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= -1.15 K(o=-1.2,f=-0.18) USER MOD Single : A 269 GLN : amide:sc= -12.3! C(o=-12!,f=-11!) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 279 ASN : amide:sc= -3.84! K(o=-3.8!,f=-1) USER MOD Single : A 280 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0289) USER MOD Single : A 281 LYS NZ :NH3+ 164:sc=-0.00842 (180deg=-0.319) USER MOD Single : A 285 SER OG : rot 180:sc= 0.221 USER MOD Single : A 286 ASN : amide:sc= -0.782 K(o=-0.78,f=0) USER MOD ----------------------------------------------------------------- ATOM 23 N HIS A 268 17.614 -22.538 -13.532 1.00 0.00 N ATOM 24 CA HIS A 268 16.371 -23.020 -14.125 1.00 0.00 C ATOM 25 C HIS A 268 16.500 -23.124 -15.643 1.00 0.00 C ATOM 26 O HIS A 268 15.916 -24.012 -16.266 1.00 0.00 O ATOM 27 CB HIS A 268 15.222 -22.073 -13.779 1.00 0.00 C ATOM 28 CG HIS A 268 13.957 -22.572 -14.420 1.00 0.00 C ATOM 29 ND1 HIS A 268 12.984 -23.251 -13.704 1.00 0.00 N ATOM 30 CD2 HIS A 268 13.494 -22.505 -15.712 1.00 0.00 C ATOM 31 CE1 HIS A 268 11.994 -23.564 -14.561 1.00 0.00 C ATOM 32 NE2 HIS A 268 12.255 -23.131 -15.798 1.00 0.00 N ATOM 0 HA HIS A 268 16.164 -24.010 -13.719 1.00 0.00 H new ATOM 0 HB2 HIS A 268 15.097 -22.014 -12.698 1.00 0.00 H new ATOM 0 HB3 HIS A 268 15.448 -21.066 -14.129 1.00 0.00 H new ATOM 0 HD2 HIS A 268 14.013 -22.037 -16.535 1.00 0.00 H new ATOM 0 HE1 HIS A 268 11.098 -24.100 -14.283 1.00 0.00 H new ATOM 0 HE2 HIS A 268 11.671 -23.237 -16.627 1.00 0.00 H new ATOM 41 N GLN A 269 17.251 -22.197 -16.231 1.00 0.00 N ATOM 42 CA GLN A 269 17.436 -22.176 -17.682 1.00 0.00 C ATOM 43 C GLN A 269 17.465 -23.594 -18.255 1.00 0.00 C ATOM 44 O GLN A 269 17.012 -23.821 -19.376 1.00 0.00 O ATOM 45 CB GLN A 269 18.736 -21.436 -18.065 1.00 0.00 C ATOM 46 CG GLN A 269 19.192 -20.520 -16.923 1.00 0.00 C ATOM 47 CD GLN A 269 18.170 -19.411 -16.697 1.00 0.00 C ATOM 48 OE1 GLN A 269 18.324 -18.602 -15.784 1.00 0.00 O ATOM 49 NE2 GLN A 269 17.133 -19.320 -17.484 1.00 0.00 N ATOM 0 H GLN A 269 17.739 -21.454 -15.731 1.00 0.00 H new ATOM 0 HA GLN A 269 16.587 -21.642 -18.109 1.00 0.00 H new ATOM 0 HB2 GLN A 269 19.519 -22.159 -18.293 1.00 0.00 H new ATOM 0 HB3 GLN A 269 18.573 -20.847 -18.968 1.00 0.00 H new ATOM 0 HG2 GLN A 269 19.317 -21.101 -16.009 1.00 0.00 H new ATOM 0 HG3 GLN A 269 20.163 -20.086 -17.161 1.00 0.00 H new ATOM 0 HE21 GLN A 269 17.007 -19.992 -18.241 1.00 0.00 H new ATOM 0 HE22 GLN A 269 16.449 -18.577 -17.342 1.00 0.00 H new ATOM 58 N PRO A 270 17.991 -24.542 -17.523 1.00 0.00 N ATOM 59 CA PRO A 270 18.065 -25.942 -18.015 1.00 0.00 C ATOM 60 C PRO A 270 17.168 -26.884 -17.217 1.00 0.00 C ATOM 61 O PRO A 270 17.599 -27.474 -16.227 1.00 0.00 O ATOM 62 CB PRO A 270 19.554 -26.309 -17.828 1.00 0.00 C ATOM 63 CG PRO A 270 20.164 -25.179 -17.044 1.00 0.00 C ATOM 64 CD PRO A 270 19.008 -24.363 -16.493 1.00 0.00 C ATOM 0 HA PRO A 270 17.720 -26.034 -19.045 1.00 0.00 H new ATOM 0 HB2 PRO A 270 19.659 -27.254 -17.296 1.00 0.00 H new ATOM 0 HB3 PRO A 270 20.050 -26.428 -18.791 1.00 0.00 H new ATOM 0 HG2 PRO A 270 20.789 -25.560 -16.237 1.00 0.00 H new ATOM 0 HG3 PRO A 270 20.803 -24.566 -17.680 1.00 0.00 H new ATOM 0 HD2 PRO A 270 18.675 -24.731 -15.523 1.00 0.00 H new ATOM 0 HD3 PRO A 270 19.275 -23.314 -16.361 1.00 0.00 H new ATOM 72 N GLY A 271 15.922 -27.031 -17.654 1.00 0.00 N ATOM 73 CA GLY A 271 14.996 -27.916 -16.965 1.00 0.00 C ATOM 74 C GLY A 271 15.599 -29.310 -16.845 1.00 0.00 C ATOM 75 O GLY A 271 15.447 -29.980 -15.823 1.00 0.00 O ATOM 0 H GLY A 271 15.536 -26.556 -18.470 1.00 0.00 H new ATOM 0 HA2 GLY A 271 14.772 -27.521 -15.974 1.00 0.00 H new ATOM 0 HA3 GLY A 271 14.053 -27.964 -17.510 1.00 0.00 H new ATOM 79 N GLY A 272 16.294 -29.732 -17.896 1.00 0.00 N ATOM 80 CA GLY A 272 16.932 -31.041 -17.907 1.00 0.00 C ATOM 81 C GLY A 272 18.052 -31.113 -16.875 1.00 0.00 C ATOM 82 O GLY A 272 18.226 -32.130 -16.202 1.00 0.00 O ATOM 0 H GLY A 272 16.429 -29.188 -18.748 1.00 0.00 H new ATOM 0 HA2 GLY A 272 16.191 -31.812 -17.698 1.00 0.00 H new ATOM 0 HA3 GLY A 272 17.334 -31.245 -18.899 1.00 0.00 H new ATOM 86 N GLY A 273 18.813 -30.029 -16.761 1.00 0.00 N ATOM 87 CA GLY A 273 19.919 -29.978 -15.811 1.00 0.00 C ATOM 88 C GLY A 273 19.450 -29.479 -14.450 1.00 0.00 C ATOM 89 O GLY A 273 19.101 -28.309 -14.293 1.00 0.00 O ATOM 0 H GLY A 273 18.686 -29.179 -17.311 1.00 0.00 H new ATOM 0 HA2 GLY A 273 20.359 -30.970 -15.706 1.00 0.00 H new ATOM 0 HA3 GLY A 273 20.701 -29.321 -16.193 1.00 0.00 H new ATOM 93 N LYS A 274 19.444 -30.374 -13.469 1.00 0.00 N ATOM 94 CA LYS A 274 19.016 -30.014 -12.123 1.00 0.00 C ATOM 95 C LYS A 274 19.894 -28.901 -11.560 1.00 0.00 C ATOM 96 O LYS A 274 19.414 -28.011 -10.857 1.00 0.00 O ATOM 97 CB LYS A 274 19.095 -31.239 -11.210 1.00 0.00 C ATOM 98 CG LYS A 274 18.181 -32.339 -11.752 1.00 0.00 C ATOM 99 CD LYS A 274 18.055 -33.458 -10.717 1.00 0.00 C ATOM 100 CE LYS A 274 19.418 -34.121 -10.512 1.00 0.00 C ATOM 101 NZ LYS A 274 19.228 -35.483 -9.939 1.00 0.00 N ATOM 0 H LYS A 274 19.728 -31.347 -13.579 1.00 0.00 H new ATOM 0 HA LYS A 274 17.987 -29.659 -12.170 1.00 0.00 H new ATOM 0 HB2 LYS A 274 20.122 -31.599 -11.155 1.00 0.00 H new ATOM 0 HB3 LYS A 274 18.797 -30.970 -10.197 1.00 0.00 H new ATOM 0 HG2 LYS A 274 17.197 -31.929 -11.980 1.00 0.00 H new ATOM 0 HG3 LYS A 274 18.585 -32.735 -12.684 1.00 0.00 H new ATOM 0 HD2 LYS A 274 17.690 -33.055 -9.773 1.00 0.00 H new ATOM 0 HD3 LYS A 274 17.326 -34.196 -11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 274 19.949 -34.185 -11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 274 20.031 -33.516 -9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 20.155 -35.933 -9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 18.738 -35.410 -9.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 18.658 -36.058 -10.592 1.00 0.00 H new ATOM 115 N VAL A 275 21.186 -28.959 -11.874 1.00 0.00 N ATOM 116 CA VAL A 275 22.126 -27.951 -11.396 1.00 0.00 C ATOM 117 C VAL A 275 23.202 -27.684 -12.442 1.00 0.00 C ATOM 118 O VAL A 275 24.094 -26.862 -12.236 1.00 0.00 O ATOM 119 CB VAL A 275 22.777 -28.413 -10.092 1.00 0.00 C ATOM 120 CG1 VAL A 275 23.540 -29.718 -10.334 1.00 0.00 C ATOM 121 CG2 VAL A 275 23.751 -27.339 -9.602 1.00 0.00 C ATOM 0 H VAL A 275 21.603 -29.688 -12.453 1.00 0.00 H new ATOM 0 HA VAL A 275 21.576 -27.028 -11.214 1.00 0.00 H new ATOM 0 HB VAL A 275 22.005 -28.578 -9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 275 24.004 -30.046 -9.404 1.00 0.00 H new ATOM 0 HG12 VAL A 275 22.849 -30.484 -10.685 1.00 0.00 H new ATOM 0 HG13 VAL A 275 24.312 -29.554 -11.086 1.00 0.00 H new ATOM 0 HG21 VAL A 275 24.216 -27.667 -8.672 1.00 0.00 H new ATOM 0 HG22 VAL A 275 24.522 -27.176 -10.355 1.00 0.00 H new ATOM 0 HG23 VAL A 275 23.210 -26.409 -9.429 1.00 0.00 H new ATOM 131 N GLN A 276 23.103 -28.379 -13.568 1.00 0.00 N ATOM 132 CA GLN A 276 24.062 -28.205 -14.650 1.00 0.00 C ATOM 133 C GLN A 276 23.504 -27.192 -15.635 1.00 0.00 C ATOM 134 O GLN A 276 22.295 -27.138 -15.839 1.00 0.00 O ATOM 135 CB GLN A 276 24.291 -29.539 -15.359 1.00 0.00 C ATOM 136 CG GLN A 276 24.817 -30.566 -14.354 1.00 0.00 C ATOM 137 CD GLN A 276 24.976 -31.922 -15.029 1.00 0.00 C ATOM 138 OE1 GLN A 276 24.754 -32.047 -16.233 1.00 0.00 O ATOM 139 NE2 GLN A 276 25.341 -32.955 -14.319 1.00 0.00 N ATOM 0 H GLN A 276 22.372 -29.065 -13.755 1.00 0.00 H new ATOM 0 HA GLN A 276 25.012 -27.852 -14.249 1.00 0.00 H new ATOM 0 HB2 GLN A 276 23.360 -29.892 -15.803 1.00 0.00 H new ATOM 0 HB3 GLN A 276 25.004 -29.413 -16.173 1.00 0.00 H new ATOM 0 HG2 GLN A 276 25.775 -30.236 -13.952 1.00 0.00 H new ATOM 0 HG3 GLN A 276 24.130 -30.648 -13.512 1.00 0.00 H new ATOM 0 HE21 GLN A 276 25.524 -32.849 -13.321 1.00 0.00 H new ATOM 0 HE22 GLN A 276 25.443 -33.868 -14.762 1.00 0.00 H new ATOM 148 N ILE A 277 24.368 -26.374 -16.230 1.00 0.00 N ATOM 149 CA ILE A 277 23.890 -25.358 -17.165 1.00 0.00 C ATOM 150 C ILE A 277 24.044 -25.784 -18.615 1.00 0.00 C ATOM 151 O ILE A 277 25.145 -26.062 -19.089 1.00 0.00 O ATOM 152 CB ILE A 277 24.647 -24.045 -16.955 1.00 0.00 C ATOM 153 CG1 ILE A 277 26.137 -24.338 -16.762 1.00 0.00 C ATOM 154 CG2 ILE A 277 24.102 -23.330 -15.719 1.00 0.00 C ATOM 155 CD1 ILE A 277 26.936 -23.044 -16.925 1.00 0.00 C ATOM 0 H ILE A 277 25.378 -26.391 -16.087 1.00 0.00 H new ATOM 0 HA ILE A 277 22.828 -25.223 -16.961 1.00 0.00 H new ATOM 0 HB ILE A 277 24.513 -23.408 -17.829 1.00 0.00 H new ATOM 0 HG12 ILE A 277 26.310 -24.763 -15.773 1.00 0.00 H new ATOM 0 HG13 ILE A 277 26.470 -25.078 -17.490 1.00 0.00 H new ATOM 0 HG21 ILE A 277 24.643 -22.395 -15.571 1.00 0.00 H new ATOM 0 HG22 ILE A 277 23.042 -23.118 -15.859 1.00 0.00 H new ATOM 0 HG23 ILE A 277 24.232 -23.966 -14.844 1.00 0.00 H new ATOM 0 HD11 ILE A 277 27.997 -23.252 -16.788 1.00 0.00 H new ATOM 0 HD12 ILE A 277 26.772 -22.638 -17.923 1.00 0.00 H new ATOM 0 HD13 ILE A 277 26.609 -22.318 -16.180 1.00 0.00 H new ATOM 167 N ILE A 278 22.921 -25.767 -19.325 1.00 0.00 N ATOM 168 CA ILE A 278 22.901 -26.083 -20.742 1.00 0.00 C ATOM 169 C ILE A 278 22.441 -24.837 -21.475 1.00 0.00 C ATOM 170 O ILE A 278 21.269 -24.472 -21.399 1.00 0.00 O ATOM 171 CB ILE A 278 21.935 -27.238 -21.025 1.00 0.00 C ATOM 172 CG1 ILE A 278 22.280 -28.434 -20.131 1.00 0.00 C ATOM 173 CG2 ILE A 278 22.052 -27.652 -22.492 1.00 0.00 C ATOM 174 CD1 ILE A 278 23.767 -28.772 -20.272 1.00 0.00 C ATOM 0 H ILE A 278 22.007 -25.535 -18.935 1.00 0.00 H new ATOM 0 HA ILE A 278 23.893 -26.390 -21.074 1.00 0.00 H new ATOM 0 HB ILE A 278 20.916 -26.913 -20.816 1.00 0.00 H new ATOM 0 HG12 ILE A 278 22.047 -28.203 -19.092 1.00 0.00 H new ATOM 0 HG13 ILE A 278 21.673 -29.296 -20.410 1.00 0.00 H new ATOM 0 HG21 ILE A 278 21.365 -28.474 -22.694 1.00 0.00 H new ATOM 0 HG22 ILE A 278 21.802 -26.805 -23.130 1.00 0.00 H new ATOM 0 HG23 ILE A 278 23.073 -27.973 -22.699 1.00 0.00 H new ATOM 0 HD11 ILE A 278 24.009 -29.623 -19.635 1.00 0.00 H new ATOM 0 HD12 ILE A 278 23.986 -29.022 -21.310 1.00 0.00 H new ATOM 0 HD13 ILE A 278 24.366 -27.912 -19.972 1.00 0.00 H new ATOM 186 N ASN A 279 23.378 -24.179 -22.154 1.00 0.00 N ATOM 187 CA ASN A 279 23.091 -22.941 -22.879 1.00 0.00 C ATOM 188 C ASN A 279 21.793 -22.290 -22.397 1.00 0.00 C ATOM 189 O ASN A 279 21.712 -21.820 -21.261 1.00 0.00 O ATOM 190 CB ASN A 279 23.007 -23.213 -24.380 1.00 0.00 C ATOM 191 CG ASN A 279 22.924 -21.889 -25.126 1.00 0.00 C ATOM 192 OD1 ASN A 279 22.678 -21.864 -26.332 1.00 0.00 O ATOM 193 ND2 ASN A 279 23.115 -20.777 -24.469 1.00 0.00 N ATOM 0 H ASN A 279 24.349 -24.484 -22.218 1.00 0.00 H new ATOM 0 HA ASN A 279 23.909 -22.249 -22.680 1.00 0.00 H new ATOM 0 HB2 ASN A 279 23.881 -23.775 -24.709 1.00 0.00 H new ATOM 0 HB3 ASN A 279 22.133 -23.825 -24.602 1.00 0.00 H new ATOM 0 HD21 ASN A 279 23.061 -19.882 -24.955 1.00 0.00 H new ATOM 0 HD22 ASN A 279 23.318 -20.803 -23.470 1.00 0.00 H new ATOM 200 N LYS A 280 20.783 -22.269 -23.260 1.00 0.00 N ATOM 201 CA LYS A 280 19.496 -21.678 -22.907 1.00 0.00 C ATOM 202 C LYS A 280 19.703 -20.431 -22.057 1.00 0.00 C ATOM 203 O LYS A 280 18.816 -20.025 -21.306 1.00 0.00 O ATOM 204 CB LYS A 280 18.641 -22.687 -22.124 1.00 0.00 C ATOM 205 CG LYS A 280 18.682 -24.065 -22.800 1.00 0.00 C ATOM 206 CD LYS A 280 17.809 -24.071 -24.066 1.00 0.00 C ATOM 207 CE LYS A 280 18.454 -24.954 -25.139 1.00 0.00 C ATOM 208 NZ LYS A 280 18.402 -26.380 -24.708 1.00 0.00 N ATOM 0 H LYS A 280 20.829 -22.652 -24.204 1.00 0.00 H new ATOM 0 HA LYS A 280 18.981 -21.407 -23.829 1.00 0.00 H new ATOM 0 HB2 LYS A 280 19.008 -22.766 -21.101 1.00 0.00 H new ATOM 0 HB3 LYS A 280 17.611 -22.334 -22.067 1.00 0.00 H new ATOM 0 HG2 LYS A 280 19.710 -24.319 -23.059 1.00 0.00 H new ATOM 0 HG3 LYS A 280 18.331 -24.828 -22.105 1.00 0.00 H new ATOM 0 HD2 LYS A 280 16.812 -24.441 -23.829 1.00 0.00 H new ATOM 0 HD3 LYS A 280 17.691 -23.055 -24.442 1.00 0.00 H new ATOM 0 HE2 LYS A 280 17.932 -24.831 -26.088 1.00 0.00 H new ATOM 0 HE3 LYS A 280 19.488 -24.650 -25.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 18.778 -26.985 -25.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 18.975 -26.504 -23.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 17.417 -26.647 -24.509 1.00 0.00 H new ATOM 222 N LYS A 281 20.876 -19.826 -22.182 1.00 0.00 N ATOM 223 CA LYS A 281 21.190 -18.624 -21.424 1.00 0.00 C ATOM 224 C LYS A 281 20.133 -17.554 -21.678 1.00 0.00 C ATOM 225 O LYS A 281 19.907 -16.677 -20.843 1.00 0.00 O ATOM 226 CB LYS A 281 22.574 -18.100 -21.821 1.00 0.00 C ATOM 227 CG LYS A 281 23.014 -16.992 -20.857 1.00 0.00 C ATOM 228 CD LYS A 281 23.566 -17.610 -19.566 1.00 0.00 C ATOM 229 CE LYS A 281 24.247 -16.523 -18.732 1.00 0.00 C ATOM 230 NZ LYS A 281 23.260 -15.456 -18.406 1.00 0.00 N ATOM 0 H LYS A 281 21.623 -20.146 -22.799 1.00 0.00 H new ATOM 0 HA LYS A 281 21.196 -18.868 -20.362 1.00 0.00 H new ATOM 0 HB2 LYS A 281 23.298 -18.915 -21.806 1.00 0.00 H new ATOM 0 HB3 LYS A 281 22.547 -17.716 -22.841 1.00 0.00 H new ATOM 0 HG2 LYS A 281 23.776 -16.371 -21.327 1.00 0.00 H new ATOM 0 HG3 LYS A 281 22.170 -16.342 -20.627 1.00 0.00 H new ATOM 0 HD2 LYS A 281 22.759 -18.069 -18.995 1.00 0.00 H new ATOM 0 HD3 LYS A 281 24.278 -18.401 -19.804 1.00 0.00 H new ATOM 0 HE2 LYS A 281 24.651 -16.952 -17.815 1.00 0.00 H new ATOM 0 HE3 LYS A 281 25.087 -16.100 -19.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 23.628 -14.867 -17.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 23.099 -14.863 -19.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 22.362 -15.891 -18.113 1.00 0.00 H new ATOM 244 N LEU A 282 19.489 -17.632 -22.839 1.00 0.00 N ATOM 245 CA LEU A 282 18.457 -16.664 -23.196 1.00 0.00 C ATOM 246 C LEU A 282 17.358 -16.639 -22.139 1.00 0.00 C ATOM 247 O LEU A 282 16.706 -15.615 -21.932 1.00 0.00 O ATOM 248 CB LEU A 282 17.851 -17.024 -24.555 1.00 0.00 C ATOM 249 CG LEU A 282 18.956 -17.102 -25.612 1.00 0.00 C ATOM 250 CD1 LEU A 282 18.334 -17.386 -26.980 1.00 0.00 C ATOM 251 CD2 LEU A 282 19.712 -15.771 -25.664 1.00 0.00 C ATOM 0 H LEU A 282 19.661 -18.349 -23.543 1.00 0.00 H new ATOM 0 HA LEU A 282 18.915 -15.677 -23.252 1.00 0.00 H new ATOM 0 HB2 LEU A 282 17.330 -17.979 -24.489 1.00 0.00 H new ATOM 0 HB3 LEU A 282 17.112 -16.277 -24.843 1.00 0.00 H new ATOM 0 HG LEU A 282 19.648 -17.903 -25.352 1.00 0.00 H new ATOM 0 HD11 LEU A 282 19.120 -17.442 -27.733 1.00 0.00 H new ATOM 0 HD12 LEU A 282 17.797 -18.334 -26.946 1.00 0.00 H new ATOM 0 HD13 LEU A 282 17.641 -16.585 -27.238 1.00 0.00 H new ATOM 0 HD21 LEU A 282 20.498 -15.828 -26.417 1.00 0.00 H new ATOM 0 HD22 LEU A 282 19.020 -14.969 -25.922 1.00 0.00 H new ATOM 0 HD23 LEU A 282 20.157 -15.567 -24.690 1.00 0.00 H new ATOM 263 N ASP A 283 17.158 -17.770 -21.472 1.00 0.00 N ATOM 264 CA ASP A 283 16.136 -17.867 -20.436 1.00 0.00 C ATOM 265 C ASP A 283 16.593 -17.151 -19.167 1.00 0.00 C ATOM 266 O ASP A 283 17.791 -17.037 -18.905 1.00 0.00 O ATOM 267 CB ASP A 283 15.845 -19.336 -20.128 1.00 0.00 C ATOM 268 CG ASP A 283 15.143 -19.988 -21.313 1.00 0.00 C ATOM 269 OD1 ASP A 283 14.736 -19.263 -22.208 1.00 0.00 O ATOM 270 OD2 ASP A 283 15.020 -21.201 -21.311 1.00 0.00 O ATOM 0 H ASP A 283 17.687 -18.628 -21.629 1.00 0.00 H new ATOM 0 HA ASP A 283 15.226 -17.389 -20.798 1.00 0.00 H new ATOM 0 HB2 ASP A 283 16.775 -19.862 -19.911 1.00 0.00 H new ATOM 0 HB3 ASP A 283 15.221 -19.413 -19.238 1.00 0.00 H new ATOM 275 N LEU A 284 15.632 -16.665 -18.387 1.00 0.00 N ATOM 276 CA LEU A 284 15.943 -15.956 -17.156 1.00 0.00 C ATOM 277 C LEU A 284 15.890 -16.898 -15.968 1.00 0.00 C ATOM 278 O LEU A 284 15.193 -17.911 -15.999 1.00 0.00 O ATOM 279 CB LEU A 284 14.935 -14.833 -16.933 1.00 0.00 C ATOM 280 CG LEU A 284 14.811 -13.991 -18.197 1.00 0.00 C ATOM 281 CD1 LEU A 284 13.755 -12.910 -17.970 1.00 0.00 C ATOM 282 CD2 LEU A 284 16.161 -13.342 -18.502 1.00 0.00 C ATOM 0 H LEU A 284 14.635 -16.750 -18.587 1.00 0.00 H new ATOM 0 HA LEU A 284 16.948 -15.545 -17.247 1.00 0.00 H new ATOM 0 HB2 LEU A 284 13.964 -15.251 -16.667 1.00 0.00 H new ATOM 0 HB3 LEU A 284 15.252 -14.208 -16.098 1.00 0.00 H new ATOM 0 HG LEU A 284 14.515 -14.617 -19.039 1.00 0.00 H new ATOM 0 HD11 LEU A 284 13.658 -12.301 -18.869 1.00 0.00 H new ATOM 0 HD12 LEU A 284 12.797 -13.379 -17.744 1.00 0.00 H new ATOM 0 HD13 LEU A 284 14.055 -12.278 -17.134 1.00 0.00 H new ATOM 0 HD21 LEU A 284 16.079 -12.738 -19.406 1.00 0.00 H new ATOM 0 HD22 LEU A 284 16.456 -12.707 -17.667 1.00 0.00 H new ATOM 0 HD23 LEU A 284 16.912 -14.118 -18.651 1.00 0.00 H new ATOM 294 N SER A 285 16.611 -16.546 -14.915 1.00 0.00 N ATOM 295 CA SER A 285 16.614 -17.357 -13.712 1.00 0.00 C ATOM 296 C SER A 285 15.192 -17.475 -13.178 1.00 0.00 C ATOM 297 O SER A 285 14.237 -17.584 -13.947 1.00 0.00 O ATOM 298 CB SER A 285 17.513 -16.724 -12.651 1.00 0.00 C ATOM 299 OG SER A 285 17.787 -17.679 -11.634 1.00 0.00 O ATOM 0 H SER A 285 17.196 -15.712 -14.870 1.00 0.00 H new ATOM 0 HA SER A 285 16.998 -18.349 -13.951 1.00 0.00 H new ATOM 0 HB2 SER A 285 18.443 -16.382 -13.104 1.00 0.00 H new ATOM 0 HB3 SER A 285 17.026 -15.848 -12.221 1.00 0.00 H new ATOM 0 HG SER A 285 18.365 -17.275 -10.953 1.00 0.00 H new ATOM 305 N ASN A 286 15.054 -17.450 -11.866 1.00 0.00 N ATOM 306 CA ASN A 286 13.739 -17.553 -11.251 1.00 0.00 C ATOM 307 C ASN A 286 12.826 -16.429 -11.736 1.00 0.00 C ATOM 308 O ASN A 286 11.614 -16.472 -11.523 1.00 0.00 O ATOM 309 CB ASN A 286 13.870 -17.489 -9.729 1.00 0.00 C ATOM 310 CG ASN A 286 14.150 -16.056 -9.291 1.00 0.00 C ATOM 311 OD1 ASN A 286 13.325 -15.438 -8.620 1.00 0.00 O ATOM 312 ND2 ASN A 286 15.271 -15.485 -9.641 1.00 0.00 N ATOM 0 H ASN A 286 15.828 -17.360 -11.208 1.00 0.00 H new ATOM 0 HA ASN A 286 13.299 -18.508 -11.538 1.00 0.00 H new ATOM 0 HB2 ASN A 286 12.954 -17.849 -9.261 1.00 0.00 H new ATOM 0 HB3 ASN A 286 14.676 -18.144 -9.397 1.00 0.00 H new ATOM 0 HD21 ASN A 286 15.464 -14.524 -9.358 1.00 0.00 H new ATOM 0 HD22 ASN A 286 15.954 -16.000 -10.197 1.00 0.00 H new ATOM 319 N VAL A 287 13.407 -15.428 -12.392 1.00 0.00 N ATOM 320 CA VAL A 287 12.618 -14.310 -12.899 1.00 0.00 C ATOM 321 C VAL A 287 11.636 -14.799 -13.956 1.00 0.00 C ATOM 322 O VAL A 287 10.513 -14.304 -14.058 1.00 0.00 O ATOM 323 CB VAL A 287 13.536 -13.245 -13.494 1.00 0.00 C ATOM 324 CG1 VAL A 287 12.696 -12.180 -14.202 1.00 0.00 C ATOM 325 CG2 VAL A 287 14.348 -12.590 -12.376 1.00 0.00 C ATOM 0 H VAL A 287 14.407 -15.368 -12.583 1.00 0.00 H new ATOM 0 HA VAL A 287 12.059 -13.872 -12.072 1.00 0.00 H new ATOM 0 HB VAL A 287 14.211 -13.711 -14.212 1.00 0.00 H new ATOM 0 HG11 VAL A 287 13.353 -11.421 -14.626 1.00 0.00 H new ATOM 0 HG12 VAL A 287 12.116 -12.645 -15.000 1.00 0.00 H new ATOM 0 HG13 VAL A 287 12.019 -11.715 -13.485 1.00 0.00 H new ATOM 0 HG21 VAL A 287 15.004 -11.830 -12.800 1.00 0.00 H new ATOM 0 HG22 VAL A 287 13.671 -12.126 -11.658 1.00 0.00 H new ATOM 0 HG23 VAL A 287 14.949 -13.347 -11.871 1.00 0.00 H new