USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=5 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 280 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.108) USER MOD Set 1.2: A 281 LYS NZ :NH3+ 149:sc= -1.05 (180deg=-3.05!) USER MOD Single : A 268 HIS : no HD1:sc= -0.781 X(o=-0.78,f=-1.2) USER MOD Single : A 269 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 274 LYS NZ :NH3+ -161:sc= -0.105 (180deg=-0.802) USER MOD Single : A 276 GLN : amide:sc= -0.688 X(o=-0.69,f=-0.24) USER MOD Single : A 279 ASN :FLIP amide:sc= -4.76! C(o=-8.5!,f=-4.8!) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 286 ASN : amide:sc= -1.22 K(o=-1.2,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 23 N HIS A 268 -2.685 -19.032 -30.538 1.00 0.00 N ATOM 24 CA HIS A 268 -1.508 -18.294 -30.087 1.00 0.00 C ATOM 25 C HIS A 268 -1.454 -18.218 -28.563 1.00 0.00 C ATOM 26 O HIS A 268 -0.433 -17.832 -27.994 1.00 0.00 O ATOM 27 CB HIS A 268 -1.528 -16.876 -30.661 1.00 0.00 C ATOM 28 CG HIS A 268 -0.259 -16.166 -30.278 1.00 0.00 C ATOM 29 ND1 HIS A 268 0.923 -16.335 -30.982 1.00 0.00 N ATOM 30 CD2 HIS A 268 0.031 -15.290 -29.262 1.00 0.00 C ATOM 31 CE1 HIS A 268 1.861 -15.576 -30.385 1.00 0.00 C ATOM 32 NE2 HIS A 268 1.371 -14.918 -29.332 1.00 0.00 N ATOM 0 HA HIS A 268 -0.625 -18.825 -30.441 1.00 0.00 H new ATOM 0 HB2 HIS A 268 -1.625 -16.912 -31.746 1.00 0.00 H new ATOM 0 HB3 HIS A 268 -2.392 -16.330 -30.282 1.00 0.00 H new ATOM 0 HD2 HIS A 268 -0.673 -14.942 -28.521 1.00 0.00 H new ATOM 0 HE1 HIS A 268 2.886 -15.508 -30.718 1.00 0.00 H new ATOM 0 HE2 HIS A 268 1.871 -14.280 -28.712 1.00 0.00 H new ATOM 41 N GLN A 269 -2.568 -18.558 -27.917 1.00 0.00 N ATOM 42 CA GLN A 269 -2.660 -18.504 -26.457 1.00 0.00 C ATOM 43 C GLN A 269 -1.301 -18.741 -25.788 1.00 0.00 C ATOM 44 O GLN A 269 -1.039 -18.205 -24.712 1.00 0.00 O ATOM 45 CB GLN A 269 -3.682 -19.537 -25.951 1.00 0.00 C ATOM 46 CG GLN A 269 -4.622 -19.931 -27.094 1.00 0.00 C ATOM 47 CD GLN A 269 -5.692 -20.889 -26.581 1.00 0.00 C ATOM 48 OE1 GLN A 269 -5.558 -22.104 -26.720 1.00 0.00 O ATOM 49 NE2 GLN A 269 -6.753 -20.410 -25.992 1.00 0.00 N ATOM 0 H GLN A 269 -3.420 -18.874 -28.380 1.00 0.00 H new ATOM 0 HA GLN A 269 -2.991 -17.501 -26.187 1.00 0.00 H new ATOM 0 HB2 GLN A 269 -3.166 -20.418 -25.571 1.00 0.00 H new ATOM 0 HB3 GLN A 269 -4.255 -19.121 -25.122 1.00 0.00 H new ATOM 0 HG2 GLN A 269 -5.090 -19.041 -27.514 1.00 0.00 H new ATOM 0 HG3 GLN A 269 -4.055 -20.402 -27.897 1.00 0.00 H new ATOM 0 HE21 GLN A 269 -6.862 -19.402 -25.878 1.00 0.00 H new ATOM 0 HE22 GLN A 269 -7.474 -21.043 -25.646 1.00 0.00 H new ATOM 58 N PRO A 270 -0.435 -19.514 -26.393 1.00 0.00 N ATOM 59 CA PRO A 270 0.906 -19.773 -25.804 1.00 0.00 C ATOM 60 C PRO A 270 2.022 -19.143 -26.641 1.00 0.00 C ATOM 61 O PRO A 270 2.162 -19.435 -27.829 1.00 0.00 O ATOM 62 CB PRO A 270 1.012 -21.312 -25.792 1.00 0.00 C ATOM 63 CG PRO A 270 -0.193 -21.822 -26.533 1.00 0.00 C ATOM 64 CD PRO A 270 -0.782 -20.626 -27.273 1.00 0.00 C ATOM 0 HA PRO A 270 1.016 -19.336 -24.812 1.00 0.00 H new ATOM 0 HB2 PRO A 270 1.933 -21.642 -26.273 1.00 0.00 H new ATOM 0 HB3 PRO A 270 1.031 -21.693 -24.771 1.00 0.00 H new ATOM 0 HG2 PRO A 270 0.086 -22.611 -27.231 1.00 0.00 H new ATOM 0 HG3 PRO A 270 -0.921 -22.249 -25.843 1.00 0.00 H new ATOM 0 HD2 PRO A 270 -0.349 -20.509 -28.266 1.00 0.00 H new ATOM 0 HD3 PRO A 270 -1.860 -20.720 -27.404 1.00 0.00 H new ATOM 72 N GLY A 271 2.807 -18.276 -26.010 1.00 0.00 N ATOM 73 CA GLY A 271 3.904 -17.604 -26.700 1.00 0.00 C ATOM 74 C GLY A 271 4.848 -18.612 -27.349 1.00 0.00 C ATOM 75 O GLY A 271 5.502 -18.309 -28.347 1.00 0.00 O ATOM 0 H GLY A 271 2.706 -18.023 -25.027 1.00 0.00 H new ATOM 0 HA2 GLY A 271 3.503 -16.935 -27.461 1.00 0.00 H new ATOM 0 HA3 GLY A 271 4.458 -16.986 -25.993 1.00 0.00 H new ATOM 79 N GLY A 272 4.919 -19.807 -26.773 1.00 0.00 N ATOM 80 CA GLY A 272 5.794 -20.848 -27.302 1.00 0.00 C ATOM 81 C GLY A 272 5.566 -21.054 -28.796 1.00 0.00 C ATOM 82 O GLY A 272 6.495 -21.383 -29.534 1.00 0.00 O ATOM 0 H GLY A 272 4.386 -20.078 -25.947 1.00 0.00 H new ATOM 0 HA2 GLY A 272 6.835 -20.577 -27.124 1.00 0.00 H new ATOM 0 HA3 GLY A 272 5.613 -21.783 -26.772 1.00 0.00 H new ATOM 86 N GLY A 273 4.328 -20.860 -29.238 1.00 0.00 N ATOM 87 CA GLY A 273 3.997 -21.030 -30.649 1.00 0.00 C ATOM 88 C GLY A 273 3.778 -22.502 -30.982 1.00 0.00 C ATOM 89 O GLY A 273 2.642 -22.977 -31.016 1.00 0.00 O ATOM 0 H GLY A 273 3.543 -20.587 -28.646 1.00 0.00 H new ATOM 0 HA2 GLY A 273 3.098 -20.461 -30.887 1.00 0.00 H new ATOM 0 HA3 GLY A 273 4.801 -20.629 -31.266 1.00 0.00 H new ATOM 93 N LYS A 274 4.870 -23.222 -31.223 1.00 0.00 N ATOM 94 CA LYS A 274 4.779 -24.641 -31.548 1.00 0.00 C ATOM 95 C LYS A 274 4.103 -25.402 -30.418 1.00 0.00 C ATOM 96 O LYS A 274 3.532 -26.472 -30.632 1.00 0.00 O ATOM 97 CB LYS A 274 6.169 -25.217 -31.804 1.00 0.00 C ATOM 98 CG LYS A 274 6.725 -24.624 -33.097 1.00 0.00 C ATOM 99 CD LYS A 274 8.066 -25.279 -33.428 1.00 0.00 C ATOM 100 CE LYS A 274 8.667 -24.613 -34.668 1.00 0.00 C ATOM 101 NZ LYS A 274 7.663 -24.619 -35.770 1.00 0.00 N ATOM 0 H LYS A 274 5.820 -22.850 -31.200 1.00 0.00 H new ATOM 0 HA LYS A 274 4.180 -24.749 -32.452 1.00 0.00 H new ATOM 0 HB2 LYS A 274 6.831 -24.987 -30.969 1.00 0.00 H new ATOM 0 HB3 LYS A 274 6.118 -26.303 -31.880 1.00 0.00 H new ATOM 0 HG2 LYS A 274 6.021 -24.782 -33.914 1.00 0.00 H new ATOM 0 HG3 LYS A 274 6.852 -23.547 -32.990 1.00 0.00 H new ATOM 0 HD2 LYS A 274 8.748 -25.182 -32.583 1.00 0.00 H new ATOM 0 HD3 LYS A 274 7.928 -26.345 -33.606 1.00 0.00 H new ATOM 0 HE2 LYS A 274 8.963 -23.590 -34.437 1.00 0.00 H new ATOM 0 HE3 LYS A 274 9.567 -25.143 -34.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 8.145 -24.474 -36.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 7.167 -25.533 -35.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 6.975 -23.854 -35.617 1.00 0.00 H new ATOM 115 N VAL A 275 4.156 -24.839 -29.217 1.00 0.00 N ATOM 116 CA VAL A 275 3.528 -25.475 -28.070 1.00 0.00 C ATOM 117 C VAL A 275 2.066 -25.060 -28.006 1.00 0.00 C ATOM 118 O VAL A 275 1.738 -23.884 -28.169 1.00 0.00 O ATOM 119 CB VAL A 275 4.241 -25.065 -26.780 1.00 0.00 C ATOM 120 CG1 VAL A 275 3.633 -25.819 -25.596 1.00 0.00 C ATOM 121 CG2 VAL A 275 5.728 -25.407 -26.891 1.00 0.00 C ATOM 0 H VAL A 275 4.622 -23.954 -29.015 1.00 0.00 H new ATOM 0 HA VAL A 275 3.598 -26.557 -28.177 1.00 0.00 H new ATOM 0 HB VAL A 275 4.123 -23.992 -26.626 1.00 0.00 H new ATOM 0 HG11 VAL A 275 4.142 -25.526 -24.678 1.00 0.00 H new ATOM 0 HG12 VAL A 275 2.573 -25.577 -25.516 1.00 0.00 H new ATOM 0 HG13 VAL A 275 3.750 -26.892 -25.749 1.00 0.00 H new ATOM 0 HG21 VAL A 275 6.238 -25.116 -25.973 1.00 0.00 H new ATOM 0 HG22 VAL A 275 5.844 -26.480 -27.046 1.00 0.00 H new ATOM 0 HG23 VAL A 275 6.163 -24.870 -27.734 1.00 0.00 H new ATOM 131 N GLN A 276 1.188 -26.031 -27.792 1.00 0.00 N ATOM 132 CA GLN A 276 -0.244 -25.759 -27.735 1.00 0.00 C ATOM 133 C GLN A 276 -0.760 -25.848 -26.305 1.00 0.00 C ATOM 134 O GLN A 276 -0.238 -26.608 -25.490 1.00 0.00 O ATOM 135 CB GLN A 276 -0.987 -26.761 -28.618 1.00 0.00 C ATOM 136 CG GLN A 276 -0.397 -26.719 -30.030 1.00 0.00 C ATOM 137 CD GLN A 276 -0.552 -25.320 -30.616 1.00 0.00 C ATOM 138 OE1 GLN A 276 -1.664 -24.799 -30.697 1.00 0.00 O ATOM 139 NE2 GLN A 276 0.506 -24.676 -31.024 1.00 0.00 N ATOM 0 H GLN A 276 1.440 -27.010 -27.655 1.00 0.00 H new ATOM 0 HA GLN A 276 -0.420 -24.746 -28.097 1.00 0.00 H new ATOM 0 HB2 GLN A 276 -0.899 -27.765 -28.203 1.00 0.00 H new ATOM 0 HB3 GLN A 276 -2.050 -26.521 -28.647 1.00 0.00 H new ATOM 0 HG2 GLN A 276 0.657 -26.996 -30.002 1.00 0.00 H new ATOM 0 HG3 GLN A 276 -0.901 -27.447 -30.666 1.00 0.00 H new ATOM 0 HE21 GLN A 276 1.426 -25.111 -30.955 1.00 0.00 H new ATOM 0 HE22 GLN A 276 0.414 -23.737 -31.412 1.00 0.00 H new ATOM 148 N ILE A 277 -1.791 -25.062 -26.009 1.00 0.00 N ATOM 149 CA ILE A 277 -2.373 -25.058 -24.674 1.00 0.00 C ATOM 150 C ILE A 277 -1.269 -25.107 -23.624 1.00 0.00 C ATOM 151 O ILE A 277 -0.411 -24.228 -23.575 1.00 0.00 O ATOM 152 CB ILE A 277 -3.287 -26.273 -24.523 1.00 0.00 C ATOM 153 CG1 ILE A 277 -4.160 -26.387 -25.768 1.00 0.00 C ATOM 154 CG2 ILE A 277 -4.180 -26.110 -23.291 1.00 0.00 C ATOM 155 CD1 ILE A 277 -4.848 -25.047 -26.036 1.00 0.00 C ATOM 0 H ILE A 277 -2.236 -24.426 -26.670 1.00 0.00 H new ATOM 0 HA ILE A 277 -2.951 -24.145 -24.532 1.00 0.00 H new ATOM 0 HB ILE A 277 -2.681 -27.171 -24.403 1.00 0.00 H new ATOM 0 HG12 ILE A 277 -3.552 -26.673 -26.626 1.00 0.00 H new ATOM 0 HG13 ILE A 277 -4.906 -27.170 -25.631 1.00 0.00 H new ATOM 0 HG21 ILE A 277 -4.827 -26.981 -23.193 1.00 0.00 H new ATOM 0 HG22 ILE A 277 -3.558 -26.018 -22.401 1.00 0.00 H new ATOM 0 HG23 ILE A 277 -4.791 -25.214 -23.401 1.00 0.00 H new ATOM 0 HD11 ILE A 277 -5.472 -25.130 -26.926 1.00 0.00 H new ATOM 0 HD12 ILE A 277 -5.469 -24.780 -25.181 1.00 0.00 H new ATOM 0 HD13 ILE A 277 -4.094 -24.276 -26.192 1.00 0.00 H new ATOM 167 N ILE A 278 -1.293 -26.147 -22.799 1.00 0.00 N ATOM 168 CA ILE A 278 -0.289 -26.324 -21.759 1.00 0.00 C ATOM 169 C ILE A 278 0.096 -25.000 -21.099 1.00 0.00 C ATOM 170 O ILE A 278 -0.406 -24.657 -20.029 1.00 0.00 O ATOM 171 CB ILE A 278 0.964 -26.958 -22.368 1.00 0.00 C ATOM 172 CG1 ILE A 278 0.596 -28.294 -23.016 1.00 0.00 C ATOM 173 CG2 ILE A 278 2.002 -27.195 -21.270 1.00 0.00 C ATOM 174 CD1 ILE A 278 1.773 -28.796 -23.854 1.00 0.00 C ATOM 0 H ILE A 278 -1.999 -26.882 -22.831 1.00 0.00 H new ATOM 0 HA ILE A 278 -0.718 -26.970 -20.993 1.00 0.00 H new ATOM 0 HB ILE A 278 1.379 -26.289 -23.122 1.00 0.00 H new ATOM 0 HG12 ILE A 278 0.344 -29.026 -22.248 1.00 0.00 H new ATOM 0 HG13 ILE A 278 -0.287 -28.175 -23.644 1.00 0.00 H new ATOM 0 HG21 ILE A 278 2.894 -27.647 -21.704 1.00 0.00 H new ATOM 0 HG22 ILE A 278 2.265 -26.244 -20.807 1.00 0.00 H new ATOM 0 HG23 ILE A 278 1.587 -27.864 -20.516 1.00 0.00 H new ATOM 0 HD11 ILE A 278 1.511 -29.748 -24.316 1.00 0.00 H new ATOM 0 HD12 ILE A 278 2.004 -28.067 -24.631 1.00 0.00 H new ATOM 0 HD13 ILE A 278 2.644 -28.931 -23.213 1.00 0.00 H new ATOM 186 N ASN A 279 1.016 -24.281 -21.732 1.00 0.00 N ATOM 187 CA ASN A 279 1.502 -23.011 -21.189 1.00 0.00 C ATOM 188 C ASN A 279 0.746 -21.801 -21.744 1.00 0.00 C ATOM 189 O ASN A 279 1.247 -20.678 -21.681 1.00 0.00 O ATOM 190 CB ASN A 279 2.996 -22.863 -21.484 1.00 0.00 C ATOM 191 CG ASN A 279 3.233 -22.833 -22.988 1.00 0.00 C ATOM 192 OD1 ASN A 279 2.327 -23.320 -23.789 1.00 0.00 O flip ATOM 193 ND2 ASN A 279 4.272 -22.359 -23.446 1.00 0.00 N flip ATOM 0 H ASN A 279 1.441 -24.552 -22.619 1.00 0.00 H new ATOM 0 HA ASN A 279 1.327 -23.034 -20.113 1.00 0.00 H new ATOM 0 HB2 ASN A 279 3.375 -21.947 -21.030 1.00 0.00 H new ATOM 0 HB3 ASN A 279 3.546 -23.691 -21.038 1.00 0.00 H new ATOM 0 HD21 ASN A 279 4.979 -21.979 -22.817 1.00 0.00 H new ATOM 0 HD22 ASN A 279 4.426 -22.347 -24.454 1.00 0.00 H new ATOM 200 N LYS A 280 -0.448 -22.015 -22.284 1.00 0.00 N ATOM 201 CA LYS A 280 -1.220 -20.900 -22.834 1.00 0.00 C ATOM 202 C LYS A 280 -1.110 -19.673 -21.933 1.00 0.00 C ATOM 203 O LYS A 280 -1.367 -18.550 -22.366 1.00 0.00 O ATOM 204 CB LYS A 280 -2.698 -21.283 -22.969 1.00 0.00 C ATOM 205 CG LYS A 280 -3.255 -21.740 -21.609 1.00 0.00 C ATOM 206 CD LYS A 280 -3.304 -23.268 -21.552 1.00 0.00 C ATOM 207 CE LYS A 280 -3.634 -23.718 -20.129 1.00 0.00 C ATOM 208 NZ LYS A 280 -5.037 -23.341 -19.798 1.00 0.00 N ATOM 0 H LYS A 280 -0.898 -22.928 -22.354 1.00 0.00 H new ATOM 0 HA LYS A 280 -0.812 -20.667 -23.817 1.00 0.00 H new ATOM 0 HB2 LYS A 280 -3.270 -20.431 -23.337 1.00 0.00 H new ATOM 0 HB3 LYS A 280 -2.809 -22.082 -23.702 1.00 0.00 H new ATOM 0 HG2 LYS A 280 -2.629 -21.357 -20.803 1.00 0.00 H new ATOM 0 HG3 LYS A 280 -4.254 -21.330 -21.459 1.00 0.00 H new ATOM 0 HD2 LYS A 280 -4.055 -23.644 -22.246 1.00 0.00 H new ATOM 0 HD3 LYS A 280 -2.346 -23.684 -21.863 1.00 0.00 H new ATOM 0 HE2 LYS A 280 -3.506 -24.797 -20.039 1.00 0.00 H new ATOM 0 HE3 LYS A 280 -2.946 -23.255 -19.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 -5.304 -23.764 -18.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 -5.113 -22.306 -19.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 -5.675 -23.690 -20.542 1.00 0.00 H new ATOM 222 N LYS A 281 -0.738 -19.895 -20.680 1.00 0.00 N ATOM 223 CA LYS A 281 -0.609 -18.802 -19.722 1.00 0.00 C ATOM 224 C LYS A 281 0.330 -17.718 -20.247 1.00 0.00 C ATOM 225 O LYS A 281 0.183 -16.543 -19.909 1.00 0.00 O ATOM 226 CB LYS A 281 -0.072 -19.330 -18.386 1.00 0.00 C ATOM 227 CG LYS A 281 -1.110 -20.250 -17.722 1.00 0.00 C ATOM 228 CD LYS A 281 -0.863 -21.709 -18.124 1.00 0.00 C ATOM 229 CE LYS A 281 -1.725 -22.627 -17.256 1.00 0.00 C ATOM 230 NZ LYS A 281 -3.148 -22.188 -17.330 1.00 0.00 N ATOM 0 H LYS A 281 -0.521 -20.817 -20.303 1.00 0.00 H new ATOM 0 HA LYS A 281 -1.599 -18.369 -19.576 1.00 0.00 H new ATOM 0 HB2 LYS A 281 0.857 -19.876 -18.550 1.00 0.00 H new ATOM 0 HB3 LYS A 281 0.161 -18.496 -17.724 1.00 0.00 H new ATOM 0 HG2 LYS A 281 -1.054 -20.150 -16.638 1.00 0.00 H new ATOM 0 HG3 LYS A 281 -2.115 -19.949 -18.018 1.00 0.00 H new ATOM 0 HD2 LYS A 281 -1.104 -21.854 -19.177 1.00 0.00 H new ATOM 0 HD3 LYS A 281 0.191 -21.958 -18.001 1.00 0.00 H new ATOM 0 HE2 LYS A 281 -1.633 -23.659 -17.596 1.00 0.00 H new ATOM 0 HE3 LYS A 281 -1.378 -22.600 -16.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 -3.772 -23.013 -17.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 -3.341 -21.506 -16.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 -3.325 -21.738 -18.251 1.00 0.00 H new ATOM 244 N LEU A 282 1.301 -18.117 -21.061 1.00 0.00 N ATOM 245 CA LEU A 282 2.263 -17.164 -21.608 1.00 0.00 C ATOM 246 C LEU A 282 1.567 -16.057 -22.399 1.00 0.00 C ATOM 247 O LEU A 282 1.983 -14.899 -22.352 1.00 0.00 O ATOM 248 CB LEU A 282 3.254 -17.892 -22.520 1.00 0.00 C ATOM 249 CG LEU A 282 3.989 -18.977 -21.728 1.00 0.00 C ATOM 250 CD1 LEU A 282 4.975 -19.697 -22.650 1.00 0.00 C ATOM 251 CD2 LEU A 282 4.754 -18.338 -20.565 1.00 0.00 C ATOM 0 H LEU A 282 1.443 -19.083 -21.355 1.00 0.00 H new ATOM 0 HA LEU A 282 2.792 -16.707 -20.772 1.00 0.00 H new ATOM 0 HB2 LEU A 282 2.726 -18.339 -23.362 1.00 0.00 H new ATOM 0 HB3 LEU A 282 3.971 -17.182 -22.933 1.00 0.00 H new ATOM 0 HG LEU A 282 3.265 -19.691 -21.335 1.00 0.00 H new ATOM 0 HD11 LEU A 282 5.500 -20.470 -22.089 1.00 0.00 H new ATOM 0 HD12 LEU A 282 4.432 -20.154 -23.477 1.00 0.00 H new ATOM 0 HD13 LEU A 282 5.697 -18.980 -23.042 1.00 0.00 H new ATOM 0 HD21 LEU A 282 5.276 -19.113 -20.003 1.00 0.00 H new ATOM 0 HD22 LEU A 282 5.478 -17.623 -20.955 1.00 0.00 H new ATOM 0 HD23 LEU A 282 4.053 -17.823 -19.908 1.00 0.00 H new ATOM 263 N ASP A 283 0.511 -16.411 -23.130 1.00 0.00 N ATOM 264 CA ASP A 283 -0.220 -15.424 -23.927 1.00 0.00 C ATOM 265 C ASP A 283 -1.728 -15.630 -23.818 1.00 0.00 C ATOM 266 O ASP A 283 -2.194 -16.696 -23.420 1.00 0.00 O ATOM 267 CB ASP A 283 0.204 -15.520 -25.394 1.00 0.00 C ATOM 268 CG ASP A 283 1.631 -15.008 -25.561 1.00 0.00 C ATOM 269 OD1 ASP A 283 2.150 -14.442 -24.613 1.00 0.00 O ATOM 270 OD2 ASP A 283 2.183 -15.189 -26.634 1.00 0.00 O ATOM 0 H ASP A 283 0.145 -17.361 -23.188 1.00 0.00 H new ATOM 0 HA ASP A 283 0.020 -14.435 -23.538 1.00 0.00 H new ATOM 0 HB2 ASP A 283 0.138 -16.554 -25.733 1.00 0.00 H new ATOM 0 HB3 ASP A 283 -0.475 -14.937 -26.016 1.00 0.00 H new ATOM 275 N LEU A 284 -2.489 -14.603 -24.194 1.00 0.00 N ATOM 276 CA LEU A 284 -3.943 -14.683 -24.157 1.00 0.00 C ATOM 277 C LEU A 284 -4.465 -14.826 -25.580 1.00 0.00 C ATOM 278 O LEU A 284 -3.706 -14.692 -26.540 1.00 0.00 O ATOM 279 CB LEU A 284 -4.550 -13.428 -23.493 1.00 0.00 C ATOM 280 CG LEU A 284 -3.461 -12.631 -22.755 1.00 0.00 C ATOM 281 CD1 LEU A 284 -2.658 -13.557 -21.818 1.00 0.00 C ATOM 282 CD2 LEU A 284 -2.527 -11.952 -23.782 1.00 0.00 C ATOM 0 H LEU A 284 -2.122 -13.711 -24.526 1.00 0.00 H new ATOM 0 HA LEU A 284 -4.236 -15.549 -23.564 1.00 0.00 H new ATOM 0 HB2 LEU A 284 -5.019 -12.800 -24.250 1.00 0.00 H new ATOM 0 HB3 LEU A 284 -5.332 -13.722 -22.793 1.00 0.00 H new ATOM 0 HG LEU A 284 -3.934 -11.861 -22.146 1.00 0.00 H new ATOM 0 HD11 LEU A 284 -1.891 -12.978 -21.303 1.00 0.00 H new ATOM 0 HD12 LEU A 284 -3.329 -14.003 -21.084 1.00 0.00 H new ATOM 0 HD13 LEU A 284 -2.185 -14.345 -22.403 1.00 0.00 H new ATOM 0 HD21 LEU A 284 -1.757 -11.388 -23.256 1.00 0.00 H new ATOM 0 HD22 LEU A 284 -2.058 -12.713 -24.406 1.00 0.00 H new ATOM 0 HD23 LEU A 284 -3.107 -11.275 -24.410 1.00 0.00 H new ATOM 294 N SER A 285 -5.753 -15.093 -25.720 1.00 0.00 N ATOM 295 CA SER A 285 -6.332 -15.239 -27.045 1.00 0.00 C ATOM 296 C SER A 285 -5.847 -14.106 -27.942 1.00 0.00 C ATOM 297 O SER A 285 -5.182 -13.180 -27.476 1.00 0.00 O ATOM 298 CB SER A 285 -7.858 -15.214 -26.958 1.00 0.00 C ATOM 299 OG SER A 285 -8.295 -16.233 -26.068 1.00 0.00 O ATOM 0 H SER A 285 -6.408 -15.211 -24.947 1.00 0.00 H new ATOM 0 HA SER A 285 -6.019 -16.194 -27.467 1.00 0.00 H new ATOM 0 HB2 SER A 285 -8.198 -14.239 -26.608 1.00 0.00 H new ATOM 0 HB3 SER A 285 -8.293 -15.367 -27.946 1.00 0.00 H new ATOM 0 HG SER A 285 -9.273 -16.218 -26.009 1.00 0.00 H new ATOM 305 N ASN A 286 -6.169 -14.189 -29.225 1.00 0.00 N ATOM 306 CA ASN A 286 -5.754 -13.167 -30.183 1.00 0.00 C ATOM 307 C ASN A 286 -5.997 -11.759 -29.638 1.00 0.00 C ATOM 308 O ASN A 286 -5.608 -10.771 -30.262 1.00 0.00 O ATOM 309 CB ASN A 286 -6.521 -13.343 -31.495 1.00 0.00 C ATOM 310 CG ASN A 286 -5.882 -12.498 -32.591 1.00 0.00 C ATOM 311 OD1 ASN A 286 -4.884 -11.819 -32.350 1.00 0.00 O ATOM 312 ND2 ASN A 286 -6.400 -12.500 -33.788 1.00 0.00 N ATOM 0 H ASN A 286 -6.715 -14.950 -29.629 1.00 0.00 H new ATOM 0 HA ASN A 286 -4.685 -13.287 -30.358 1.00 0.00 H new ATOM 0 HB2 ASN A 286 -6.521 -14.393 -31.788 1.00 0.00 H new ATOM 0 HB3 ASN A 286 -7.562 -13.050 -31.359 1.00 0.00 H new ATOM 0 HD21 ASN A 286 -5.978 -11.938 -34.527 1.00 0.00 H new ATOM 0 HD22 ASN A 286 -7.227 -13.064 -33.985 1.00 0.00 H new ATOM 319 N VAL A 287 -6.651 -11.668 -28.484 1.00 0.00 N ATOM 320 CA VAL A 287 -6.945 -10.372 -27.884 1.00 0.00 C ATOM 321 C VAL A 287 -5.689 -9.508 -27.785 1.00 0.00 C ATOM 322 O VAL A 287 -5.779 -8.281 -27.761 1.00 0.00 O ATOM 323 CB VAL A 287 -7.545 -10.568 -26.489 1.00 0.00 C ATOM 324 CG1 VAL A 287 -6.437 -10.926 -25.493 1.00 0.00 C ATOM 325 CG2 VAL A 287 -8.231 -9.272 -26.045 1.00 0.00 C ATOM 0 H VAL A 287 -6.985 -12.470 -27.949 1.00 0.00 H new ATOM 0 HA VAL A 287 -7.663 -9.860 -28.525 1.00 0.00 H new ATOM 0 HB VAL A 287 -8.274 -11.377 -26.520 1.00 0.00 H new ATOM 0 HG11 VAL A 287 -6.869 -11.064 -24.502 1.00 0.00 H new ATOM 0 HG12 VAL A 287 -5.949 -11.848 -25.808 1.00 0.00 H new ATOM 0 HG13 VAL A 287 -5.704 -10.120 -25.460 1.00 0.00 H new ATOM 0 HG21 VAL A 287 -8.659 -9.409 -25.052 1.00 0.00 H new ATOM 0 HG22 VAL A 287 -7.500 -8.464 -26.017 1.00 0.00 H new ATOM 0 HG23 VAL A 287 -9.023 -9.020 -26.750 1.00 0.00 H new