USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=4 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 Set 1.1: A 269 GLN : amide:sc= -2.63! K(o=-3.9!,f=1.8) USER MOD Set 1.2: A 280 LYS NZ :NH3+ -105:sc= -1.28 (180deg=0) USER MOD Single : A 268 HIS : no HD1:sc= -0.203 K(o=-0.2,f=-0.75) USER MOD Single : A 274 LYS NZ :NH3+ -169:sc= -0.43 (180deg=-0.901) USER MOD Single : A 276 GLN : amide:sc= -17.6! C(o=-18!,f=-13!) USER MOD Single : A 279 ASN : amide:sc= -3.3! C(o=-3.3!,f=-6.8!) USER MOD Single : A 281 LYS NZ :NH3+ -140:sc= -0.801 (180deg=-3.25!) USER MOD Single : A 285 SER OG : rot 180:sc= -1.03! USER MOD Single : A 286 ASN : amide:sc= -0.703 K(o=-0.7,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 23 N HIS A 268 14.827 12.986 -22.276 1.00 0.00 N ATOM 24 CA HIS A 268 15.671 12.729 -23.441 1.00 0.00 C ATOM 25 C HIS A 268 16.963 12.036 -23.023 1.00 0.00 C ATOM 26 O HIS A 268 17.453 12.230 -21.911 1.00 0.00 O ATOM 27 CB HIS A 268 16.004 14.048 -24.141 1.00 0.00 C ATOM 28 CG HIS A 268 16.843 14.900 -23.229 1.00 0.00 C ATOM 29 ND1 HIS A 268 16.314 15.530 -22.113 1.00 0.00 N ATOM 30 CD2 HIS A 268 18.174 15.237 -23.254 1.00 0.00 C ATOM 31 CE1 HIS A 268 17.314 16.206 -21.517 1.00 0.00 C ATOM 32 NE2 HIS A 268 18.469 16.061 -22.174 1.00 0.00 N ATOM 0 HA HIS A 268 15.127 12.078 -24.126 1.00 0.00 H new ATOM 0 HB2 HIS A 268 16.540 13.854 -25.070 1.00 0.00 H new ATOM 0 HB3 HIS A 268 15.087 14.574 -24.406 1.00 0.00 H new ATOM 0 HD2 HIS A 268 18.884 14.911 -24.000 1.00 0.00 H new ATOM 0 HE1 HIS A 268 17.197 16.793 -20.618 1.00 0.00 H new ATOM 0 HE2 HIS A 268 19.373 16.468 -21.934 1.00 0.00 H new ATOM 41 N GLN A 269 17.509 11.227 -23.925 1.00 0.00 N ATOM 42 CA GLN A 269 18.746 10.509 -23.645 1.00 0.00 C ATOM 43 C GLN A 269 19.952 11.430 -23.844 1.00 0.00 C ATOM 44 O GLN A 269 19.951 12.284 -24.730 1.00 0.00 O ATOM 45 CB GLN A 269 18.851 9.287 -24.567 1.00 0.00 C ATOM 46 CG GLN A 269 18.066 9.551 -25.853 1.00 0.00 C ATOM 47 CD GLN A 269 18.403 8.492 -26.897 1.00 0.00 C ATOM 48 OE1 GLN A 269 17.923 8.559 -28.029 1.00 0.00 O ATOM 49 NE2 GLN A 269 19.207 7.513 -26.585 1.00 0.00 N ATOM 0 H GLN A 269 17.117 11.053 -24.850 1.00 0.00 H new ATOM 0 HA GLN A 269 18.737 10.174 -22.608 1.00 0.00 H new ATOM 0 HB2 GLN A 269 19.896 9.083 -24.801 1.00 0.00 H new ATOM 0 HB3 GLN A 269 18.459 8.403 -24.064 1.00 0.00 H new ATOM 0 HG2 GLN A 269 16.996 9.540 -25.644 1.00 0.00 H new ATOM 0 HG3 GLN A 269 18.306 10.542 -26.238 1.00 0.00 H new ATOM 0 HE21 GLN A 269 19.604 7.458 -25.647 1.00 0.00 H new ATOM 0 HE22 GLN A 269 19.438 6.802 -27.279 1.00 0.00 H new ATOM 58 N PRO A 270 20.969 11.275 -23.036 1.00 0.00 N ATOM 59 CA PRO A 270 22.201 12.120 -23.128 1.00 0.00 C ATOM 60 C PRO A 270 22.849 12.044 -24.505 1.00 0.00 C ATOM 61 O PRO A 270 23.737 12.835 -24.825 1.00 0.00 O ATOM 62 CB PRO A 270 23.120 11.516 -22.071 1.00 0.00 C ATOM 63 CG PRO A 270 22.743 10.078 -22.056 1.00 0.00 C ATOM 64 CD PRO A 270 21.230 10.051 -22.255 1.00 0.00 C ATOM 0 HA PRO A 270 21.987 13.177 -22.972 1.00 0.00 H new ATOM 0 HB2 PRO A 270 24.170 11.652 -22.329 1.00 0.00 H new ATOM 0 HB3 PRO A 270 22.968 11.980 -21.096 1.00 0.00 H new ATOM 0 HG2 PRO A 270 23.253 9.530 -22.849 1.00 0.00 H new ATOM 0 HG3 PRO A 270 23.023 9.609 -21.113 1.00 0.00 H new ATOM 0 HD2 PRO A 270 20.910 9.157 -22.790 1.00 0.00 H new ATOM 0 HD3 PRO A 270 20.699 10.060 -21.303 1.00 0.00 H new ATOM 72 N GLY A 271 22.404 11.086 -25.314 1.00 0.00 N ATOM 73 CA GLY A 271 22.956 10.920 -26.654 1.00 0.00 C ATOM 74 C GLY A 271 23.257 12.279 -27.267 1.00 0.00 C ATOM 75 O GLY A 271 24.123 12.409 -28.131 1.00 0.00 O ATOM 0 H GLY A 271 21.671 10.420 -25.068 1.00 0.00 H new ATOM 0 HA2 GLY A 271 23.867 10.323 -26.609 1.00 0.00 H new ATOM 0 HA3 GLY A 271 22.250 10.377 -27.282 1.00 0.00 H new ATOM 79 N GLY A 272 22.538 13.291 -26.797 1.00 0.00 N ATOM 80 CA GLY A 272 22.732 14.648 -27.282 1.00 0.00 C ATOM 81 C GLY A 272 23.633 15.430 -26.334 1.00 0.00 C ATOM 82 O GLY A 272 24.844 15.209 -26.289 1.00 0.00 O ATOM 0 H GLY A 272 21.817 13.196 -26.082 1.00 0.00 H new ATOM 0 HA2 GLY A 272 23.175 14.625 -28.278 1.00 0.00 H new ATOM 0 HA3 GLY A 272 21.768 15.149 -27.373 1.00 0.00 H new ATOM 86 N GLY A 273 23.035 16.339 -25.571 1.00 0.00 N ATOM 87 CA GLY A 273 23.797 17.141 -24.619 1.00 0.00 C ATOM 88 C GLY A 273 23.949 16.400 -23.295 1.00 0.00 C ATOM 89 O GLY A 273 23.309 15.372 -23.074 1.00 0.00 O ATOM 0 H GLY A 273 22.035 16.538 -25.592 1.00 0.00 H new ATOM 0 HA2 GLY A 273 24.781 17.367 -25.031 1.00 0.00 H new ATOM 0 HA3 GLY A 273 23.294 18.094 -24.453 1.00 0.00 H new ATOM 93 N LYS A 274 24.796 16.927 -22.416 1.00 0.00 N ATOM 94 CA LYS A 274 25.016 16.299 -21.116 1.00 0.00 C ATOM 95 C LYS A 274 24.166 16.969 -20.040 1.00 0.00 C ATOM 96 O LYS A 274 24.299 18.166 -19.787 1.00 0.00 O ATOM 97 CB LYS A 274 26.493 16.401 -20.733 1.00 0.00 C ATOM 98 CG LYS A 274 26.750 15.584 -19.464 1.00 0.00 C ATOM 99 CD LYS A 274 28.209 15.751 -19.036 1.00 0.00 C ATOM 100 CE LYS A 274 28.502 14.831 -17.849 1.00 0.00 C ATOM 101 NZ LYS A 274 27.240 14.567 -17.101 1.00 0.00 N ATOM 0 H LYS A 274 25.336 17.777 -22.576 1.00 0.00 H new ATOM 0 HA LYS A 274 24.727 15.251 -21.189 1.00 0.00 H new ATOM 0 HB2 LYS A 274 27.117 16.033 -21.548 1.00 0.00 H new ATOM 0 HB3 LYS A 274 26.766 17.443 -20.568 1.00 0.00 H new ATOM 0 HG2 LYS A 274 26.086 15.914 -18.665 1.00 0.00 H new ATOM 0 HG3 LYS A 274 26.531 14.532 -19.646 1.00 0.00 H new ATOM 0 HD2 LYS A 274 28.872 15.512 -19.867 1.00 0.00 H new ATOM 0 HD3 LYS A 274 28.402 16.788 -18.762 1.00 0.00 H new ATOM 0 HE2 LYS A 274 28.932 13.893 -18.200 1.00 0.00 H new ATOM 0 HE3 LYS A 274 29.238 15.293 -17.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 27.463 14.102 -16.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 26.752 15.466 -16.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 26.624 13.949 -17.667 1.00 0.00 H new ATOM 115 N VAL A 275 23.301 16.186 -19.406 1.00 0.00 N ATOM 116 CA VAL A 275 22.441 16.712 -18.351 1.00 0.00 C ATOM 117 C VAL A 275 22.114 15.620 -17.337 1.00 0.00 C ATOM 118 O VAL A 275 21.632 15.899 -16.239 1.00 0.00 O ATOM 119 CB VAL A 275 21.145 17.257 -18.955 1.00 0.00 C ATOM 120 CG1 VAL A 275 20.139 17.543 -17.838 1.00 0.00 C ATOM 121 CG2 VAL A 275 21.443 18.551 -19.714 1.00 0.00 C ATOM 0 H VAL A 275 23.176 15.193 -19.601 1.00 0.00 H new ATOM 0 HA VAL A 275 22.970 17.519 -17.843 1.00 0.00 H new ATOM 0 HB VAL A 275 20.726 16.520 -19.640 1.00 0.00 H new ATOM 0 HG11 VAL A 275 19.216 17.931 -18.270 1.00 0.00 H new ATOM 0 HG12 VAL A 275 19.926 16.622 -17.295 1.00 0.00 H new ATOM 0 HG13 VAL A 275 20.557 18.280 -17.152 1.00 0.00 H new ATOM 0 HG21 VAL A 275 20.521 18.941 -20.145 1.00 0.00 H new ATOM 0 HG22 VAL A 275 21.862 19.287 -19.028 1.00 0.00 H new ATOM 0 HG23 VAL A 275 22.159 18.349 -20.511 1.00 0.00 H new ATOM 131 N GLN A 276 22.374 14.377 -17.723 1.00 0.00 N ATOM 132 CA GLN A 276 22.101 13.234 -16.858 1.00 0.00 C ATOM 133 C GLN A 276 23.246 12.230 -16.917 1.00 0.00 C ATOM 134 O GLN A 276 24.165 12.369 -17.724 1.00 0.00 O ATOM 135 CB GLN A 276 20.805 12.554 -17.291 1.00 0.00 C ATOM 136 CG GLN A 276 20.931 12.111 -18.746 1.00 0.00 C ATOM 137 CD GLN A 276 21.667 10.780 -18.812 1.00 0.00 C ATOM 138 OE1 GLN A 276 21.067 9.729 -18.592 1.00 0.00 O ATOM 139 NE2 GLN A 276 22.941 10.767 -19.089 1.00 0.00 N ATOM 0 H GLN A 276 22.774 14.134 -18.629 1.00 0.00 H new ATOM 0 HA GLN A 276 22.001 13.593 -15.834 1.00 0.00 H new ATOM 0 HB2 GLN A 276 20.601 11.694 -16.653 1.00 0.00 H new ATOM 0 HB3 GLN A 276 19.966 13.240 -17.179 1.00 0.00 H new ATOM 0 HG2 GLN A 276 19.942 12.014 -19.194 1.00 0.00 H new ATOM 0 HG3 GLN A 276 21.469 12.865 -19.321 1.00 0.00 H new ATOM 0 HE21 GLN A 276 23.432 11.642 -19.270 1.00 0.00 H new ATOM 0 HE22 GLN A 276 23.446 9.882 -19.124 1.00 0.00 H new ATOM 148 N ILE A 277 23.183 11.216 -16.059 1.00 0.00 N ATOM 149 CA ILE A 277 24.223 10.195 -16.031 1.00 0.00 C ATOM 150 C ILE A 277 24.101 9.304 -17.265 1.00 0.00 C ATOM 151 O ILE A 277 23.003 8.911 -17.656 1.00 0.00 O ATOM 152 CB ILE A 277 24.090 9.348 -14.762 1.00 0.00 C ATOM 153 CG1 ILE A 277 24.095 10.269 -13.538 1.00 0.00 C ATOM 154 CG2 ILE A 277 25.269 8.376 -14.659 1.00 0.00 C ATOM 155 CD1 ILE A 277 23.854 9.441 -12.275 1.00 0.00 C ATOM 0 H ILE A 277 22.432 11.080 -15.382 1.00 0.00 H new ATOM 0 HA ILE A 277 25.200 10.679 -16.032 1.00 0.00 H new ATOM 0 HB ILE A 277 23.158 8.785 -14.803 1.00 0.00 H new ATOM 0 HG12 ILE A 277 25.049 10.791 -13.467 1.00 0.00 H new ATOM 0 HG13 ILE A 277 23.322 11.030 -13.639 1.00 0.00 H new ATOM 0 HG21 ILE A 277 25.168 7.777 -13.754 1.00 0.00 H new ATOM 0 HG22 ILE A 277 25.277 7.720 -15.530 1.00 0.00 H new ATOM 0 HG23 ILE A 277 26.202 8.938 -14.620 1.00 0.00 H new ATOM 0 HD11 ILE A 277 23.858 10.096 -11.404 1.00 0.00 H new ATOM 0 HD12 ILE A 277 22.889 8.939 -12.348 1.00 0.00 H new ATOM 0 HD13 ILE A 277 24.643 8.696 -12.172 1.00 0.00 H new ATOM 167 N ILE A 278 25.239 9.006 -17.879 1.00 0.00 N ATOM 168 CA ILE A 278 25.263 8.183 -19.083 1.00 0.00 C ATOM 169 C ILE A 278 24.539 6.859 -18.861 1.00 0.00 C ATOM 170 O ILE A 278 24.154 6.185 -19.817 1.00 0.00 O ATOM 171 CB ILE A 278 26.709 7.932 -19.497 1.00 0.00 C ATOM 172 CG1 ILE A 278 27.384 9.281 -19.753 1.00 0.00 C ATOM 173 CG2 ILE A 278 26.739 7.093 -20.777 1.00 0.00 C ATOM 174 CD1 ILE A 278 28.882 9.073 -19.986 1.00 0.00 C ATOM 0 H ILE A 278 26.157 9.321 -17.564 1.00 0.00 H new ATOM 0 HA ILE A 278 24.743 8.716 -19.879 1.00 0.00 H new ATOM 0 HB ILE A 278 27.235 7.395 -18.708 1.00 0.00 H new ATOM 0 HG12 ILE A 278 26.935 9.764 -20.621 1.00 0.00 H new ATOM 0 HG13 ILE A 278 27.227 9.944 -18.902 1.00 0.00 H new ATOM 0 HG21 ILE A 278 27.773 6.915 -21.071 1.00 0.00 H new ATOM 0 HG22 ILE A 278 26.243 6.139 -20.598 1.00 0.00 H new ATOM 0 HG23 ILE A 278 26.222 7.627 -21.574 1.00 0.00 H new ATOM 0 HD11 ILE A 278 29.359 10.036 -20.168 1.00 0.00 H new ATOM 0 HD12 ILE A 278 29.326 8.609 -19.106 1.00 0.00 H new ATOM 0 HD13 ILE A 278 29.029 8.426 -20.851 1.00 0.00 H new ATOM 186 N ASN A 279 24.340 6.498 -17.600 1.00 0.00 N ATOM 187 CA ASN A 279 23.642 5.259 -17.267 1.00 0.00 C ATOM 188 C ASN A 279 22.303 5.179 -18.003 1.00 0.00 C ATOM 189 O ASN A 279 21.569 4.201 -17.864 1.00 0.00 O ATOM 190 CB ASN A 279 23.408 5.175 -15.758 1.00 0.00 C ATOM 191 CG ASN A 279 23.044 3.745 -15.374 1.00 0.00 C ATOM 192 OD1 ASN A 279 22.747 2.924 -16.242 1.00 0.00 O ATOM 193 ND2 ASN A 279 23.055 3.394 -14.117 1.00 0.00 N ATOM 0 H ASN A 279 24.649 7.041 -16.794 1.00 0.00 H new ATOM 0 HA ASN A 279 24.264 4.421 -17.581 1.00 0.00 H new ATOM 0 HB2 ASN A 279 24.304 5.489 -15.223 1.00 0.00 H new ATOM 0 HB3 ASN A 279 22.608 5.855 -15.466 1.00 0.00 H new ATOM 0 HD21 ASN A 279 22.817 2.438 -13.852 1.00 0.00 H new ATOM 0 HD22 ASN A 279 23.301 4.076 -13.399 1.00 0.00 H new ATOM 200 N LYS A 280 21.992 6.231 -18.761 1.00 0.00 N ATOM 201 CA LYS A 280 20.741 6.319 -19.516 1.00 0.00 C ATOM 202 C LYS A 280 20.320 4.981 -20.121 1.00 0.00 C ATOM 203 O LYS A 280 19.193 4.849 -20.597 1.00 0.00 O ATOM 204 CB LYS A 280 20.899 7.351 -20.638 1.00 0.00 C ATOM 205 CG LYS A 280 21.697 6.749 -21.812 1.00 0.00 C ATOM 206 CD LYS A 280 20.746 6.289 -22.926 1.00 0.00 C ATOM 207 CE LYS A 280 21.562 5.891 -24.159 1.00 0.00 C ATOM 208 NZ LYS A 280 20.639 5.453 -25.244 1.00 0.00 N ATOM 0 H LYS A 280 22.598 7.044 -18.869 1.00 0.00 H new ATOM 0 HA LYS A 280 19.961 6.619 -18.816 1.00 0.00 H new ATOM 0 HB2 LYS A 280 19.917 7.674 -20.985 1.00 0.00 H new ATOM 0 HB3 LYS A 280 21.410 8.236 -20.258 1.00 0.00 H new ATOM 0 HG2 LYS A 280 22.395 7.490 -22.203 1.00 0.00 H new ATOM 0 HG3 LYS A 280 22.291 5.905 -21.461 1.00 0.00 H new ATOM 0 HD2 LYS A 280 20.149 5.444 -22.583 1.00 0.00 H new ATOM 0 HD3 LYS A 280 20.051 7.089 -23.179 1.00 0.00 H new ATOM 0 HE2 LYS A 280 22.165 6.734 -24.497 1.00 0.00 H new ATOM 0 HE3 LYS A 280 22.253 5.086 -23.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 20.670 4.417 -25.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 19.669 5.753 -25.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 20.932 5.883 -26.144 1.00 0.00 H new ATOM 222 N LYS A 281 21.205 3.991 -20.115 1.00 0.00 N ATOM 223 CA LYS A 281 20.850 2.699 -20.687 1.00 0.00 C ATOM 224 C LYS A 281 19.459 2.304 -20.209 1.00 0.00 C ATOM 225 O LYS A 281 18.669 1.736 -20.964 1.00 0.00 O ATOM 226 CB LYS A 281 21.855 1.625 -20.259 1.00 0.00 C ATOM 227 CG LYS A 281 23.220 1.884 -20.913 1.00 0.00 C ATOM 228 CD LYS A 281 24.018 2.911 -20.103 1.00 0.00 C ATOM 229 CE LYS A 281 25.504 2.778 -20.439 1.00 0.00 C ATOM 230 NZ LYS A 281 26.268 3.860 -19.757 1.00 0.00 N ATOM 0 H LYS A 281 22.148 4.054 -19.732 1.00 0.00 H new ATOM 0 HA LYS A 281 20.865 2.780 -21.774 1.00 0.00 H new ATOM 0 HB2 LYS A 281 21.958 1.625 -19.174 1.00 0.00 H new ATOM 0 HB3 LYS A 281 21.488 0.639 -20.545 1.00 0.00 H new ATOM 0 HG2 LYS A 281 23.780 0.951 -20.981 1.00 0.00 H new ATOM 0 HG3 LYS A 281 23.079 2.246 -21.931 1.00 0.00 H new ATOM 0 HD2 LYS A 281 23.671 3.919 -20.330 1.00 0.00 H new ATOM 0 HD3 LYS A 281 23.859 2.752 -19.036 1.00 0.00 H new ATOM 0 HE2 LYS A 281 25.873 1.803 -20.122 1.00 0.00 H new ATOM 0 HE3 LYS A 281 25.651 2.839 -21.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 27.004 4.222 -20.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 25.621 4.633 -19.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 26.713 3.481 -18.897 1.00 0.00 H new ATOM 244 N LEU A 282 19.161 2.631 -18.957 1.00 0.00 N ATOM 245 CA LEU A 282 17.855 2.329 -18.386 1.00 0.00 C ATOM 246 C LEU A 282 16.782 3.201 -19.033 1.00 0.00 C ATOM 247 O LEU A 282 15.623 2.801 -19.144 1.00 0.00 O ATOM 248 CB LEU A 282 17.869 2.572 -16.875 1.00 0.00 C ATOM 249 CG LEU A 282 18.740 1.513 -16.190 1.00 0.00 C ATOM 250 CD1 LEU A 282 20.223 1.823 -16.419 1.00 0.00 C ATOM 251 CD2 LEU A 282 18.449 1.513 -14.687 1.00 0.00 C ATOM 0 H LEU A 282 19.803 3.103 -18.321 1.00 0.00 H new ATOM 0 HA LEU A 282 17.628 1.280 -18.578 1.00 0.00 H new ATOM 0 HB2 LEU A 282 18.255 3.569 -16.661 1.00 0.00 H new ATOM 0 HB3 LEU A 282 16.853 2.532 -16.481 1.00 0.00 H new ATOM 0 HG LEU A 282 18.511 0.535 -16.612 1.00 0.00 H new ATOM 0 HD11 LEU A 282 20.833 1.065 -15.928 1.00 0.00 H new ATOM 0 HD12 LEU A 282 20.434 1.822 -17.488 1.00 0.00 H new ATOM 0 HD13 LEU A 282 20.458 2.803 -16.003 1.00 0.00 H new ATOM 0 HD21 LEU A 282 19.067 0.761 -14.197 1.00 0.00 H new ATOM 0 HD22 LEU A 282 18.676 2.495 -14.272 1.00 0.00 H new ATOM 0 HD23 LEU A 282 17.397 1.283 -14.520 1.00 0.00 H new ATOM 263 N ASP A 283 17.178 4.403 -19.448 1.00 0.00 N ATOM 264 CA ASP A 283 16.245 5.336 -20.072 1.00 0.00 C ATOM 265 C ASP A 283 16.252 5.190 -21.590 1.00 0.00 C ATOM 266 O ASP A 283 17.302 5.004 -22.205 1.00 0.00 O ATOM 267 CB ASP A 283 16.616 6.772 -19.696 1.00 0.00 C ATOM 268 CG ASP A 283 16.410 6.990 -18.201 1.00 0.00 C ATOM 269 OD1 ASP A 283 15.785 6.146 -17.580 1.00 0.00 O ATOM 270 OD2 ASP A 283 16.880 7.998 -17.699 1.00 0.00 O ATOM 0 H ASP A 283 18.133 4.751 -19.364 1.00 0.00 H new ATOM 0 HA ASP A 283 15.244 5.106 -19.708 1.00 0.00 H new ATOM 0 HB2 ASP A 283 17.655 6.969 -19.961 1.00 0.00 H new ATOM 0 HB3 ASP A 283 16.004 7.474 -20.262 1.00 0.00 H new ATOM 275 N LEU A 284 15.065 5.284 -22.184 1.00 0.00 N ATOM 276 CA LEU A 284 14.919 5.173 -23.631 1.00 0.00 C ATOM 277 C LEU A 284 14.479 6.502 -24.228 1.00 0.00 C ATOM 278 O LEU A 284 13.958 7.368 -23.527 1.00 0.00 O ATOM 279 CB LEU A 284 13.889 4.102 -23.982 1.00 0.00 C ATOM 280 CG LEU A 284 14.295 2.768 -23.361 1.00 0.00 C ATOM 281 CD1 LEU A 284 13.280 1.699 -23.765 1.00 0.00 C ATOM 282 CD2 LEU A 284 15.683 2.373 -23.876 1.00 0.00 C ATOM 0 H LEU A 284 14.189 5.437 -21.684 1.00 0.00 H new ATOM 0 HA LEU A 284 15.888 4.895 -24.046 1.00 0.00 H new ATOM 0 HB2 LEU A 284 12.905 4.398 -23.618 1.00 0.00 H new ATOM 0 HB3 LEU A 284 13.811 4.001 -25.064 1.00 0.00 H new ATOM 0 HG LEU A 284 14.321 2.858 -22.275 1.00 0.00 H new ATOM 0 HD11 LEU A 284 13.564 0.743 -23.325 1.00 0.00 H new ATOM 0 HD12 LEU A 284 12.290 1.983 -23.408 1.00 0.00 H new ATOM 0 HD13 LEU A 284 13.261 1.607 -24.851 1.00 0.00 H new ATOM 0 HD21 LEU A 284 15.977 1.421 -23.435 1.00 0.00 H new ATOM 0 HD22 LEU A 284 15.655 2.277 -24.961 1.00 0.00 H new ATOM 0 HD23 LEU A 284 16.406 3.140 -23.598 1.00 0.00 H new ATOM 294 N SER A 285 14.687 6.650 -25.528 1.00 0.00 N ATOM 295 CA SER A 285 14.302 7.871 -26.217 1.00 0.00 C ATOM 296 C SER A 285 12.822 8.158 -25.995 1.00 0.00 C ATOM 297 O SER A 285 12.232 7.715 -25.011 1.00 0.00 O ATOM 298 CB SER A 285 14.570 7.732 -27.713 1.00 0.00 C ATOM 299 OG SER A 285 13.360 7.390 -28.377 1.00 0.00 O ATOM 0 H SER A 285 15.118 5.943 -26.124 1.00 0.00 H new ATOM 0 HA SER A 285 14.892 8.696 -25.816 1.00 0.00 H new ATOM 0 HB2 SER A 285 14.966 8.666 -28.112 1.00 0.00 H new ATOM 0 HB3 SER A 285 15.324 6.965 -27.889 1.00 0.00 H new ATOM 0 HG SER A 285 13.528 7.302 -29.338 1.00 0.00 H new ATOM 305 N ASN A 286 12.233 8.902 -26.918 1.00 0.00 N ATOM 306 CA ASN A 286 10.820 9.252 -26.822 1.00 0.00 C ATOM 307 C ASN A 286 9.998 8.040 -26.400 1.00 0.00 C ATOM 308 O ASN A 286 8.850 8.169 -25.974 1.00 0.00 O ATOM 309 CB ASN A 286 10.316 9.768 -28.172 1.00 0.00 C ATOM 310 CG ASN A 286 8.960 10.443 -28.000 1.00 0.00 C ATOM 311 OD1 ASN A 286 8.427 10.495 -26.892 1.00 0.00 O ATOM 312 ND2 ASN A 286 8.366 10.967 -29.038 1.00 0.00 N ATOM 0 H ASN A 286 12.707 9.275 -27.740 1.00 0.00 H new ATOM 0 HA ASN A 286 10.708 10.034 -26.071 1.00 0.00 H new ATOM 0 HB2 ASN A 286 11.032 10.475 -28.591 1.00 0.00 H new ATOM 0 HB3 ASN A 286 10.233 8.942 -28.878 1.00 0.00 H new ATOM 0 HD21 ASN A 286 7.459 11.420 -28.931 1.00 0.00 H new ATOM 0 HD22 ASN A 286 8.809 10.923 -29.956 1.00 0.00 H new ATOM 319 N VAL A 287 10.599 6.861 -26.518 1.00 0.00 N ATOM 320 CA VAL A 287 9.924 5.625 -26.145 1.00 0.00 C ATOM 321 C VAL A 287 9.367 5.724 -24.728 1.00 0.00 C ATOM 322 O VAL A 287 8.644 4.836 -24.276 1.00 0.00 O ATOM 323 CB VAL A 287 10.898 4.454 -26.234 1.00 0.00 C ATOM 324 CG1 VAL A 287 10.254 3.206 -25.632 1.00 0.00 C ATOM 325 CG2 VAL A 287 11.245 4.192 -27.702 1.00 0.00 C ATOM 0 H VAL A 287 11.549 6.736 -26.868 1.00 0.00 H new ATOM 0 HA VAL A 287 9.096 5.461 -26.835 1.00 0.00 H new ATOM 0 HB VAL A 287 11.806 4.694 -25.682 1.00 0.00 H new ATOM 0 HG11 VAL A 287 10.951 2.370 -25.696 1.00 0.00 H new ATOM 0 HG12 VAL A 287 10.006 3.392 -24.587 1.00 0.00 H new ATOM 0 HG13 VAL A 287 9.345 2.964 -26.183 1.00 0.00 H new ATOM 0 HG21 VAL A 287 11.941 3.356 -27.768 1.00 0.00 H new ATOM 0 HG22 VAL A 287 10.336 3.952 -28.253 1.00 0.00 H new ATOM 0 HG23 VAL A 287 11.706 5.082 -28.131 1.00 0.00 H new