USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 365 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 305 SER OG : rot 170:sc= -0.223! USER MOD Set 1.2: A 307 GLN : amide:sc= -0.15 X(o=-0.37,f=-0.43) USER MOD Set 2.1: A 268 HIS : no HE2:sc= -1.88 K(o=-6.9,f=-8.4!) USER MOD Set 2.2: A 288 GLN : amide:sc= -4.98 K(o=-6.9,f=-9.6!) USER MOD Set 3.1: A 280 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.108) USER MOD Set 3.2: A 281 LYS NZ :NH3+ 149:sc= -1.05 (180deg=-3.05!) USER MOD Single : A 267 LYS NZ :NH3+ 159:sc= -0.0333 (180deg=-0.432) 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 : amide:sc= -8.55! 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 Single : A 289 SER OG : rot -36:sc= 1.04 USER MOD Single : A 290 LYS NZ :NH3+ 155:sc= -0.173 (180deg=-1.03) USER MOD Single : A 291 CYS SG : rot 180:sc= 0 USER MOD Single : A 293 SER OG : rot 180:sc= 0 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 298 LYS NZ :NH3+ 130:sc= -3.98! (180deg=-6.1!) USER MOD Single : A 299 HIS : no HD1:sc= -16.9! C(o=-17!,f=-19!) USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 311 LYS NZ :NH3+ -158:sc= -0.152 (180deg=-0.965) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 267 -4.429 -22.181 -30.039 1.00 0.00 N ATOM 2 CA LYS A 267 -4.117 -20.977 -30.800 1.00 0.00 C ATOM 3 C LYS A 267 -2.842 -20.326 -30.269 1.00 0.00 C ATOM 4 O LYS A 267 -2.022 -20.984 -29.635 1.00 0.00 O ATOM 5 CB LYS A 267 -5.281 -19.989 -30.711 1.00 0.00 C ATOM 6 CG LYS A 267 -6.528 -20.613 -31.341 1.00 0.00 C ATOM 7 CD LYS A 267 -7.660 -19.585 -31.363 1.00 0.00 C ATOM 8 CE LYS A 267 -8.940 -20.247 -31.872 1.00 0.00 C ATOM 9 NZ LYS A 267 -9.434 -21.221 -30.857 1.00 0.00 N ATOM 0 HA LYS A 267 -3.960 -21.254 -31.842 1.00 0.00 H new ATOM 0 HB2 LYS A 267 -5.476 -19.733 -29.670 1.00 0.00 H new ATOM 0 HB3 LYS A 267 -5.026 -19.062 -31.225 1.00 0.00 H new ATOM 0 HG2 LYS A 267 -6.307 -20.948 -32.355 1.00 0.00 H new ATOM 0 HG3 LYS A 267 -6.833 -21.493 -30.774 1.00 0.00 H new ATOM 0 HD2 LYS A 267 -7.819 -19.182 -30.363 1.00 0.00 H new ATOM 0 HD3 LYS A 267 -7.391 -18.746 -32.005 1.00 0.00 H new ATOM 0 HE2 LYS A 267 -9.701 -19.491 -32.066 1.00 0.00 H new ATOM 0 HE3 LYS A 267 -8.748 -20.756 -32.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 -10.446 -21.403 -31.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 -8.904 -22.112 -30.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 -9.297 -20.829 -29.904 1.00 0.00 H new 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 H HIS A 268 -3.357 -18.474 -31.065 1.00 0.00 H new 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 HD1 HIS A 268 1.057 -16.926 -31.802 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 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 4.272 -22.359 -23.446 1.00 0.00 O ATOM 193 ND2 ASN A 279 2.327 -23.320 -23.789 1.00 0.00 N 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 2.479 -23.309 -24.798 1.00 0.00 H new ATOM 0 HD22 ASN A 279 1.466 -23.712 -23.407 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 ATOM 335 N GLN A 288 -4.521 -10.148 -27.720 1.00 0.00 N ATOM 336 CA GLN A 288 -3.267 -9.405 -27.617 1.00 0.00 C ATOM 337 C GLN A 288 -3.333 -8.124 -28.432 1.00 0.00 C ATOM 338 O GLN A 288 -3.519 -7.038 -27.884 1.00 0.00 O ATOM 339 CB GLN A 288 -2.101 -10.254 -28.126 1.00 0.00 C ATOM 340 CG GLN A 288 -1.823 -11.386 -27.143 1.00 0.00 C ATOM 341 CD GLN A 288 -0.681 -12.253 -27.662 1.00 0.00 C ATOM 342 OE1 GLN A 288 -0.522 -12.411 -28.872 1.00 0.00 O ATOM 343 NE2 GLN A 288 0.131 -12.820 -26.814 1.00 0.00 N ATOM 0 H GLN A 288 -4.418 -11.163 -27.737 1.00 0.00 H new ATOM 0 HA GLN A 288 -3.111 -9.158 -26.567 1.00 0.00 H new ATOM 0 HB2 GLN A 288 -2.337 -10.662 -29.109 1.00 0.00 H new ATOM 0 HB3 GLN A 288 -1.212 -9.635 -28.244 1.00 0.00 H new ATOM 0 HG2 GLN A 288 -1.566 -10.976 -26.166 1.00 0.00 H new ATOM 0 HG3 GLN A 288 -2.719 -11.992 -27.009 1.00 0.00 H new ATOM 0 HE21 GLN A 288 -0.004 -12.687 -25.812 1.00 0.00 H new ATOM 0 HE22 GLN A 288 0.901 -13.397 -27.153 1.00 0.00 H new ATOM 352 N SER A 289 -3.193 -8.263 -29.745 1.00 0.00 N ATOM 353 CA SER A 289 -3.244 -7.114 -30.639 1.00 0.00 C ATOM 354 C SER A 289 -2.447 -5.940 -30.074 1.00 0.00 C ATOM 355 O SER A 289 -2.541 -4.819 -30.573 1.00 0.00 O ATOM 356 CB SER A 289 -4.699 -6.697 -30.831 1.00 0.00 C ATOM 357 OG SER A 289 -4.765 -5.629 -31.768 1.00 0.00 O ATOM 0 H SER A 289 -3.044 -9.157 -30.213 1.00 0.00 H new ATOM 0 HA SER A 289 -2.802 -7.396 -31.595 1.00 0.00 H new ATOM 0 HB2 SER A 289 -5.288 -7.543 -31.186 1.00 0.00 H new ATOM 0 HB3 SER A 289 -5.129 -6.387 -29.878 1.00 0.00 H new ATOM 0 HG SER A 289 -3.989 -5.042 -31.650 1.00 0.00 H new ATOM 363 N LYS A 290 -1.669 -6.201 -29.027 1.00 0.00 N ATOM 364 CA LYS A 290 -0.866 -5.155 -28.399 1.00 0.00 C ATOM 365 C LYS A 290 0.543 -5.648 -28.111 1.00 0.00 C ATOM 366 O LYS A 290 0.728 -6.712 -27.522 1.00 0.00 O ATOM 367 CB LYS A 290 -1.509 -4.736 -27.081 1.00 0.00 C ATOM 368 CG LYS A 290 -2.853 -4.058 -27.349 1.00 0.00 C ATOM 369 CD LYS A 290 -3.478 -3.636 -26.019 1.00 0.00 C ATOM 370 CE LYS A 290 -4.866 -3.044 -26.270 1.00 0.00 C ATOM 371 NZ LYS A 290 -5.705 -4.035 -27.001 1.00 0.00 N ATOM 0 H LYS A 290 -1.577 -7.122 -28.597 1.00 0.00 H new ATOM 0 HA LYS A 290 -0.817 -4.311 -29.087 1.00 0.00 H new ATOM 0 HB2 LYS A 290 -1.653 -5.608 -26.443 1.00 0.00 H new ATOM 0 HB3 LYS A 290 -0.849 -4.054 -26.545 1.00 0.00 H new ATOM 0 HG2 LYS A 290 -2.713 -3.188 -27.991 1.00 0.00 H new ATOM 0 HG3 LYS A 290 -3.519 -4.740 -27.877 1.00 0.00 H new ATOM 0 HD2 LYS A 290 -3.553 -4.495 -25.352 1.00 0.00 H new ATOM 0 HD3 LYS A 290 -2.843 -2.902 -25.523 1.00 0.00 H new ATOM 0 HE2 LYS A 290 -5.337 -2.781 -25.323 1.00 0.00 H new ATOM 0 HE3 LYS A 290 -4.781 -2.125 -26.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 -6.710 -3.847 -26.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 -5.525 -3.956 -28.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 -5.466 -4.995 -26.681 1.00 0.00 H new ATOM 385 N CYS A 291 1.534 -4.860 -28.497 1.00 0.00 N ATOM 386 CA CYS A 291 2.915 -5.227 -28.235 1.00 0.00 C ATOM 387 C CYS A 291 3.210 -5.056 -26.749 1.00 0.00 C ATOM 388 O CYS A 291 4.014 -5.789 -26.173 1.00 0.00 O ATOM 389 CB CYS A 291 3.860 -4.345 -29.054 1.00 0.00 C ATOM 390 SG CYS A 291 3.587 -4.646 -30.818 1.00 0.00 S ATOM 0 H CYS A 291 1.410 -3.974 -28.986 1.00 0.00 H new ATOM 0 HA CYS A 291 3.069 -6.267 -28.521 1.00 0.00 H new ATOM 0 HB2 CYS A 291 3.687 -3.294 -28.822 1.00 0.00 H new ATOM 0 HB3 CYS A 291 4.896 -4.562 -28.793 1.00 0.00 H new ATOM 0 HG CYS A 291 4.388 -3.896 -31.515 1.00 0.00 H new ATOM 396 N GLY A 292 2.549 -4.073 -26.138 1.00 0.00 N ATOM 397 CA GLY A 292 2.739 -3.795 -24.720 1.00 0.00 C ATOM 398 C GLY A 292 2.221 -4.934 -23.840 1.00 0.00 C ATOM 399 O GLY A 292 2.915 -5.401 -22.939 1.00 0.00 O ATOM 0 H GLY A 292 1.880 -3.459 -26.603 1.00 0.00 H new ATOM 0 HA2 GLY A 292 3.799 -3.635 -24.520 1.00 0.00 H new ATOM 0 HA3 GLY A 292 2.223 -2.871 -24.459 1.00 0.00 H new ATOM 403 N SER A 293 0.991 -5.370 -24.103 1.00 0.00 N ATOM 404 CA SER A 293 0.385 -6.449 -23.323 1.00 0.00 C ATOM 405 C SER A 293 0.780 -7.810 -23.881 1.00 0.00 C ATOM 406 O SER A 293 0.134 -8.818 -23.600 1.00 0.00 O ATOM 407 CB SER A 293 -1.137 -6.316 -23.326 1.00 0.00 C ATOM 408 OG SER A 293 -1.504 -5.090 -22.706 1.00 0.00 O ATOM 0 H SER A 293 0.398 -4.997 -24.844 1.00 0.00 H new ATOM 0 HA SER A 293 0.751 -6.371 -22.299 1.00 0.00 H new ATOM 0 HB2 SER A 293 -1.514 -6.347 -24.348 1.00 0.00 H new ATOM 0 HB3 SER A 293 -1.588 -7.154 -22.795 1.00 0.00 H new ATOM 0 HG SER A 293 -2.480 -5.002 -22.708 1.00 0.00 H new ATOM 414 N LYS A 294 1.841 -7.832 -24.678 1.00 0.00 N ATOM 415 CA LYS A 294 2.317 -9.072 -25.276 1.00 0.00 C ATOM 416 C LYS A 294 3.816 -9.206 -25.054 1.00 0.00 C ATOM 417 O LYS A 294 4.259 -9.940 -24.172 1.00 0.00 O ATOM 418 CB LYS A 294 2.002 -9.077 -26.771 1.00 0.00 C ATOM 419 CG LYS A 294 2.391 -10.425 -27.376 1.00 0.00 C ATOM 420 CD LYS A 294 2.041 -10.424 -28.865 1.00 0.00 C ATOM 421 CE LYS A 294 2.344 -11.797 -29.465 1.00 0.00 C ATOM 422 NZ LYS A 294 1.973 -11.799 -30.909 1.00 0.00 N ATOM 0 H LYS A 294 2.387 -7.007 -24.925 1.00 0.00 H new ATOM 0 HA LYS A 294 1.814 -9.917 -24.807 1.00 0.00 H new ATOM 0 HB2 LYS A 294 0.940 -8.890 -26.929 1.00 0.00 H new ATOM 0 HB3 LYS A 294 2.545 -8.274 -27.269 1.00 0.00 H new ATOM 0 HG2 LYS A 294 3.458 -10.604 -27.240 1.00 0.00 H new ATOM 0 HG3 LYS A 294 1.865 -11.232 -26.866 1.00 0.00 H new ATOM 0 HD2 LYS A 294 0.987 -10.181 -29.001 1.00 0.00 H new ATOM 0 HD3 LYS A 294 2.614 -9.655 -29.383 1.00 0.00 H new ATOM 0 HE2 LYS A 294 3.402 -12.031 -29.350 1.00 0.00 H new ATOM 0 HE3 LYS A 294 1.787 -12.569 -28.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 2.178 -12.732 -31.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 0.958 -11.594 -31.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 2.523 -11.072 -31.410 1.00 0.00 H new ATOM 436 N ASP A 295 4.592 -8.479 -25.849 1.00 0.00 N ATOM 437 CA ASP A 295 6.038 -8.520 -25.709 1.00 0.00 C ATOM 438 C ASP A 295 6.448 -7.998 -24.336 1.00 0.00 C ATOM 439 O ASP A 295 7.305 -8.582 -23.672 1.00 0.00 O ATOM 440 CB ASP A 295 6.694 -7.669 -26.799 1.00 0.00 C ATOM 441 CG ASP A 295 6.454 -8.298 -28.167 1.00 0.00 C ATOM 442 OD1 ASP A 295 6.026 -9.441 -28.205 1.00 0.00 O ATOM 443 OD2 ASP A 295 6.702 -7.630 -29.157 1.00 0.00 O ATOM 0 H ASP A 295 4.249 -7.863 -26.586 1.00 0.00 H new ATOM 0 HA ASP A 295 6.370 -9.553 -25.811 1.00 0.00 H new ATOM 0 HB2 ASP A 295 6.286 -6.658 -26.778 1.00 0.00 H new ATOM 0 HB3 ASP A 295 7.764 -7.585 -26.611 1.00 0.00 H new ATOM 448 N ASN A 296 5.826 -6.898 -23.908 1.00 0.00 N ATOM 449 CA ASN A 296 6.138 -6.321 -22.604 1.00 0.00 C ATOM 450 C ASN A 296 5.198 -6.862 -21.533 1.00 0.00 C ATOM 451 O ASN A 296 5.278 -6.463 -20.375 1.00 0.00 O ATOM 452 CB ASN A 296 6.034 -4.797 -22.654 1.00 0.00 C ATOM 453 CG ASN A 296 6.979 -4.244 -23.715 1.00 0.00 C ATOM 454 OD1 ASN A 296 7.941 -4.910 -24.099 1.00 0.00 O ATOM 455 ND2 ASN A 296 6.760 -3.060 -24.218 1.00 0.00 N ATOM 0 H ASN A 296 5.113 -6.396 -24.438 1.00 0.00 H new ATOM 0 HA ASN A 296 7.160 -6.602 -22.350 1.00 0.00 H new ATOM 0 HB2 ASN A 296 5.009 -4.501 -22.879 1.00 0.00 H new ATOM 0 HB3 ASN A 296 6.281 -4.375 -21.680 1.00 0.00 H new ATOM 0 HD21 ASN A 296 7.386 -2.685 -24.930 1.00 0.00 H new ATOM 0 HD22 ASN A 296 5.963 -2.510 -23.899 1.00 0.00 H new ATOM 462 N ILE A 297 4.307 -7.767 -21.924 1.00 0.00 N ATOM 463 CA ILE A 297 3.355 -8.349 -20.981 1.00 0.00 C ATOM 464 C ILE A 297 4.117 -8.896 -19.770 1.00 0.00 C ATOM 465 O ILE A 297 3.555 -9.100 -18.696 1.00 0.00 O ATOM 466 CB ILE A 297 2.553 -9.458 -21.702 1.00 0.00 C ATOM 467 CG1 ILE A 297 1.085 -9.464 -21.237 1.00 0.00 C ATOM 468 CG2 ILE A 297 3.175 -10.837 -21.462 1.00 0.00 C ATOM 469 CD1 ILE A 297 0.967 -9.827 -19.750 1.00 0.00 C ATOM 0 H ILE A 297 4.223 -8.112 -22.880 1.00 0.00 H new ATOM 0 HA ILE A 297 2.652 -7.596 -20.623 1.00 0.00 H new ATOM 0 HB ILE A 297 2.586 -9.242 -22.770 1.00 0.00 H new ATOM 0 HG12 ILE A 297 0.644 -8.482 -21.409 1.00 0.00 H new ATOM 0 HG13 ILE A 297 0.516 -10.178 -21.833 1.00 0.00 H new ATOM 0 HG21 ILE A 297 2.589 -11.596 -21.981 1.00 0.00 H new ATOM 0 HG22 ILE A 297 4.197 -10.846 -21.840 1.00 0.00 H new ATOM 0 HG23 ILE A 297 3.182 -11.052 -20.393 1.00 0.00 H new ATOM 0 HD11 ILE A 297 -0.083 -9.822 -19.456 1.00 0.00 H new ATOM 0 HD12 ILE A 297 1.385 -10.820 -19.584 1.00 0.00 H new ATOM 0 HD13 ILE A 297 1.515 -9.098 -19.153 1.00 0.00 H new ATOM 481 N LYS A 298 5.410 -9.122 -19.967 1.00 0.00 N ATOM 482 CA LYS A 298 6.274 -9.641 -18.911 1.00 0.00 C ATOM 483 C LYS A 298 6.758 -8.517 -17.995 1.00 0.00 C ATOM 484 O LYS A 298 7.530 -8.747 -17.066 1.00 0.00 O ATOM 485 CB LYS A 298 7.474 -10.338 -19.551 1.00 0.00 C ATOM 486 CG LYS A 298 6.989 -11.226 -20.705 1.00 0.00 C ATOM 487 CD LYS A 298 6.052 -12.311 -20.167 1.00 0.00 C ATOM 488 CE LYS A 298 5.806 -13.359 -21.255 1.00 0.00 C ATOM 489 NZ LYS A 298 5.380 -12.683 -22.513 1.00 0.00 N ATOM 0 H LYS A 298 5.887 -8.953 -20.853 1.00 0.00 H new ATOM 0 HA LYS A 298 5.706 -10.348 -18.306 1.00 0.00 H new ATOM 0 HB2 LYS A 298 8.184 -9.598 -19.920 1.00 0.00 H new ATOM 0 HB3 LYS A 298 7.998 -10.940 -18.809 1.00 0.00 H new ATOM 0 HG2 LYS A 298 6.470 -10.621 -21.448 1.00 0.00 H new ATOM 0 HG3 LYS A 298 7.841 -11.685 -21.206 1.00 0.00 H new ATOM 0 HD2 LYS A 298 6.490 -12.781 -19.287 1.00 0.00 H new ATOM 0 HD3 LYS A 298 5.107 -11.868 -19.854 1.00 0.00 H new ATOM 0 HE2 LYS A 298 6.714 -13.936 -21.430 1.00 0.00 H new ATOM 0 HE3 LYS A 298 5.039 -14.062 -20.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 5.955 -13.031 -23.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 4.377 -12.889 -22.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 5.510 -11.656 -22.416 1.00 0.00 H new ATOM 503 N HIS A 299 6.303 -7.301 -18.275 1.00 0.00 N ATOM 504 CA HIS A 299 6.690 -6.132 -17.489 1.00 0.00 C ATOM 505 C HIS A 299 6.407 -6.348 -15.999 1.00 0.00 C ATOM 506 O HIS A 299 6.936 -7.280 -15.393 1.00 0.00 O ATOM 507 CB HIS A 299 5.922 -4.915 -18.000 1.00 0.00 C ATOM 508 CG HIS A 299 4.504 -5.332 -18.242 1.00 0.00 C ATOM 509 ND1 HIS A 299 4.028 -6.555 -17.805 1.00 0.00 N ATOM 510 CD2 HIS A 299 3.455 -4.729 -18.890 1.00 0.00 C ATOM 511 CE1 HIS A 299 2.749 -6.654 -18.190 1.00 0.00 C ATOM 512 NE2 HIS A 299 2.344 -5.568 -18.857 1.00 0.00 N ATOM 0 H HIS A 299 5.663 -7.097 -19.043 1.00 0.00 H new ATOM 0 HA HIS A 299 7.762 -5.970 -17.601 1.00 0.00 H new ATOM 0 HB2 HIS A 299 5.962 -4.105 -17.271 1.00 0.00 H new ATOM 0 HB3 HIS A 299 6.371 -4.539 -18.919 1.00 0.00 H new ATOM 0 HD2 HIS A 299 3.486 -3.754 -19.354 1.00 0.00 H new ATOM 0 HE1 HIS A 299 2.120 -7.508 -17.986 1.00 0.00 H new ATOM 0 HE2 HIS A 299 1.422 -5.392 -19.255 1.00 0.00 H new ATOM 521 N VAL A 300 5.584 -5.477 -15.408 1.00 0.00 N ATOM 522 CA VAL A 300 5.261 -5.586 -13.988 1.00 0.00 C ATOM 523 C VAL A 300 4.218 -4.539 -13.580 1.00 0.00 C ATOM 524 O VAL A 300 4.243 -4.048 -12.453 1.00 0.00 O ATOM 525 CB VAL A 300 6.538 -5.385 -13.165 1.00 0.00 C ATOM 526 CG1 VAL A 300 6.852 -3.888 -13.018 1.00 0.00 C ATOM 527 CG2 VAL A 300 6.346 -6.016 -11.785 1.00 0.00 C ATOM 0 H VAL A 300 5.135 -4.697 -15.888 1.00 0.00 H new ATOM 0 HA VAL A 300 4.844 -6.575 -13.800 1.00 0.00 H new ATOM 0 HB VAL A 300 7.374 -5.862 -13.676 1.00 0.00 H new ATOM 0 HG11 VAL A 300 7.762 -3.763 -12.431 1.00 0.00 H new ATOM 0 HG12 VAL A 300 6.994 -3.447 -14.005 1.00 0.00 H new ATOM 0 HG13 VAL A 300 6.024 -3.390 -12.514 1.00 0.00 H new ATOM 0 HG21 VAL A 300 7.250 -5.877 -11.193 1.00 0.00 H new ATOM 0 HG22 VAL A 300 5.505 -5.539 -11.281 1.00 0.00 H new ATOM 0 HG23 VAL A 300 6.145 -7.081 -11.897 1.00 0.00 H new ATOM 537 N PRO A 301 3.327 -4.181 -14.476 1.00 0.00 N ATOM 538 CA PRO A 301 2.292 -3.157 -14.200 1.00 0.00 C ATOM 539 C PRO A 301 2.620 -2.251 -13.018 1.00 0.00 C ATOM 540 O PRO A 301 3.625 -1.539 -13.047 1.00 0.00 O ATOM 541 CB PRO A 301 1.061 -4.012 -13.958 1.00 0.00 C ATOM 542 CG PRO A 301 1.210 -5.148 -14.928 1.00 0.00 C ATOM 543 CD PRO A 301 2.701 -5.221 -15.311 1.00 0.00 C ATOM 0 HA PRO A 301 2.180 -2.440 -15.013 1.00 0.00 H new ATOM 0 HB2 PRO A 301 1.019 -4.369 -12.929 1.00 0.00 H new ATOM 0 HB3 PRO A 301 0.144 -3.451 -14.138 1.00 0.00 H new ATOM 0 HG2 PRO A 301 0.881 -6.085 -14.478 1.00 0.00 H new ATOM 0 HG3 PRO A 301 0.593 -4.984 -15.811 1.00 0.00 H new ATOM 0 HD2 PRO A 301 3.120 -6.206 -15.105 1.00 0.00 H new ATOM 0 HD3 PRO A 301 2.852 -5.027 -16.373 1.00 0.00 H new ATOM 551 N GLY A 302 1.769 -2.242 -11.994 1.00 0.00 N ATOM 552 CA GLY A 302 2.015 -1.367 -10.851 1.00 0.00 C ATOM 553 C GLY A 302 2.431 -0.001 -11.376 1.00 0.00 C ATOM 554 O GLY A 302 3.083 0.789 -10.692 1.00 0.00 O ATOM 0 H GLY A 302 0.926 -2.813 -11.931 1.00 0.00 H new ATOM 0 HA2 GLY A 302 1.118 -1.281 -10.238 1.00 0.00 H new ATOM 0 HA3 GLY A 302 2.796 -1.783 -10.215 1.00 0.00 H new ATOM 558 N GLY A 303 2.056 0.233 -12.628 1.00 0.00 N ATOM 559 CA GLY A 303 2.375 1.460 -13.335 1.00 0.00 C ATOM 560 C GLY A 303 2.464 1.149 -14.824 1.00 0.00 C ATOM 561 O GLY A 303 2.048 1.941 -15.669 1.00 0.00 O ATOM 0 H GLY A 303 1.517 -0.432 -13.183 1.00 0.00 H new ATOM 0 HA2 GLY A 303 1.610 2.214 -13.150 1.00 0.00 H new ATOM 0 HA3 GLY A 303 3.319 1.870 -12.976 1.00 0.00 H new ATOM 565 N GLY A 304 2.994 -0.038 -15.127 1.00 0.00 N ATOM 566 CA GLY A 304 3.121 -0.492 -16.507 1.00 0.00 C ATOM 567 C GLY A 304 1.744 -0.645 -17.143 1.00 0.00 C ATOM 568 O GLY A 304 1.553 -0.349 -18.322 1.00 0.00 O ATOM 0 H GLY A 304 3.341 -0.700 -14.433 1.00 0.00 H new ATOM 0 HA2 GLY A 304 3.716 0.221 -17.078 1.00 0.00 H new ATOM 0 HA3 GLY A 304 3.650 -1.444 -16.536 1.00 0.00 H new ATOM 572 N SER A 305 0.792 -1.112 -16.336 1.00 0.00 N ATOM 573 CA SER A 305 -0.582 -1.321 -16.782 1.00 0.00 C ATOM 574 C SER A 305 -1.363 -2.048 -15.690 1.00 0.00 C ATOM 575 O SER A 305 -1.392 -1.608 -14.541 1.00 0.00 O ATOM 576 CB SER A 305 -0.609 -2.148 -18.072 1.00 0.00 C ATOM 577 OG SER A 305 -1.939 -2.578 -18.328 1.00 0.00 O ATOM 0 H SER A 305 0.952 -1.355 -15.358 1.00 0.00 H new ATOM 0 HA SER A 305 -1.040 -0.352 -16.981 1.00 0.00 H new ATOM 0 HB2 SER A 305 -0.240 -1.552 -18.907 1.00 0.00 H new ATOM 0 HB3 SER A 305 0.052 -3.010 -17.979 1.00 0.00 H new ATOM 0 HG SER A 305 -1.990 -2.966 -19.227 1.00 0.00 H new ATOM 583 N VAL A 306 -1.979 -3.170 -16.051 1.00 0.00 N ATOM 584 CA VAL A 306 -2.745 -3.961 -15.092 1.00 0.00 C ATOM 585 C VAL A 306 -2.951 -5.377 -15.622 1.00 0.00 C ATOM 586 O VAL A 306 -4.084 -5.804 -15.843 1.00 0.00 O ATOM 587 CB VAL A 306 -4.111 -3.313 -14.842 1.00 0.00 C ATOM 588 CG1 VAL A 306 -3.944 -2.034 -14.015 1.00 0.00 C ATOM 589 CG2 VAL A 306 -4.761 -2.966 -16.183 1.00 0.00 C ATOM 0 H VAL A 306 -1.963 -3.551 -16.997 1.00 0.00 H new ATOM 0 HA VAL A 306 -2.187 -4.002 -14.157 1.00 0.00 H new ATOM 0 HB VAL A 306 -4.742 -4.013 -14.294 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -4.921 -1.582 -13.843 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -3.483 -2.277 -13.058 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -3.309 -1.332 -14.555 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -5.733 -2.505 -16.008 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -4.122 -2.271 -16.728 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -4.891 -3.875 -16.770 1.00 0.00 H new ATOM 599 N GLN A 307 -1.852 -6.102 -15.834 1.00 0.00 N ATOM 600 CA GLN A 307 -1.940 -7.470 -16.350 1.00 0.00 C ATOM 601 C GLN A 307 -1.541 -8.483 -15.280 1.00 0.00 C ATOM 602 O GLN A 307 -2.233 -8.646 -14.276 1.00 0.00 O ATOM 603 CB GLN A 307 -1.027 -7.621 -17.567 1.00 0.00 C ATOM 604 CG GLN A 307 -1.342 -6.517 -18.577 1.00 0.00 C ATOM 605 CD GLN A 307 -2.811 -6.580 -18.979 1.00 0.00 C ATOM 606 OE1 GLN A 307 -3.309 -7.643 -19.350 1.00 0.00 O ATOM 607 NE2 GLN A 307 -3.538 -5.497 -18.927 1.00 0.00 N ATOM 0 H GLN A 307 -0.903 -5.772 -15.660 1.00 0.00 H new ATOM 0 HA GLN A 307 -2.973 -7.663 -16.639 1.00 0.00 H new ATOM 0 HB2 GLN A 307 0.018 -7.563 -17.261 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -1.171 -8.600 -18.024 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -1.117 -5.542 -18.144 1.00 0.00 H new ATOM 0 HG3 GLN A 307 -0.710 -6.628 -19.458 1.00 0.00 H new ATOM 0 HE21 GLN A 307 -3.122 -4.618 -18.619 1.00 0.00 H new ATOM 0 HE22 GLN A 307 -4.522 -5.530 -19.194 1.00 0.00 H new ATOM 616 N ILE A 308 -0.419 -9.156 -15.505 1.00 0.00 N ATOM 617 CA ILE A 308 0.068 -10.150 -14.554 1.00 0.00 C ATOM 618 C ILE A 308 0.314 -9.480 -13.201 1.00 0.00 C ATOM 619 O ILE A 308 0.142 -10.092 -12.147 1.00 0.00 O ATOM 620 CB ILE A 308 1.362 -10.810 -15.082 1.00 0.00 C ATOM 621 CG1 ILE A 308 1.998 -9.942 -16.173 1.00 0.00 C ATOM 622 CG2 ILE A 308 1.044 -12.186 -15.676 1.00 0.00 C ATOM 623 CD1 ILE A 308 2.409 -8.591 -15.588 1.00 0.00 C ATOM 0 H ILE A 308 0.167 -9.034 -16.331 1.00 0.00 H new ATOM 0 HA ILE A 308 -0.682 -10.931 -14.431 1.00 0.00 H new ATOM 0 HB ILE A 308 2.055 -10.915 -14.247 1.00 0.00 H new ATOM 0 HG12 ILE A 308 2.869 -10.447 -16.591 1.00 0.00 H new ATOM 0 HG13 ILE A 308 1.292 -9.795 -16.991 1.00 0.00 H new ATOM 0 HG21 ILE A 308 1.962 -12.644 -16.046 1.00 0.00 H new ATOM 0 HG22 ILE A 308 0.606 -12.822 -14.907 1.00 0.00 H new ATOM 0 HG23 ILE A 308 0.338 -12.073 -16.499 1.00 0.00 H new ATOM 0 HD11 ILE A 308 2.860 -7.979 -16.369 1.00 0.00 H new ATOM 0 HD12 ILE A 308 1.530 -8.083 -15.192 1.00 0.00 H new ATOM 0 HD13 ILE A 308 3.131 -8.746 -14.786 1.00 0.00 H new ATOM 635 N VAL A 309 0.689 -8.208 -13.251 1.00 0.00 N ATOM 636 CA VAL A 309 0.933 -7.424 -12.043 1.00 0.00 C ATOM 637 C VAL A 309 1.787 -8.178 -11.025 1.00 0.00 C ATOM 638 O VAL A 309 1.488 -8.176 -9.832 1.00 0.00 O ATOM 639 CB VAL A 309 -0.402 -7.033 -11.400 1.00 0.00 C ATOM 640 CG1 VAL A 309 -0.155 -6.085 -10.213 1.00 0.00 C ATOM 641 CG2 VAL A 309 -1.285 -6.331 -12.440 1.00 0.00 C ATOM 0 H VAL A 309 0.832 -7.693 -14.120 1.00 0.00 H new ATOM 0 HA VAL A 309 1.484 -6.532 -12.341 1.00 0.00 H new ATOM 0 HB VAL A 309 -0.903 -7.932 -11.042 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -1.109 -5.812 -9.761 1.00 0.00 H new ATOM 0 HG12 VAL A 309 0.468 -6.585 -9.471 1.00 0.00 H new ATOM 0 HG13 VAL A 309 0.351 -5.186 -10.565 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -2.235 -6.053 -11.983 1.00 0.00 H new ATOM 0 HG22 VAL A 309 -0.780 -5.435 -12.801 1.00 0.00 H new ATOM 0 HG23 VAL A 309 -1.469 -7.006 -13.276 1.00 0.00 H new ATOM 651 N TYR A 310 2.866 -8.794 -11.491 1.00 0.00 N ATOM 652 CA TYR A 310 3.764 -9.513 -10.592 1.00 0.00 C ATOM 653 C TYR A 310 4.981 -10.027 -11.359 1.00 0.00 C ATOM 654 O TYR A 310 5.522 -11.088 -11.055 1.00 0.00 O ATOM 655 CB TYR A 310 3.011 -10.657 -9.872 1.00 0.00 C ATOM 656 CG TYR A 310 3.232 -11.991 -10.556 1.00 0.00 C ATOM 657 CD1 TYR A 310 2.545 -12.300 -11.732 1.00 0.00 C ATOM 658 CD2 TYR A 310 4.121 -12.923 -10.002 1.00 0.00 C ATOM 659 CE1 TYR A 310 2.742 -13.536 -12.358 1.00 0.00 C ATOM 660 CE2 TYR A 310 4.321 -14.159 -10.628 1.00 0.00 C ATOM 661 CZ TYR A 310 3.631 -14.466 -11.806 1.00 0.00 C ATOM 662 OH TYR A 310 3.826 -15.685 -12.422 1.00 0.00 O ATOM 0 H TYR A 310 3.140 -8.812 -12.473 1.00 0.00 H new ATOM 0 HA TYR A 310 4.123 -8.827 -9.825 1.00 0.00 H new ATOM 0 HB2 TYR A 310 3.347 -10.719 -8.837 1.00 0.00 H new ATOM 0 HB3 TYR A 310 1.945 -10.432 -9.848 1.00 0.00 H new ATOM 0 HD1 TYR A 310 1.860 -11.583 -12.160 1.00 0.00 H new ATOM 0 HD2 TYR A 310 4.652 -12.687 -9.092 1.00 0.00 H new ATOM 0 HE1 TYR A 310 2.208 -13.772 -13.267 1.00 0.00 H new ATOM 0 HE2 TYR A 310 5.008 -14.875 -10.202 1.00 0.00 H new ATOM 0 HH TYR A 310 4.475 -16.210 -11.909 1.00 0.00 H new ATOM 672 N LYS A 311 5.410 -9.251 -12.358 1.00 0.00 N ATOM 673 CA LYS A 311 6.565 -9.625 -13.168 1.00 0.00 C ATOM 674 C LYS A 311 6.618 -11.149 -13.339 1.00 0.00 C ATOM 675 O LYS A 311 7.379 -11.823 -12.645 1.00 0.00 O ATOM 676 CB LYS A 311 7.865 -9.131 -12.519 1.00 0.00 C ATOM 677 CG LYS A 311 7.807 -9.311 -10.999 1.00 0.00 C ATOM 678 CD LYS A 311 9.130 -8.852 -10.383 1.00 0.00 C ATOM 679 CE LYS A 311 9.015 -8.859 -8.858 1.00 0.00 C ATOM 680 NZ LYS A 311 7.915 -7.944 -8.437 1.00 0.00 N ATOM 0 H LYS A 311 4.976 -8.366 -12.622 1.00 0.00 H new ATOM 0 HA LYS A 311 6.463 -9.156 -14.147 1.00 0.00 H new ATOM 0 HB2 LYS A 311 8.713 -9.682 -12.924 1.00 0.00 H new ATOM 0 HB3 LYS A 311 8.023 -8.080 -12.761 1.00 0.00 H new ATOM 0 HG2 LYS A 311 6.980 -8.734 -10.585 1.00 0.00 H new ATOM 0 HG3 LYS A 311 7.621 -10.356 -10.752 1.00 0.00 H new ATOM 0 HD2 LYS A 311 9.938 -9.511 -10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 311 9.379 -7.851 -10.735 1.00 0.00 H new ATOM 0 HE2 LYS A 311 8.817 -9.870 -8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 311 9.957 -8.542 -8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 8.063 -7.655 -7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 7.911 -7.102 -9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 7.003 -8.436 -8.521 1.00 0.00 H new ATOM 694 N PRO A 312 5.808 -11.706 -14.212 1.00 0.00 N ATOM 695 CA PRO A 312 5.770 -13.184 -14.403 1.00 0.00 C ATOM 696 C PRO A 312 7.163 -13.782 -14.584 1.00 0.00 C ATOM 697 O PRO A 312 7.685 -14.319 -13.620 1.00 0.00 O ATOM 698 CB PRO A 312 4.937 -13.332 -15.669 1.00 0.00 C ATOM 699 CG PRO A 312 5.331 -12.167 -16.500 1.00 0.00 C ATOM 700 CD PRO A 312 5.674 -11.035 -15.526 1.00 0.00 C ATOM 701 OXT PRO A 312 7.686 -13.694 -15.682 1.00 0.00 O ATOM 0 HA PRO A 312 5.360 -13.711 -13.541 1.00 0.00 H new ATOM 0 HB2 PRO A 312 5.147 -14.273 -16.177 1.00 0.00 H new ATOM 0 HB3 PRO A 312 3.870 -13.321 -15.448 1.00 0.00 H new ATOM 0 HG2 PRO A 312 6.187 -12.411 -17.129 1.00 0.00 H new ATOM 0 HG3 PRO A 312 4.520 -11.873 -17.166 1.00 0.00 H new ATOM 0 HD2 PRO A 312 6.598 -10.532 -15.811 1.00 0.00 H new ATOM 0 HD3 PRO A 312 4.891 -10.277 -15.507 1.00 0.00 H new TER 709 PRO A 312