USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 162 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 Single : A 268 HIS : no HD1:sc= -0.0893 K(o=-0.089,f=-0.63) USER MOD Single : A 269 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 GLN :FLIP amide:sc= -12.1! C(o=-19!,f=-12!) USER MOD Single : A 279 ASN : amide:sc= -0.542 K(o=-0.54,f=-2.5!) USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 285 SER OG : rot 180:sc= -1.07 USER MOD Single : A 286 ASN : amide:sc= -0.0251 X(o=-0.025,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 23 N HIS A 268 6.341 -5.225 -38.493 1.00 0.00 N ATOM 24 CA HIS A 268 7.586 -4.620 -38.036 1.00 0.00 C ATOM 25 C HIS A 268 7.449 -3.103 -37.964 1.00 0.00 C ATOM 26 O HIS A 268 6.640 -2.509 -38.676 1.00 0.00 O ATOM 27 CB HIS A 268 8.726 -4.985 -38.989 1.00 0.00 C ATOM 28 CG HIS A 268 8.404 -4.486 -40.371 1.00 0.00 C ATOM 29 ND1 HIS A 268 7.551 -5.169 -41.224 1.00 0.00 N ATOM 30 CD2 HIS A 268 8.812 -3.373 -41.063 1.00 0.00 C ATOM 31 CE1 HIS A 268 7.473 -4.467 -42.369 1.00 0.00 C ATOM 32 NE2 HIS A 268 8.224 -3.363 -42.324 1.00 0.00 N ATOM 0 HA HIS A 268 7.809 -5.002 -37.040 1.00 0.00 H new ATOM 0 HB2 HIS A 268 9.660 -4.545 -38.641 1.00 0.00 H new ATOM 0 HB3 HIS A 268 8.869 -6.065 -39.005 1.00 0.00 H new ATOM 0 HD2 HIS A 268 9.487 -2.619 -40.686 1.00 0.00 H new ATOM 0 HE1 HIS A 268 6.876 -4.760 -43.220 1.00 0.00 H new ATOM 0 HE2 HIS A 268 8.341 -2.663 -43.057 1.00 0.00 H new ATOM 41 N GLN A 269 8.245 -2.483 -37.099 1.00 0.00 N ATOM 42 CA GLN A 269 8.205 -1.034 -36.943 1.00 0.00 C ATOM 43 C GLN A 269 8.626 -0.348 -38.242 1.00 0.00 C ATOM 44 O GLN A 269 9.410 -0.899 -39.015 1.00 0.00 O ATOM 45 CB GLN A 269 9.143 -0.609 -35.810 1.00 0.00 C ATOM 46 CG GLN A 269 10.445 -1.407 -35.897 1.00 0.00 C ATOM 47 CD GLN A 269 11.485 -0.813 -34.954 1.00 0.00 C ATOM 48 OE1 GLN A 269 12.550 -0.381 -35.396 1.00 0.00 O ATOM 49 NE2 GLN A 269 11.239 -0.764 -33.673 1.00 0.00 N ATOM 0 H GLN A 269 8.921 -2.957 -36.500 1.00 0.00 H new ATOM 0 HA GLN A 269 7.185 -0.736 -36.701 1.00 0.00 H new ATOM 0 HB2 GLN A 269 9.353 0.458 -35.879 1.00 0.00 H new ATOM 0 HB3 GLN A 269 8.665 -0.778 -34.845 1.00 0.00 H new ATOM 0 HG2 GLN A 269 10.260 -2.449 -35.638 1.00 0.00 H new ATOM 0 HG3 GLN A 269 10.821 -1.395 -36.920 1.00 0.00 H new ATOM 0 HE21 GLN A 269 10.356 -1.122 -33.309 1.00 0.00 H new ATOM 0 HE22 GLN A 269 11.930 -0.367 -33.036 1.00 0.00 H new ATOM 58 N PRO A 270 8.130 0.837 -38.492 1.00 0.00 N ATOM 59 CA PRO A 270 8.485 1.593 -39.733 1.00 0.00 C ATOM 60 C PRO A 270 9.994 1.790 -39.868 1.00 0.00 C ATOM 61 O PRO A 270 10.709 1.880 -38.869 1.00 0.00 O ATOM 62 CB PRO A 270 7.768 2.946 -39.567 1.00 0.00 C ATOM 63 CG PRO A 270 7.462 3.048 -38.113 1.00 0.00 C ATOM 64 CD PRO A 270 7.223 1.620 -37.642 1.00 0.00 C ATOM 0 HA PRO A 270 8.183 1.060 -40.634 1.00 0.00 H new ATOM 0 HB2 PRO A 270 8.401 3.770 -39.895 1.00 0.00 H new ATOM 0 HB3 PRO A 270 6.858 2.986 -40.165 1.00 0.00 H new ATOM 0 HG2 PRO A 270 8.289 3.506 -37.570 1.00 0.00 H new ATOM 0 HG3 PRO A 270 6.583 3.670 -37.940 1.00 0.00 H new ATOM 0 HD2 PRO A 270 7.456 1.499 -36.584 1.00 0.00 H new ATOM 0 HD3 PRO A 270 6.184 1.319 -37.776 1.00 0.00 H new ATOM 72 N GLY A 271 10.467 1.865 -41.105 1.00 0.00 N ATOM 73 CA GLY A 271 11.889 2.064 -41.356 1.00 0.00 C ATOM 74 C GLY A 271 12.234 3.545 -41.276 1.00 0.00 C ATOM 75 O GLY A 271 11.396 4.361 -40.891 1.00 0.00 O ATOM 0 H GLY A 271 9.892 1.792 -41.945 1.00 0.00 H new ATOM 0 HA2 GLY A 271 12.476 1.506 -40.626 1.00 0.00 H new ATOM 0 HA3 GLY A 271 12.150 1.675 -42.340 1.00 0.00 H new ATOM 79 N GLY A 272 13.461 3.896 -41.642 1.00 0.00 N ATOM 80 CA GLY A 272 13.872 5.292 -41.598 1.00 0.00 C ATOM 81 C GLY A 272 12.853 6.157 -42.326 1.00 0.00 C ATOM 82 O GLY A 272 12.549 7.271 -41.900 1.00 0.00 O ATOM 0 H GLY A 272 14.177 3.246 -41.967 1.00 0.00 H new ATOM 0 HA2 GLY A 272 13.966 5.620 -40.563 1.00 0.00 H new ATOM 0 HA3 GLY A 272 14.853 5.406 -42.059 1.00 0.00 H new ATOM 86 N GLY A 273 12.310 5.622 -43.415 1.00 0.00 N ATOM 87 CA GLY A 273 11.302 6.339 -44.186 1.00 0.00 C ATOM 88 C GLY A 273 9.917 6.032 -43.632 1.00 0.00 C ATOM 89 O GLY A 273 9.781 5.243 -42.698 1.00 0.00 O ATOM 0 H GLY A 273 12.549 4.701 -43.781 1.00 0.00 H new ATOM 0 HA2 GLY A 273 11.492 7.411 -44.143 1.00 0.00 H new ATOM 0 HA3 GLY A 273 11.357 6.048 -45.235 1.00 0.00 H new ATOM 93 N LYS A 274 8.887 6.650 -44.204 1.00 0.00 N ATOM 94 CA LYS A 274 7.522 6.416 -43.736 1.00 0.00 C ATOM 95 C LYS A 274 6.688 5.722 -44.811 1.00 0.00 C ATOM 96 O LYS A 274 6.522 6.234 -45.918 1.00 0.00 O ATOM 97 CB LYS A 274 6.868 7.746 -43.346 1.00 0.00 C ATOM 98 CG LYS A 274 6.591 8.580 -44.598 1.00 0.00 C ATOM 99 CD LYS A 274 6.319 10.031 -44.194 1.00 0.00 C ATOM 100 CE LYS A 274 5.024 10.102 -43.382 1.00 0.00 C ATOM 101 NZ LYS A 274 4.532 11.508 -43.355 1.00 0.00 N ATOM 0 H LYS A 274 8.967 7.307 -44.980 1.00 0.00 H new ATOM 0 HA LYS A 274 7.566 5.765 -42.863 1.00 0.00 H new ATOM 0 HB2 LYS A 274 5.937 7.560 -42.810 1.00 0.00 H new ATOM 0 HB3 LYS A 274 7.521 8.297 -42.669 1.00 0.00 H new ATOM 0 HG2 LYS A 274 7.444 8.533 -45.275 1.00 0.00 H new ATOM 0 HG3 LYS A 274 5.734 8.174 -45.136 1.00 0.00 H new ATOM 0 HD2 LYS A 274 7.151 10.418 -43.606 1.00 0.00 H new ATOM 0 HD3 LYS A 274 6.238 10.658 -45.082 1.00 0.00 H new ATOM 0 HE2 LYS A 274 4.270 9.450 -43.822 1.00 0.00 H new ATOM 0 HE3 LYS A 274 5.199 9.747 -42.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 3.652 11.557 -42.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 5.250 12.119 -42.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 4.350 11.831 -44.327 1.00 0.00 H new ATOM 115 N VAL A 275 6.157 4.553 -44.466 1.00 0.00 N ATOM 116 CA VAL A 275 5.321 3.790 -45.390 1.00 0.00 C ATOM 117 C VAL A 275 4.057 3.346 -44.667 1.00 0.00 C ATOM 118 O VAL A 275 3.088 2.898 -45.281 1.00 0.00 O ATOM 119 CB VAL A 275 6.082 2.568 -45.904 1.00 0.00 C ATOM 120 CG1 VAL A 275 6.492 1.685 -44.723 1.00 0.00 C ATOM 121 CG2 VAL A 275 5.182 1.767 -46.847 1.00 0.00 C ATOM 0 H VAL A 275 6.290 4.113 -43.555 1.00 0.00 H new ATOM 0 HA VAL A 275 5.056 4.418 -46.241 1.00 0.00 H new ATOM 0 HB VAL A 275 6.973 2.896 -46.439 1.00 0.00 H new ATOM 0 HG11 VAL A 275 7.034 0.814 -45.091 1.00 0.00 H new ATOM 0 HG12 VAL A 275 7.133 2.253 -44.049 1.00 0.00 H new ATOM 0 HG13 VAL A 275 5.601 1.358 -44.187 1.00 0.00 H new ATOM 0 HG21 VAL A 275 5.724 0.895 -47.214 1.00 0.00 H new ATOM 0 HG22 VAL A 275 4.291 1.441 -46.310 1.00 0.00 H new ATOM 0 HG23 VAL A 275 4.889 2.393 -47.690 1.00 0.00 H new ATOM 131 N GLN A 276 4.097 3.480 -43.350 1.00 0.00 N ATOM 132 CA GLN A 276 2.983 3.106 -42.493 1.00 0.00 C ATOM 133 C GLN A 276 2.803 4.151 -41.400 1.00 0.00 C ATOM 134 O GLN A 276 3.594 5.088 -41.296 1.00 0.00 O ATOM 135 CB GLN A 276 3.248 1.744 -41.857 1.00 0.00 C ATOM 136 CG GLN A 276 4.582 1.784 -41.114 1.00 0.00 C ATOM 137 CD GLN A 276 4.396 2.435 -39.750 1.00 0.00 C ATOM 138 OE1 GLN A 276 4.716 3.690 -39.589 1.00 0.00 O flip ATOM 139 NE2 GLN A 276 3.942 1.786 -38.808 1.00 0.00 N flip ATOM 0 H GLN A 276 4.902 3.851 -42.846 1.00 0.00 H new ATOM 0 HA GLN A 276 2.076 3.050 -43.095 1.00 0.00 H new ATOM 0 HB2 GLN A 276 2.443 1.489 -41.168 1.00 0.00 H new ATOM 0 HB3 GLN A 276 3.269 0.970 -42.624 1.00 0.00 H new ATOM 0 HG2 GLN A 276 4.972 0.773 -40.994 1.00 0.00 H new ATOM 0 HG3 GLN A 276 5.316 2.342 -41.696 1.00 0.00 H new ATOM 0 HE21 GLN A 276 3.693 0.805 -38.937 1.00 0.00 H new ATOM 0 HE22 GLN A 276 3.815 2.229 -37.898 1.00 0.00 H new ATOM 148 N ILE A 277 1.773 3.988 -40.581 1.00 0.00 N ATOM 149 CA ILE A 277 1.536 4.936 -39.503 1.00 0.00 C ATOM 150 C ILE A 277 2.649 4.825 -38.472 1.00 0.00 C ATOM 151 O ILE A 277 2.986 3.728 -38.025 1.00 0.00 O ATOM 152 CB ILE A 277 0.201 4.649 -38.824 1.00 0.00 C ATOM 153 CG1 ILE A 277 -0.922 4.632 -39.865 1.00 0.00 C ATOM 154 CG2 ILE A 277 -0.075 5.735 -37.787 1.00 0.00 C ATOM 155 CD1 ILE A 277 -0.867 5.906 -40.713 1.00 0.00 C ATOM 0 H ILE A 277 1.100 3.224 -40.640 1.00 0.00 H new ATOM 0 HA ILE A 277 1.515 5.941 -39.924 1.00 0.00 H new ATOM 0 HB ILE A 277 0.243 3.676 -38.336 1.00 0.00 H new ATOM 0 HG12 ILE A 277 -0.824 3.755 -40.504 1.00 0.00 H new ATOM 0 HG13 ILE A 277 -1.889 4.557 -39.368 1.00 0.00 H new ATOM 0 HG21 ILE A 277 -1.028 5.536 -37.297 1.00 0.00 H new ATOM 0 HG22 ILE A 277 0.722 5.738 -37.043 1.00 0.00 H new ATOM 0 HG23 ILE A 277 -0.116 6.707 -38.280 1.00 0.00 H new ATOM 0 HD11 ILE A 277 -1.669 5.887 -41.451 1.00 0.00 H new ATOM 0 HD12 ILE A 277 -0.988 6.777 -40.069 1.00 0.00 H new ATOM 0 HD13 ILE A 277 0.095 5.962 -41.223 1.00 0.00 H new ATOM 167 N ILE A 278 3.220 5.962 -38.101 1.00 0.00 N ATOM 168 CA ILE A 278 4.304 5.969 -37.132 1.00 0.00 C ATOM 169 C ILE A 278 3.791 5.627 -35.741 1.00 0.00 C ATOM 170 O ILE A 278 3.367 6.498 -34.983 1.00 0.00 O ATOM 171 CB ILE A 278 4.967 7.347 -37.121 1.00 0.00 C ATOM 172 CG1 ILE A 278 5.420 7.701 -38.544 1.00 0.00 C ATOM 173 CG2 ILE A 278 6.176 7.329 -36.182 1.00 0.00 C ATOM 174 CD1 ILE A 278 6.332 6.602 -39.099 1.00 0.00 C ATOM 0 H ILE A 278 2.954 6.882 -38.452 1.00 0.00 H new ATOM 0 HA ILE A 278 5.035 5.213 -37.419 1.00 0.00 H new ATOM 0 HB ILE A 278 4.254 8.093 -36.770 1.00 0.00 H new ATOM 0 HG12 ILE A 278 4.551 7.823 -39.190 1.00 0.00 H new ATOM 0 HG13 ILE A 278 5.949 8.654 -38.538 1.00 0.00 H new ATOM 0 HG21 ILE A 278 6.647 8.312 -36.176 1.00 0.00 H new ATOM 0 HG22 ILE A 278 5.849 7.077 -35.173 1.00 0.00 H new ATOM 0 HG23 ILE A 278 6.894 6.585 -36.527 1.00 0.00 H new ATOM 0 HD11 ILE A 278 6.646 6.865 -40.109 1.00 0.00 H new ATOM 0 HD12 ILE A 278 7.210 6.501 -38.461 1.00 0.00 H new ATOM 0 HD13 ILE A 278 5.790 5.657 -39.123 1.00 0.00 H new ATOM 186 N ASN A 279 3.850 4.340 -35.417 1.00 0.00 N ATOM 187 CA ASN A 279 3.412 3.849 -34.115 1.00 0.00 C ATOM 188 C ASN A 279 4.509 2.993 -33.493 1.00 0.00 C ATOM 189 O ASN A 279 4.238 1.952 -32.894 1.00 0.00 O ATOM 190 CB ASN A 279 2.135 3.025 -34.270 1.00 0.00 C ATOM 191 CG ASN A 279 0.989 3.923 -34.721 1.00 0.00 C ATOM 192 OD1 ASN A 279 1.098 5.148 -34.663 1.00 0.00 O ATOM 193 ND2 ASN A 279 -0.112 3.384 -35.167 1.00 0.00 N ATOM 0 H ASN A 279 4.199 3.614 -36.042 1.00 0.00 H new ATOM 0 HA ASN A 279 3.207 4.699 -33.464 1.00 0.00 H new ATOM 0 HB2 ASN A 279 2.292 2.228 -34.997 1.00 0.00 H new ATOM 0 HB3 ASN A 279 1.883 2.547 -33.323 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -0.885 3.978 -35.469 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -0.200 2.369 -35.214 1.00 0.00 H new ATOM 200 N LYS A 280 5.750 3.435 -33.659 1.00 0.00 N ATOM 201 CA LYS A 280 6.898 2.704 -33.130 1.00 0.00 C ATOM 202 C LYS A 280 6.695 2.374 -31.659 1.00 0.00 C ATOM 203 O LYS A 280 7.062 1.295 -31.196 1.00 0.00 O ATOM 204 CB LYS A 280 8.148 3.570 -33.265 1.00 0.00 C ATOM 205 CG LYS A 280 8.367 3.942 -34.732 1.00 0.00 C ATOM 206 CD LYS A 280 9.579 4.867 -34.844 1.00 0.00 C ATOM 207 CE LYS A 280 9.322 6.145 -34.038 1.00 0.00 C ATOM 208 NZ LYS A 280 10.048 7.285 -34.667 1.00 0.00 N ATOM 0 H LYS A 280 5.988 4.294 -34.155 1.00 0.00 H new ATOM 0 HA LYS A 280 7.008 1.777 -33.693 1.00 0.00 H new ATOM 0 HB2 LYS A 280 8.042 4.473 -32.664 1.00 0.00 H new ATOM 0 HB3 LYS A 280 9.016 3.033 -32.883 1.00 0.00 H new ATOM 0 HG2 LYS A 280 8.525 3.043 -35.327 1.00 0.00 H new ATOM 0 HG3 LYS A 280 7.480 4.436 -35.130 1.00 0.00 H new ATOM 0 HD2 LYS A 280 10.471 4.363 -34.472 1.00 0.00 H new ATOM 0 HD3 LYS A 280 9.766 5.115 -35.889 1.00 0.00 H new ATOM 0 HE2 LYS A 280 8.253 6.356 -34.002 1.00 0.00 H new ATOM 0 HE3 LYS A 280 9.655 6.012 -33.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 9.873 8.152 -34.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 11.068 7.083 -34.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 9.710 7.417 -35.642 1.00 0.00 H new ATOM 222 N LYS A 281 6.121 3.317 -30.928 1.00 0.00 N ATOM 223 CA LYS A 281 5.883 3.128 -29.504 1.00 0.00 C ATOM 224 C LYS A 281 4.983 1.922 -29.254 1.00 0.00 C ATOM 225 O LYS A 281 5.166 1.190 -28.282 1.00 0.00 O ATOM 226 CB LYS A 281 5.221 4.382 -28.926 1.00 0.00 C ATOM 227 CG LYS A 281 6.134 5.608 -29.135 1.00 0.00 C ATOM 228 CD LYS A 281 5.613 6.465 -30.302 1.00 0.00 C ATOM 229 CE LYS A 281 4.216 7.022 -29.976 1.00 0.00 C ATOM 230 NZ LYS A 281 4.234 8.506 -30.112 1.00 0.00 N ATOM 0 H LYS A 281 5.812 4.217 -31.294 1.00 0.00 H new ATOM 0 HA LYS A 281 6.842 2.951 -29.017 1.00 0.00 H new ATOM 0 HB2 LYS A 281 4.258 4.550 -29.408 1.00 0.00 H new ATOM 0 HB3 LYS A 281 5.025 4.242 -27.863 1.00 0.00 H new ATOM 0 HG2 LYS A 281 6.169 6.204 -28.223 1.00 0.00 H new ATOM 0 HG3 LYS A 281 7.153 5.281 -29.341 1.00 0.00 H new ATOM 0 HD2 LYS A 281 6.303 7.286 -30.495 1.00 0.00 H new ATOM 0 HD3 LYS A 281 5.569 5.865 -31.211 1.00 0.00 H new ATOM 0 HE2 LYS A 281 3.474 6.592 -30.649 1.00 0.00 H new ATOM 0 HE3 LYS A 281 3.927 6.742 -28.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 3.291 8.886 -29.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 4.931 8.907 -29.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 4.492 8.762 -31.086 1.00 0.00 H new ATOM 244 N LEU A 282 3.998 1.735 -30.126 1.00 0.00 N ATOM 245 CA LEU A 282 3.059 0.624 -29.977 1.00 0.00 C ATOM 246 C LEU A 282 3.698 -0.722 -30.321 1.00 0.00 C ATOM 247 O LEU A 282 3.363 -1.742 -29.720 1.00 0.00 O ATOM 248 CB LEU A 282 1.836 0.843 -30.872 1.00 0.00 C ATOM 249 CG LEU A 282 1.197 2.202 -30.565 1.00 0.00 C ATOM 250 CD1 LEU A 282 -0.101 2.351 -31.367 1.00 0.00 C ATOM 251 CD2 LEU A 282 0.884 2.300 -29.069 1.00 0.00 C ATOM 0 H LEU A 282 3.828 2.331 -30.936 1.00 0.00 H new ATOM 0 HA LEU A 282 2.759 0.598 -28.930 1.00 0.00 H new ATOM 0 HB2 LEU A 282 2.130 0.799 -31.921 1.00 0.00 H new ATOM 0 HB3 LEU A 282 1.110 0.046 -30.711 1.00 0.00 H new ATOM 0 HG LEU A 282 1.891 2.996 -30.842 1.00 0.00 H new ATOM 0 HD11 LEU A 282 -0.555 3.318 -31.148 1.00 0.00 H new ATOM 0 HD12 LEU A 282 0.120 2.287 -32.432 1.00 0.00 H new ATOM 0 HD13 LEU A 282 -0.792 1.555 -31.091 1.00 0.00 H new ATOM 0 HD21 LEU A 282 0.430 3.268 -28.855 1.00 0.00 H new ATOM 0 HD22 LEU A 282 0.193 1.505 -28.789 1.00 0.00 H new ATOM 0 HD23 LEU A 282 1.806 2.197 -28.497 1.00 0.00 H new ATOM 263 N ASP A 283 4.596 -0.732 -31.306 1.00 0.00 N ATOM 264 CA ASP A 283 5.240 -1.980 -31.726 1.00 0.00 C ATOM 265 C ASP A 283 6.733 -1.989 -31.405 1.00 0.00 C ATOM 266 O ASP A 283 7.309 -0.973 -31.020 1.00 0.00 O ATOM 267 CB ASP A 283 5.043 -2.182 -33.231 1.00 0.00 C ATOM 268 CG ASP A 283 5.773 -1.092 -34.007 1.00 0.00 C ATOM 269 OD1 ASP A 283 6.617 -0.437 -33.420 1.00 0.00 O ATOM 270 OD2 ASP A 283 5.479 -0.930 -35.180 1.00 0.00 O ATOM 0 H ASP A 283 4.892 0.096 -31.823 1.00 0.00 H new ATOM 0 HA ASP A 283 4.773 -2.794 -31.172 1.00 0.00 H new ATOM 0 HB2 ASP A 283 5.418 -3.162 -33.526 1.00 0.00 H new ATOM 0 HB3 ASP A 283 3.980 -2.161 -33.472 1.00 0.00 H new ATOM 275 N LEU A 284 7.347 -3.156 -31.580 1.00 0.00 N ATOM 276 CA LEU A 284 8.772 -3.321 -31.326 1.00 0.00 C ATOM 277 C LEU A 284 9.309 -4.452 -32.182 1.00 0.00 C ATOM 278 O LEU A 284 9.732 -5.481 -31.662 1.00 0.00 O ATOM 279 CB LEU A 284 9.014 -3.667 -29.861 1.00 0.00 C ATOM 280 CG LEU A 284 10.502 -3.513 -29.533 1.00 0.00 C ATOM 281 CD1 LEU A 284 10.872 -2.029 -29.440 1.00 0.00 C ATOM 282 CD2 LEU A 284 10.798 -4.200 -28.197 1.00 0.00 C ATOM 0 H LEU A 284 6.876 -4.003 -31.898 1.00 0.00 H new ATOM 0 HA LEU A 284 9.278 -2.386 -31.568 1.00 0.00 H new ATOM 0 HB2 LEU A 284 8.421 -3.014 -29.220 1.00 0.00 H new ATOM 0 HB3 LEU A 284 8.691 -4.689 -29.661 1.00 0.00 H new ATOM 0 HG LEU A 284 11.093 -3.974 -30.324 1.00 0.00 H new ATOM 0 HD11 LEU A 284 11.932 -1.932 -29.206 1.00 0.00 H new ATOM 0 HD12 LEU A 284 10.664 -1.542 -30.393 1.00 0.00 H new ATOM 0 HD13 LEU A 284 10.283 -1.556 -28.655 1.00 0.00 H new ATOM 0 HD21 LEU A 284 11.856 -4.093 -27.959 1.00 0.00 H new ATOM 0 HD22 LEU A 284 10.201 -3.738 -27.410 1.00 0.00 H new ATOM 0 HD23 LEU A 284 10.548 -5.258 -28.269 1.00 0.00 H new ATOM 294 N SER A 285 9.280 -4.265 -33.492 1.00 0.00 N ATOM 295 CA SER A 285 9.759 -5.298 -34.394 1.00 0.00 C ATOM 296 C SER A 285 9.245 -6.665 -33.942 1.00 0.00 C ATOM 297 O SER A 285 8.432 -6.767 -33.024 1.00 0.00 O ATOM 298 CB SER A 285 11.293 -5.289 -34.430 1.00 0.00 C ATOM 299 OG SER A 285 11.783 -4.621 -33.275 1.00 0.00 O ATOM 0 H SER A 285 8.935 -3.421 -33.949 1.00 0.00 H new ATOM 0 HA SER A 285 9.384 -5.099 -35.398 1.00 0.00 H new ATOM 0 HB2 SER A 285 11.674 -6.310 -34.464 1.00 0.00 H new ATOM 0 HB3 SER A 285 11.645 -4.788 -35.332 1.00 0.00 H new ATOM 0 HG SER A 285 12.763 -4.614 -33.292 1.00 0.00 H new ATOM 305 N ASN A 286 9.720 -7.707 -34.601 1.00 0.00 N ATOM 306 CA ASN A 286 9.313 -9.070 -34.277 1.00 0.00 C ATOM 307 C ASN A 286 9.855 -9.502 -32.916 1.00 0.00 C ATOM 308 O ASN A 286 9.396 -10.489 -32.341 1.00 0.00 O ATOM 309 CB ASN A 286 9.814 -10.031 -35.356 1.00 0.00 C ATOM 310 CG ASN A 286 9.098 -11.373 -35.235 1.00 0.00 C ATOM 311 OD1 ASN A 286 7.873 -11.435 -35.339 1.00 0.00 O ATOM 312 ND2 ASN A 286 9.793 -12.457 -35.020 1.00 0.00 N ATOM 0 H ASN A 286 10.390 -7.639 -35.367 1.00 0.00 H new ATOM 0 HA ASN A 286 8.224 -9.096 -34.236 1.00 0.00 H new ATOM 0 HB2 ASN A 286 9.639 -9.604 -36.344 1.00 0.00 H new ATOM 0 HB3 ASN A 286 10.890 -10.174 -35.256 1.00 0.00 H new ATOM 0 HD21 ASN A 286 9.321 -13.358 -34.938 1.00 0.00 H new ATOM 0 HD22 ASN A 286 10.808 -12.403 -34.934 1.00 0.00 H new ATOM 319 N VAL A 287 10.848 -8.773 -32.417 1.00 0.00 N ATOM 320 CA VAL A 287 11.461 -9.109 -31.133 1.00 0.00 C ATOM 321 C VAL A 287 10.431 -9.145 -30.008 1.00 0.00 C ATOM 322 O VAL A 287 10.725 -9.616 -28.909 1.00 0.00 O ATOM 323 CB VAL A 287 12.568 -8.107 -30.794 1.00 0.00 C ATOM 324 CG1 VAL A 287 13.662 -8.180 -31.861 1.00 0.00 C ATOM 325 CG2 VAL A 287 11.991 -6.691 -30.762 1.00 0.00 C ATOM 0 H VAL A 287 11.244 -7.953 -32.876 1.00 0.00 H new ATOM 0 HA VAL A 287 11.891 -10.106 -31.226 1.00 0.00 H new ATOM 0 HB VAL A 287 12.987 -8.350 -29.818 1.00 0.00 H new ATOM 0 HG11 VAL A 287 14.451 -7.467 -31.622 1.00 0.00 H new ATOM 0 HG12 VAL A 287 14.078 -9.187 -31.887 1.00 0.00 H new ATOM 0 HG13 VAL A 287 13.237 -7.937 -32.835 1.00 0.00 H new ATOM 0 HG21 VAL A 287 12.782 -5.981 -30.520 1.00 0.00 H new ATOM 0 HG22 VAL A 287 11.570 -6.447 -31.738 1.00 0.00 H new ATOM 0 HG23 VAL A 287 11.209 -6.634 -30.005 1.00 0.00 H new