG CYS A 110 50.980 0.117 4.268 1.00 0.00 S ATOM 0 H CYS A 110 53.705 0.624 4.306 1.00 0.00 H new ATOM 0 HA CYS A 110 52.970 2.965 5.711 1.00 0.00 H new ATOM 0 HB2 CYS A 110 50.735 2.434 4.828 1.00 0.00 H new ATOM 0 HB3 CYS A 110 51.948 2.200 3.586 1.00 0.00 H new ATOM 0 HG CYS A 110 50.049 0.121 3.361 1.00 0.00 H new ATOM 421 N SER A 111 52.661 0.290 7.402 1.00 0.00 N ATOM 422 CA SER A 111 52.214 -0.262 8.678 1.00 0.00 C ATOM 423 C SER A 111 53.276 -1.154 9.307 1.00 0.00 C ATOM 424 O SER A 111 54.143 -1.688 8.616 1.00 0.00 O ATOM 425 CB SER A 111 50.928 -1.066 8.480 1.00 0.00 C ATOM 426 OG SER A 111 51.215 -2.398 8.083 1.00 0.00 O ATOM 0 H SER A 111 53.372 -0.263 6.923 1.00 0.00 H new ATOM 0 HA SER A 111 52.028 0.575 9.351 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.355 -1.075 9.407 1.00 0.00 H new ATOM 0 HB3 SER A 111 50.307 -0.584 7.725 1.00 0.00 H new ATOM 0 HG SER A 111 51.488 -2.407 7.142 1.00 0.00 H new ATOM 432 N VAL A 112 53.190 -1.324 10.623 1.00 0.00 N ATOM 433 CA VAL A 112 54.131 -2.168 11.343 1.00 0.00 C ATOM 434 C VAL A 112 53.971 -3.618 10.904 1.00 0.00 C ATOM 435 O VAL A 112 54.946 -4.367 10.817 1.00 0.00 O ATOM 436 CB VAL A 112 53.933 -2.068 12.869 1.00 0.00 C ATOM 437 CG1 VAL A 112 52.538 -2.529 13.262 1.00 0.00 C ATOM 438 CG2 VAL A 112 54.995 -2.874 13.602 1.00 0.00 C ATOM 0 H VAL A 112 52.478 -0.888 11.210 1.00 0.00 H new ATOM 0 HA VAL A 112 55.136 -1.818 11.107 1.00 0.00 H new ATOM 0 HB VAL A 112 54.039 -1.023 13.159 1.00 0.00 H new ATOM 0 HG11 VAL A 112 52.420 -2.450 14.343 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.795 -1.902 12.769 1.00 0.00 H new ATOM 0 HG13 VAL A 112 52.398 -3.566 12.956 1.00 0.00 H new ATOM 0 HG21 VAL A 112 54.838 -2.790 14.677 1.00 0.00 H new ATOM 0 HG22 VAL A 112 54.926 -3.921 13.306 1.00 0.00 H new ATOM 0 HG23 VAL A 112 55.983 -2.489 13.349 1.00 0.00 H new ATOM 448 N SER A 113 52.731 -4.002 10.607 1.00 0.00 N ATOM 449 CA SER A 113 52.441 -5.355 10.153 1.00 0.00 C ATOM 450 C SER A 113 53.221 -5.648 8.879 1.00 0.00 C ATOM 451 O SER A 113 53.783 -6.730 8.714 1.00 0.00 O ATOM 452 CB SER A 113 50.942 -5.531 9.906 1.00 0.00 C ATOM 453 OG SER A 113 50.461 -4.576 8.977 1.00 0.00 O ATOM 0 H SER A 113 51.914 -3.395 10.673 1.00 0.00 H new ATOM 0 HA SER A 113 52.745 -6.058 10.929 1.00 0.00 H new ATOM 0 HB2 SER A 113 50.748 -6.536 9.532 1.00 0.00 H new ATOM 0 HB3 SER A 113 50.401 -5.431 10.847 1.00 0.00 H new ATOM 0 HG SER A 113 51.013 -3.768 9.023 1.00 0.00 H new ATOM 459 N CYS A 114 53.265 -4.662 7.987 1.00 0.00 N ATOM 460 CA CYS A 114 53.995 -4.801 6.735 1.00 0.00 C ATOM 461 C CYS A 114 55.477 -5.051 7.008 1.00 0.00 C ATOM 462 O CYS A 114 56.192 -5.589 6.164 1.00 0.00 O ATOM 463 CB CYS A 114 53.828 -3.543 5.880 1.00 0.00 C ATOM 464 SG CYS A 114 52.221 -3.409 5.063 1.00 0.00 S ATOM 0 H CYS A 114 52.804 -3.760 8.110 1.00 0.00 H new ATOM 0 HA CYS A 114 53.588 -5.654 6.192 1.00 0.00 H new ATOM 0 HB2 CYS A 114 53.976 -2.666 6.511 1.00 0.00 H new ATOM 0 HB3 CYS A 114 54.611 -3.526 5.122 1.00 0.00 H new ATOM 0 HG CYS A 114 51.939 -2.156 4.863 1.00 0.00 H new ATOM 469 N SER A 115 55.929 -4.659 8.199 1.00 0.00 N ATOM 470 CA SER A 115 57.321 -4.843 8.590 1.00 0.00 C ATOM 471 C SER A 115 57.557 -6.262 9.094 1.00 0.00 C ATOM 472 O SER A 115 58.489 -6.943 8.655 1.00 0.00 O ATOM 473 CB SER A 115 57.707 -3.834 9.673 1.00 0.00 C ATOM 474 OG SER A 115 59.073 -3.471 9.569 1.00 0.00 O ATOM 0 H SER A 115 55.348 -4.212 8.909 1.00 0.00 H new ATOM 0 HA SER A 115 57.945 -4.678 7.712 1.00 0.00 H new ATOM 0 HB2 SER A 115 57.083 -2.944 9.584 1.00 0.00 H new ATOM 0 HB3 SER A 115 57.515 -4.261 10.657 1.00 0.00 H new ATOM 0 HG SER A 115 59.294 -2.824 10.271 1.00 0.00 H new ATOM 480 N ARG A 116 56.688 -6.724 9.991 1.00 0.00 N ATOM 481 CA ARG A 116 56.799 -8.077 10.517 1.00 0.00 C ATOM 482 C ARG A 116 56.430 -9.083 9.435 1.00 0.00 C ATOM 483 O ARG A 116 56.817 -10.250 9.497 1.00 0.00 O ATOM 484 CB ARG A 116 55.898 -8.260 11.741 1.00 0.00 C ATOM 485 CG ARG A 116 54.457 -7.841 11.507 1.00 0.00 C ATOM 486 CD ARG A 116 53.500 -8.627 12.387 1.00 0.00 C ATOM 487 NE ARG A 116 53.742 -8.389 13.808 1.00 0.00 N ATOM 488 CZ ARG A 116 52.884 -8.720 14.771 1.00 0.00 C ATOM 489 NH1 ARG A 116 51.730 -9.303 14.470 1.00 0.00 N ATOM 490 NH2 ARG A 116 53.181 -8.469 16.038 1.00 0.00 N ATOM 0 H ARG A 116 55.907 -6.185 10.364 1.00 0.00 H new ATOM 0 HA ARG A 116 57.830 -8.247 10.827 1.00 0.00 H new ATOM 0 HB2 ARG A 116 55.918 -9.307 12.042 1.00 0.00 H new ATOM 0 HB3 ARG A 116 56.305 -7.682 12.570 1.00 0.00 H new ATOM 0 HG2 ARG A 116 54.349 -6.776 11.711 1.00 0.00 H new ATOM 0 HG3 ARG A 116 54.198 -7.993 10.459 1.00 0.00 H new ATOM 0 HD2 ARG A 116 52.474 -8.352 12.143 1.00 0.00 H new ATOM 0 HD3 ARG A 116 53.603 -9.691 12.175 1.00 0.00 H new ATOM 0 HE ARG A 116 54.619 -7.944 14.078 1.00 0.00 H new ATOM 0 HH11 ARG A 116 51.497 -9.500 13.497 1.00 0.00 H new ATOM 0 HH12 ARG A 116 51.077 -9.554 15.212 1.00 0.00 H new ATOM 0 HH21 ARG A 116 54.067 -8.022 16.275 1.00 0.00 H new ATOM 0 HH22 ARG A 116 52.524 -8.722 16.776 1.00 0.00 H new ATOM 504 N SER A 117 55.698 -8.611 8.428 1.00 0.00 N ATOM 505 CA SER A 117 55.299 -9.454 7.314 1.00 0.00 C ATOM 506 C SER A 117 56.468 -9.606 6.352 1.00 0.00 C ATOM 507 O SER A 117 56.839 -10.717 5.979 1.00 0.00 O ATOM 508 CB SER A 117 54.094 -8.853 6.589 1.00 0.00 C ATOM 509 OG SER A 117 53.421 -9.833 5.819 1.00 0.00 O ATOM 0 H SER A 117 55.371 -7.647 8.365 1.00 0.00 H new ATOM 0 HA SER A 117 55.013 -10.434 7.695 1.00 0.00 H new ATOM 0 HB2 SER A 117 53.406 -8.422 7.316 1.00 0.00 H new ATOM 0 HB3 SER A 117 54.423 -8.040 5.941 1.00 0.00 H new ATOM 0 HG SER A 117 52.508 -9.531 5.632 1.00 0.00 H new ATOM 515 N TYR A 118 57.057 -8.476 5.966 1.00 0.00 N ATOM 516 CA TYR A 118 58.200 -8.473 5.063 1.00 0.00 C ATOM 517 C TYR A 118 59.394 -9.169 5.709 1.00 0.00 C ATOM 518 O TYR A 118 60.276 -9.680 5.021 1.00 0.00 O ATOM 519 CB TYR A 118 58.572 -7.031 4.710 1.00 0.00 C ATOM 520 CG TYR A 118 59.185 -6.872 3.340 1.00 0.00 C ATOM 521 CD1 TYR A 118 60.434 -7.403 3.051 1.00 0.00 C ATOM 522 CD2 TYR A 118 58.514 -6.185 2.337 1.00 0.00 C ATOM 523 CE1 TYR A 118 60.999 -7.253 1.798 1.00 0.00 C ATOM 524 CE2 TYR A 118 59.070 -6.031 1.084 1.00 0.00 C ATOM 525 CZ TYR A 118 60.313 -6.567 0.818 1.00 0.00 C ATOM 526 OH TYR A 118 60.872 -6.415 -0.430 1.00 0.00 O ATOM 0 H TYR A 118 56.758 -7.549 6.267 1.00 0.00 H new ATOM 0 HA TYR A 118 57.931 -9.013 4.155 1.00 0.00 H new ATOM 0 HB2 TYR A 118 57.678 -6.411 4.771 1.00 0.00 H new ATOM 0 HB3 TYR A 118 59.272 -6.654 5.456 1.00 0.00 H new ATOM 0 HD1 TYR A 118 60.973 -7.942 3.816 1.00 0.00 H new ATOM 0 HD2 TYR A 118 57.541 -5.764 2.541 1.00 0.00 H new ATOM 0 HE1 TYR A 118 61.972 -7.671 1.588 1.00 0.00 H new ATOM 0 HE2 TYR A 118 58.535 -5.494 0.315 1.00 0.00 H new ATOM 0 HH TYR A 118 60.259 -5.909 -1.003 1.00 0.00 H new ATOM 536 N SER A 119 59.406 -9.198 7.038 1.00 0.00 N ATOM 537 CA SER A 119 60.482 -9.846 7.774 1.00 0.00 C ATOM 538 C SER A 119 60.177 -11.327 7.989 1.00 0.00 C ATOM 539 O SER A 119 61.079 -12.164 7.998 1.00 0.00 O ATOM 540 CB SER A 119 60.694 -9.152 9.118 1.00 0.00 C ATOM 541 OG SER A 119 59.683 -9.513 10.044 1.00 0.00 O ATOM 0 H SER A 119 58.684 -8.781 7.625 1.00 0.00 H new ATOM 0 HA SER A 119 61.396 -9.766 7.185 1.00 0.00 H new ATOM 0 HB2 SER A 119 61.671 -9.420 9.519 1.00 0.00 H new ATOM 0 HB3 SER A 119 60.693 -8.071 8.977 1.00 0.00 H new ATOM 0 HG SER A 119 59.842 -9.057 10.897 1.00 0.00 H new ATOM 547 N SER A 120 58.897 -11.637 8.172 1.00 0.00 N ATOM 548 CA SER A 120 58.463 -13.013 8.400 1.00 0.00 C ATOM 549 C SER A 120 58.048 -13.706 7.101 1.00 0.00 C ATOM 550 O SER A 120 57.757 -14.902 7.100 1.00 0.00 O ATOM 551 CB SER A 120 57.300 -13.039 9.393 1.00 0.00 C ATOM 552 OG SER A 120 57.700 -12.552 10.662 1.00 0.00 O ATOM 0 H SER A 120 58.140 -10.953 8.167 1.00 0.00 H new ATOM 0 HA SER A 120 59.312 -13.559 8.812 1.00 0.00 H new ATOM 0 HB2 SER A 120 56.478 -12.434 9.011 1.00 0.00 H new ATOM 0 HB3 SER A 120 56.926 -14.058 9.493 1.00 0.00 H new ATOM 0 HG SER A 120 57.524 -11.589 10.713 1.00 0.00 H new ATOM 558 N ASN A 121 58.012 -12.959 5.999 1.00 0.00 N ATOM 559 CA ASN A 121 57.622 -13.529 4.712 1.00 0.00 C ATOM 560 C ASN A 121 58.525 -13.042 3.580 1.00 0.00 C ATOM 561 O ASN A 121 58.204 -13.217 2.404 1.00 0.00 O ATOM 562 CB ASN A 121 56.166 -13.177 4.399 1.00 0.00 C ATOM 563 CG ASN A 121 55.198 -13.783 5.396 1.00 0.00 C ATOM 564 OD1 ASN A 121 54.805 -14.943 5.271 1.00 0.00 O ATOM 565 ND2 ASN A 121 54.807 -12.998 6.393 1.00 0.00 N ATOM 0 H ASN A 121 58.246 -11.967 5.971 1.00 0.00 H new ATOM 0 HA ASN A 121 57.730 -14.611 4.786 1.00 0.00 H new ATOM 0 HB2 ASN A 121 56.050 -12.093 4.396 1.00 0.00 H new ATOM 0 HB3 ASN A 121 55.918 -13.527 3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 121 54.155 -13.350 7.094 1.00 0.00 H new ATOM 0 HD22 ASN A 121 55.158 -12.043 6.458 1.00 0.00 H new