USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=3 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 X(o=0,f=-0.012) USER MOD Single : A 269 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.21) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 GLN : amide:sc= -3.65! C(o=-3.7!,f=-3.4!) USER MOD Single : A 279 ASN : amide:sc= -0.0126 K(o=-0.013,f=-1.8!) USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 139:sc= 0.112 (180deg=-0.136) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 286 ASN :FLIP amide:sc= -0.0333 F(o=-1.6!,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 23 N HIS A 268 12.542 -2.085 -35.792 1.00 0.00 N ATOM 24 CA HIS A 268 13.981 -2.180 -36.019 1.00 0.00 C ATOM 25 C HIS A 268 14.751 -1.619 -34.827 1.00 0.00 C ATOM 26 O HIS A 268 15.806 -2.137 -34.464 1.00 0.00 O ATOM 27 CB HIS A 268 14.361 -1.412 -37.285 1.00 0.00 C ATOM 28 CG HIS A 268 15.826 -1.601 -37.567 1.00 0.00 C ATOM 29 ND1 HIS A 268 16.359 -2.831 -37.919 1.00 0.00 N ATOM 30 CD2 HIS A 268 16.883 -0.724 -37.557 1.00 0.00 C ATOM 31 CE1 HIS A 268 17.681 -2.662 -38.104 1.00 0.00 C ATOM 32 NE2 HIS A 268 18.053 -1.396 -37.896 1.00 0.00 N ATOM 0 HA HIS A 268 14.242 -3.231 -36.141 1.00 0.00 H new ATOM 0 HB2 HIS A 268 13.769 -1.766 -38.129 1.00 0.00 H new ATOM 0 HB3 HIS A 268 14.138 -0.352 -37.161 1.00 0.00 H new ATOM 0 HD2 HIS A 268 16.816 0.328 -37.322 1.00 0.00 H new ATOM 0 HE1 HIS A 268 18.359 -3.454 -38.386 1.00 0.00 H new ATOM 0 HE2 HIS A 268 18.993 -1.006 -37.970 1.00 0.00 H new ATOM 41 N GLN A 269 14.216 -0.557 -34.228 1.00 0.00 N ATOM 42 CA GLN A 269 14.858 0.074 -33.078 1.00 0.00 C ATOM 43 C GLN A 269 15.915 1.083 -33.549 1.00 0.00 C ATOM 44 O GLN A 269 16.799 0.731 -34.329 1.00 0.00 O ATOM 45 CB GLN A 269 15.520 -0.996 -32.199 1.00 0.00 C ATOM 46 CG GLN A 269 15.547 -0.533 -30.741 1.00 0.00 C ATOM 47 CD GLN A 269 16.075 -1.650 -29.847 1.00 0.00 C ATOM 48 OE1 GLN A 269 17.249 -2.011 -29.932 1.00 0.00 O ATOM 49 NE2 GLN A 269 15.275 -2.223 -28.991 1.00 0.00 N ATOM 0 H GLN A 269 13.343 -0.117 -34.519 1.00 0.00 H new ATOM 0 HA GLN A 269 14.100 0.600 -32.497 1.00 0.00 H new ATOM 0 HB2 GLN A 269 14.973 -1.935 -32.281 1.00 0.00 H new ATOM 0 HB3 GLN A 269 16.535 -1.187 -32.547 1.00 0.00 H new ATOM 0 HG2 GLN A 269 16.178 0.351 -30.643 1.00 0.00 H new ATOM 0 HG3 GLN A 269 14.545 -0.246 -30.424 1.00 0.00 H new ATOM 0 HE21 GLN A 269 14.303 -1.923 -28.922 1.00 0.00 H new ATOM 0 HE22 GLN A 269 15.622 -2.971 -28.391 1.00 0.00 H new ATOM 58 N PRO A 270 15.843 2.322 -33.112 1.00 0.00 N ATOM 59 CA PRO A 270 16.840 3.347 -33.554 1.00 0.00 C ATOM 60 C PRO A 270 18.272 2.943 -33.211 1.00 0.00 C ATOM 61 O PRO A 270 18.545 2.434 -32.124 1.00 0.00 O ATOM 62 CB PRO A 270 16.432 4.626 -32.815 1.00 0.00 C ATOM 63 CG PRO A 270 15.640 4.175 -31.637 1.00 0.00 C ATOM 64 CD PRO A 270 14.987 2.852 -32.030 1.00 0.00 C ATOM 0 HA PRO A 270 16.834 3.471 -34.637 1.00 0.00 H new ATOM 0 HB2 PRO A 270 17.308 5.195 -32.503 1.00 0.00 H new ATOM 0 HB3 PRO A 270 15.841 5.278 -33.458 1.00 0.00 H new ATOM 0 HG2 PRO A 270 16.282 4.046 -30.765 1.00 0.00 H new ATOM 0 HG3 PRO A 270 14.886 4.915 -31.371 1.00 0.00 H new ATOM 0 HD2 PRO A 270 14.944 2.164 -31.185 1.00 0.00 H new ATOM 0 HD3 PRO A 270 13.963 3.001 -32.372 1.00 0.00 H new ATOM 72 N GLY A 271 19.183 3.180 -34.152 1.00 0.00 N ATOM 73 CA GLY A 271 20.590 2.846 -33.956 1.00 0.00 C ATOM 74 C GLY A 271 21.481 4.007 -34.381 1.00 0.00 C ATOM 75 O GLY A 271 22.528 3.809 -34.997 1.00 0.00 O ATOM 0 H GLY A 271 18.972 3.602 -35.056 1.00 0.00 H new ATOM 0 HA2 GLY A 271 20.770 2.607 -32.908 1.00 0.00 H new ATOM 0 HA3 GLY A 271 20.842 1.957 -34.534 1.00 0.00 H new ATOM 79 N GLY A 272 21.051 5.221 -34.052 1.00 0.00 N ATOM 80 CA GLY A 272 21.806 6.419 -34.402 1.00 0.00 C ATOM 81 C GLY A 272 21.173 7.132 -35.593 1.00 0.00 C ATOM 82 O GLY A 272 21.311 8.346 -35.745 1.00 0.00 O ATOM 0 H GLY A 272 20.185 5.401 -33.544 1.00 0.00 H new ATOM 0 HA2 GLY A 272 21.843 7.094 -33.547 1.00 0.00 H new ATOM 0 HA3 GLY A 272 22.835 6.149 -34.639 1.00 0.00 H new ATOM 86 N GLY A 273 20.467 6.375 -36.427 1.00 0.00 N ATOM 87 CA GLY A 273 19.808 6.953 -37.593 1.00 0.00 C ATOM 88 C GLY A 273 18.814 8.026 -37.163 1.00 0.00 C ATOM 89 O GLY A 273 18.637 9.037 -37.843 1.00 0.00 O ATOM 0 H GLY A 273 20.337 5.369 -36.319 1.00 0.00 H new ATOM 0 HA2 GLY A 273 20.552 7.385 -38.263 1.00 0.00 H new ATOM 0 HA3 GLY A 273 19.291 6.172 -38.151 1.00 0.00 H new ATOM 93 N LYS A 274 18.175 7.794 -36.023 1.00 0.00 N ATOM 94 CA LYS A 274 17.202 8.739 -35.487 1.00 0.00 C ATOM 95 C LYS A 274 16.028 8.921 -36.446 1.00 0.00 C ATOM 96 O LYS A 274 15.491 10.020 -36.580 1.00 0.00 O ATOM 97 CB LYS A 274 17.870 10.091 -35.234 1.00 0.00 C ATOM 98 CG LYS A 274 17.036 10.893 -34.234 1.00 0.00 C ATOM 99 CD LYS A 274 17.487 12.355 -34.244 1.00 0.00 C ATOM 100 CE LYS A 274 18.866 12.468 -33.592 1.00 0.00 C ATOM 101 NZ LYS A 274 19.165 13.900 -33.306 1.00 0.00 N ATOM 0 H LYS A 274 18.313 6.960 -35.452 1.00 0.00 H new ATOM 0 HA LYS A 274 16.823 8.337 -34.548 1.00 0.00 H new ATOM 0 HB2 LYS A 274 18.878 9.944 -34.847 1.00 0.00 H new ATOM 0 HB3 LYS A 274 17.965 10.642 -36.169 1.00 0.00 H new ATOM 0 HG2 LYS A 274 15.979 10.826 -34.491 1.00 0.00 H new ATOM 0 HG3 LYS A 274 17.148 10.474 -33.234 1.00 0.00 H new ATOM 0 HD2 LYS A 274 17.525 12.728 -35.268 1.00 0.00 H new ATOM 0 HD3 LYS A 274 16.767 12.972 -33.707 1.00 0.00 H new ATOM 0 HE2 LYS A 274 18.892 11.889 -32.669 1.00 0.00 H new ATOM 0 HE3 LYS A 274 19.627 12.051 -34.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 20.103 13.977 -32.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 19.157 14.441 -34.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 18.445 14.283 -32.661 1.00 0.00 H new ATOM 115 N VAL A 275 15.621 7.837 -37.104 1.00 0.00 N ATOM 116 CA VAL A 275 14.493 7.898 -38.034 1.00 0.00 C ATOM 117 C VAL A 275 13.350 7.033 -37.509 1.00 0.00 C ATOM 118 O VAL A 275 12.305 6.903 -38.146 1.00 0.00 O ATOM 119 CB VAL A 275 14.925 7.421 -39.430 1.00 0.00 C ATOM 120 CG1 VAL A 275 14.199 8.233 -40.508 1.00 0.00 C ATOM 121 CG2 VAL A 275 16.435 7.616 -39.585 1.00 0.00 C ATOM 0 H VAL A 275 16.049 6.916 -37.013 1.00 0.00 H new ATOM 0 HA VAL A 275 14.152 8.930 -38.114 1.00 0.00 H new ATOM 0 HB VAL A 275 14.672 6.367 -39.543 1.00 0.00 H new ATOM 0 HG11 VAL A 275 14.511 7.889 -41.494 1.00 0.00 H new ATOM 0 HG12 VAL A 275 13.123 8.100 -40.401 1.00 0.00 H new ATOM 0 HG13 VAL A 275 14.447 9.289 -40.397 1.00 0.00 H new ATOM 0 HG21 VAL A 275 16.746 7.279 -40.574 1.00 0.00 H new ATOM 0 HG22 VAL A 275 16.679 8.672 -39.468 1.00 0.00 H new ATOM 0 HG23 VAL A 275 16.957 7.036 -38.824 1.00 0.00 H new ATOM 131 N GLN A 276 13.565 6.458 -36.328 1.00 0.00 N ATOM 132 CA GLN A 276 12.560 5.613 -35.687 1.00 0.00 C ATOM 133 C GLN A 276 12.016 6.328 -34.455 1.00 0.00 C ATOM 134 O GLN A 276 12.561 7.348 -34.034 1.00 0.00 O ATOM 135 CB GLN A 276 13.175 4.268 -35.266 1.00 0.00 C ATOM 136 CG GLN A 276 14.475 4.029 -36.028 1.00 0.00 C ATOM 137 CD GLN A 276 14.232 4.096 -37.530 1.00 0.00 C ATOM 138 OE1 GLN A 276 13.141 3.774 -38.001 1.00 0.00 O ATOM 139 NE2 GLN A 276 15.194 4.491 -38.314 1.00 0.00 N ATOM 0 H GLN A 276 14.428 6.562 -35.794 1.00 0.00 H new ATOM 0 HA GLN A 276 11.754 5.423 -36.396 1.00 0.00 H new ATOM 0 HB2 GLN A 276 13.367 4.266 -34.193 1.00 0.00 H new ATOM 0 HB3 GLN A 276 12.472 3.459 -35.466 1.00 0.00 H new ATOM 0 HG2 GLN A 276 15.215 4.775 -35.740 1.00 0.00 H new ATOM 0 HG3 GLN A 276 14.885 3.054 -35.763 1.00 0.00 H new ATOM 0 HE21 GLN A 276 16.096 4.757 -37.920 1.00 0.00 H new ATOM 0 HE22 GLN A 276 15.045 4.534 -39.322 1.00 0.00 H new ATOM 148 N ILE A 277 10.957 5.789 -33.868 1.00 0.00 N ATOM 149 CA ILE A 277 10.393 6.402 -32.678 1.00 0.00 C ATOM 150 C ILE A 277 11.381 6.225 -31.518 1.00 0.00 C ATOM 151 O ILE A 277 11.793 5.109 -31.203 1.00 0.00 O ATOM 152 CB ILE A 277 9.011 5.766 -32.371 1.00 0.00 C ATOM 153 CG1 ILE A 277 7.978 6.864 -32.068 1.00 0.00 C ATOM 154 CG2 ILE A 277 9.082 4.801 -31.179 1.00 0.00 C ATOM 155 CD1 ILE A 277 8.544 7.863 -31.050 1.00 0.00 C ATOM 0 H ILE A 277 10.480 4.946 -34.189 1.00 0.00 H new ATOM 0 HA ILE A 277 10.233 7.469 -32.830 1.00 0.00 H new ATOM 0 HB ILE A 277 8.709 5.202 -33.254 1.00 0.00 H new ATOM 0 HG12 ILE A 277 7.710 7.384 -32.988 1.00 0.00 H new ATOM 0 HG13 ILE A 277 7.064 6.415 -31.678 1.00 0.00 H new ATOM 0 HG21 ILE A 277 8.095 4.376 -30.995 1.00 0.00 H new ATOM 0 HG22 ILE A 277 9.786 3.999 -31.401 1.00 0.00 H new ATOM 0 HG23 ILE A 277 9.415 5.341 -30.293 1.00 0.00 H new ATOM 0 HD11 ILE A 277 7.801 8.634 -30.846 1.00 0.00 H new ATOM 0 HD12 ILE A 277 8.789 7.341 -30.125 1.00 0.00 H new ATOM 0 HD13 ILE A 277 9.444 8.325 -31.455 1.00 0.00 H new ATOM 167 N ILE A 278 11.776 7.339 -30.913 1.00 0.00 N ATOM 168 CA ILE A 278 12.740 7.310 -29.814 1.00 0.00 C ATOM 169 C ILE A 278 12.200 6.532 -28.617 1.00 0.00 C ATOM 170 O ILE A 278 12.970 6.003 -27.815 1.00 0.00 O ATOM 171 CB ILE A 278 13.088 8.739 -29.398 1.00 0.00 C ATOM 172 CG1 ILE A 278 13.671 9.496 -30.603 1.00 0.00 C ATOM 173 CG2 ILE A 278 14.111 8.712 -28.261 1.00 0.00 C ATOM 174 CD1 ILE A 278 14.885 8.750 -31.169 1.00 0.00 C ATOM 0 H ILE A 278 11.446 8.272 -31.162 1.00 0.00 H new ATOM 0 HA ILE A 278 13.639 6.801 -30.163 1.00 0.00 H new ATOM 0 HB ILE A 278 12.186 9.245 -29.054 1.00 0.00 H new ATOM 0 HG12 ILE A 278 12.910 9.603 -31.376 1.00 0.00 H new ATOM 0 HG13 ILE A 278 13.963 10.502 -30.302 1.00 0.00 H new ATOM 0 HG21 ILE A 278 14.356 9.733 -27.968 1.00 0.00 H new ATOM 0 HG22 ILE A 278 13.692 8.180 -27.407 1.00 0.00 H new ATOM 0 HG23 ILE A 278 15.015 8.204 -28.597 1.00 0.00 H new ATOM 0 HD11 ILE A 278 15.285 9.300 -32.021 1.00 0.00 H new ATOM 0 HD12 ILE A 278 15.652 8.666 -30.399 1.00 0.00 H new ATOM 0 HD13 ILE A 278 14.582 7.753 -31.490 1.00 0.00 H new ATOM 186 N ASN A 279 10.881 6.457 -28.501 1.00 0.00 N ATOM 187 CA ASN A 279 10.261 5.732 -27.396 1.00 0.00 C ATOM 188 C ASN A 279 10.532 4.231 -27.510 1.00 0.00 C ATOM 189 O ASN A 279 9.778 3.413 -26.983 1.00 0.00 O ATOM 190 CB ASN A 279 8.754 5.990 -27.366 1.00 0.00 C ATOM 191 CG ASN A 279 8.486 7.468 -27.102 1.00 0.00 C ATOM 192 OD1 ASN A 279 9.390 8.201 -26.701 1.00 0.00 O ATOM 193 ND2 ASN A 279 7.291 7.950 -27.298 1.00 0.00 N ATOM 0 H ASN A 279 10.223 6.885 -29.152 1.00 0.00 H new ATOM 0 HA ASN A 279 10.700 6.094 -26.466 1.00 0.00 H new ATOM 0 HB2 ASN A 279 8.307 5.694 -28.315 1.00 0.00 H new ATOM 0 HB3 ASN A 279 8.288 5.383 -26.590 1.00 0.00 H new ATOM 0 HD21 ASN A 279 7.103 8.936 -27.119 1.00 0.00 H new ATOM 0 HD22 ASN A 279 6.544 7.341 -27.630 1.00 0.00 H new ATOM 200 N LYS A 280 11.607 3.885 -28.215 1.00 0.00 N ATOM 201 CA LYS A 280 11.990 2.491 -28.418 1.00 0.00 C ATOM 202 C LYS A 280 11.759 1.650 -27.164 1.00 0.00 C ATOM 203 O LYS A 280 11.757 0.420 -27.231 1.00 0.00 O ATOM 204 CB LYS A 280 13.471 2.424 -28.808 1.00 0.00 C ATOM 205 CG LYS A 280 14.345 2.512 -27.547 1.00 0.00 C ATOM 206 CD LYS A 280 15.690 3.154 -27.889 1.00 0.00 C ATOM 207 CE LYS A 280 15.551 4.677 -27.850 1.00 0.00 C ATOM 208 NZ LYS A 280 16.894 5.302 -28.014 1.00 0.00 N ATOM 0 H LYS A 280 12.232 4.558 -28.658 1.00 0.00 H new ATOM 0 HA LYS A 280 11.367 2.084 -29.214 1.00 0.00 H new ATOM 0 HB2 LYS A 280 13.675 1.494 -29.339 1.00 0.00 H new ATOM 0 HB3 LYS A 280 13.715 3.240 -29.488 1.00 0.00 H new ATOM 0 HG2 LYS A 280 13.836 3.099 -26.782 1.00 0.00 H new ATOM 0 HG3 LYS A 280 14.502 1.516 -27.133 1.00 0.00 H new ATOM 0 HD2 LYS A 280 16.451 2.829 -27.180 1.00 0.00 H new ATOM 0 HD3 LYS A 280 16.018 2.833 -28.878 1.00 0.00 H new ATOM 0 HE2 LYS A 280 14.883 5.012 -28.643 1.00 0.00 H new ATOM 0 HE3 LYS A 280 15.106 4.988 -26.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 16.801 6.337 -27.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 17.518 4.991 -27.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 17.302 5.014 -28.927 1.00 0.00 H new ATOM 222 N LYS A 281 11.576 2.303 -26.022 1.00 0.00 N ATOM 223 CA LYS A 281 11.361 1.570 -24.783 1.00 0.00 C ATOM 224 C LYS A 281 10.305 0.497 -25.007 1.00 0.00 C ATOM 225 O LYS A 281 10.412 -0.614 -24.487 1.00 0.00 O ATOM 226 CB LYS A 281 10.897 2.516 -23.673 1.00 0.00 C ATOM 227 CG LYS A 281 12.046 3.446 -23.261 1.00 0.00 C ATOM 228 CD LYS A 281 12.201 4.583 -24.279 1.00 0.00 C ATOM 229 CE LYS A 281 12.983 5.739 -23.650 1.00 0.00 C ATOM 230 NZ LYS A 281 13.770 6.436 -24.707 1.00 0.00 N ATOM 0 H LYS A 281 11.572 3.319 -25.929 1.00 0.00 H new ATOM 0 HA LYS A 281 12.301 1.109 -24.481 1.00 0.00 H new ATOM 0 HB2 LYS A 281 10.047 3.105 -24.018 1.00 0.00 H new ATOM 0 HB3 LYS A 281 10.557 1.940 -22.812 1.00 0.00 H new ATOM 0 HG2 LYS A 281 11.852 3.859 -22.271 1.00 0.00 H new ATOM 0 HG3 LYS A 281 12.975 2.880 -23.194 1.00 0.00 H new ATOM 0 HD2 LYS A 281 12.720 4.221 -25.166 1.00 0.00 H new ATOM 0 HD3 LYS A 281 11.220 4.929 -24.603 1.00 0.00 H new ATOM 0 HE2 LYS A 281 12.298 6.438 -23.171 1.00 0.00 H new ATOM 0 HE3 LYS A 281 13.649 5.362 -22.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 13.721 7.464 -24.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 14.762 6.127 -24.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 13.377 6.205 -25.642 1.00 0.00 H new ATOM 244 N LEU A 282 9.299 0.830 -25.807 1.00 0.00 N ATOM 245 CA LEU A 282 8.240 -0.122 -26.119 1.00 0.00 C ATOM 246 C LEU A 282 8.774 -1.216 -27.038 1.00 0.00 C ATOM 247 O LEU A 282 8.361 -2.373 -26.952 1.00 0.00 O ATOM 248 CB LEU A 282 7.068 0.594 -26.794 1.00 0.00 C ATOM 249 CG LEU A 282 6.315 1.437 -25.760 1.00 0.00 C ATOM 250 CD1 LEU A 282 7.157 2.651 -25.364 1.00 0.00 C ATOM 251 CD2 LEU A 282 4.990 1.913 -26.361 1.00 0.00 C ATOM 0 H LEU A 282 9.194 1.744 -26.248 1.00 0.00 H new ATOM 0 HA LEU A 282 7.892 -0.574 -25.190 1.00 0.00 H new ATOM 0 HB2 LEU A 282 7.433 1.230 -27.600 1.00 0.00 H new ATOM 0 HB3 LEU A 282 6.394 -0.135 -27.244 1.00 0.00 H new ATOM 0 HG LEU A 282 6.122 0.830 -24.875 1.00 0.00 H new ATOM 0 HD11 LEU A 282 6.615 3.245 -24.629 1.00 0.00 H new ATOM 0 HD12 LEU A 282 8.101 2.315 -24.934 1.00 0.00 H new ATOM 0 HD13 LEU A 282 7.356 3.259 -26.246 1.00 0.00 H new ATOM 0 HD21 LEU A 282 4.452 2.513 -25.627 1.00 0.00 H new ATOM 0 HD22 LEU A 282 5.188 2.516 -27.247 1.00 0.00 H new ATOM 0 HD23 LEU A 282 4.385 1.050 -26.637 1.00 0.00 H new ATOM 263 N ASP A 283 9.697 -0.835 -27.920 1.00 0.00 N ATOM 264 CA ASP A 283 10.288 -1.782 -28.860 1.00 0.00 C ATOM 265 C ASP A 283 11.549 -2.414 -28.277 1.00 0.00 C ATOM 266 O ASP A 283 12.454 -1.713 -27.823 1.00 0.00 O ATOM 267 CB ASP A 283 10.636 -1.069 -30.169 1.00 0.00 C ATOM 268 CG ASP A 283 9.360 -0.622 -30.874 1.00 0.00 C ATOM 269 OD1 ASP A 283 8.298 -1.068 -30.474 1.00 0.00 O ATOM 270 OD2 ASP A 283 9.465 0.158 -31.807 1.00 0.00 O ATOM 0 H ASP A 283 10.049 0.119 -28.002 1.00 0.00 H new ATOM 0 HA ASP A 283 9.559 -2.569 -29.052 1.00 0.00 H new ATOM 0 HB2 ASP A 283 11.270 -0.206 -29.965 1.00 0.00 H new ATOM 0 HB3 ASP A 283 11.204 -1.737 -30.817 1.00 0.00 H new ATOM 275 N LEU A 284 11.606 -3.741 -28.311 1.00 0.00 N ATOM 276 CA LEU A 284 12.764 -4.468 -27.803 1.00 0.00 C ATOM 277 C LEU A 284 13.623 -4.936 -28.971 1.00 0.00 C ATOM 278 O LEU A 284 14.612 -5.646 -28.784 1.00 0.00 O ATOM 279 CB LEU A 284 12.292 -5.675 -26.963 1.00 0.00 C ATOM 280 CG LEU A 284 12.847 -5.588 -25.536 1.00 0.00 C ATOM 281 CD1 LEU A 284 12.053 -6.526 -24.627 1.00 0.00 C ATOM 282 CD2 LEU A 284 14.320 -6.002 -25.543 1.00 0.00 C ATOM 0 H LEU A 284 10.865 -4.334 -28.684 1.00 0.00 H new ATOM 0 HA LEU A 284 13.359 -3.812 -27.168 1.00 0.00 H new ATOM 0 HB2 LEU A 284 11.203 -5.702 -26.935 1.00 0.00 H new ATOM 0 HB3 LEU A 284 12.621 -6.602 -27.431 1.00 0.00 H new ATOM 0 HG LEU A 284 12.759 -4.566 -25.166 1.00 0.00 H new ATOM 0 HD11 LEU A 284 12.445 -6.467 -23.612 1.00 0.00 H new ATOM 0 HD12 LEU A 284 11.003 -6.232 -24.629 1.00 0.00 H new ATOM 0 HD13 LEU A 284 12.144 -7.549 -24.992 1.00 0.00 H new ATOM 0 HD21 LEU A 284 14.720 -5.942 -24.531 1.00 0.00 H new ATOM 0 HD22 LEU A 284 14.409 -7.025 -25.908 1.00 0.00 H new ATOM 0 HD23 LEU A 284 14.883 -5.334 -26.195 1.00 0.00 H new ATOM 294 N SER A 285 13.224 -4.538 -30.173 1.00 0.00 N ATOM 295 CA SER A 285 13.942 -4.921 -31.380 1.00 0.00 C ATOM 296 C SER A 285 13.424 -6.262 -31.880 1.00 0.00 C ATOM 297 O SER A 285 12.499 -6.832 -31.304 1.00 0.00 O ATOM 298 CB SER A 285 15.446 -5.013 -31.102 1.00 0.00 C ATOM 299 OG SER A 285 16.160 -4.707 -32.293 1.00 0.00 O ATOM 0 H SER A 285 12.407 -3.950 -30.337 1.00 0.00 H new ATOM 0 HA SER A 285 13.776 -4.162 -32.144 1.00 0.00 H new ATOM 0 HB2 SER A 285 15.725 -4.320 -30.308 1.00 0.00 H new ATOM 0 HB3 SER A 285 15.704 -6.014 -30.756 1.00 0.00 H new ATOM 0 HG SER A 285 17.123 -4.763 -32.120 1.00 0.00 H new ATOM 305 N ASN A 286 14.025 -6.764 -32.947 1.00 0.00 N ATOM 306 CA ASN A 286 13.610 -8.044 -33.503 1.00 0.00 C ATOM 307 C ASN A 286 13.517 -9.097 -32.402 1.00 0.00 C ATOM 308 O ASN A 286 12.787 -10.081 -32.530 1.00 0.00 O ATOM 309 CB ASN A 286 14.610 -8.503 -34.568 1.00 0.00 C ATOM 310 CG ASN A 286 14.073 -9.732 -35.296 1.00 0.00 C ATOM 311 OD1 ASN A 286 12.786 -9.940 -35.352 1.00 0.00 O flip ATOM 312 ND2 ASN A 286 14.849 -10.525 -35.830 1.00 0.00 N flip ATOM 0 H ASN A 286 14.794 -6.311 -33.442 1.00 0.00 H new ATOM 0 HA ASN A 286 12.628 -7.920 -33.960 1.00 0.00 H new ATOM 0 HB2 ASN A 286 14.789 -7.698 -35.281 1.00 0.00 H new ATOM 0 HB3 ASN A 286 15.568 -8.736 -34.103 1.00 0.00 H new ATOM 0 HD21 ASN A 286 15.855 -10.362 -35.786 1.00 0.00 H new ATOM 0 HD22 ASN A 286 14.486 -11.345 -36.316 1.00 0.00 H new ATOM 319 N VAL A 287 14.265 -8.886 -31.323 1.00 0.00 N ATOM 320 CA VAL A 287 14.264 -9.826 -30.208 1.00 0.00 C ATOM 321 C VAL A 287 12.868 -9.966 -29.609 1.00 0.00 C ATOM 322 O VAL A 287 12.477 -11.048 -29.172 1.00 0.00 O ATOM 323 CB VAL A 287 15.235 -9.350 -29.126 1.00 0.00 C ATOM 324 CG1 VAL A 287 15.092 -10.234 -27.887 1.00 0.00 C ATOM 325 CG2 VAL A 287 16.670 -9.441 -29.654 1.00 0.00 C ATOM 0 H VAL A 287 14.875 -8.078 -31.198 1.00 0.00 H new ATOM 0 HA VAL A 287 14.579 -10.799 -30.586 1.00 0.00 H new ATOM 0 HB VAL A 287 15.008 -8.317 -28.863 1.00 0.00 H new ATOM 0 HG11 VAL A 287 15.784 -9.895 -27.116 1.00 0.00 H new ATOM 0 HG12 VAL A 287 14.071 -10.171 -27.511 1.00 0.00 H new ATOM 0 HG13 VAL A 287 15.319 -11.267 -28.149 1.00 0.00 H new ATOM 0 HG21 VAL A 287 17.363 -9.102 -28.884 1.00 0.00 H new ATOM 0 HG22 VAL A 287 16.896 -10.474 -29.917 1.00 0.00 H new ATOM 0 HG23 VAL A 287 16.773 -8.811 -30.538 1.00 0.00 H new