USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=9 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 269 GLN : amide:sc= -1.44! K(o=-1.6!,f=-0.78) USER MOD Set 1.2: A 285 SER OG : rot 180:sc= -0.16 USER MOD Single : A 267 LYS NZ :NH3+ -165:sc= -0.0107 (180deg=-0.253) USER MOD Single : A 268 HIS : no HD1:sc= -0.718 X(o=-0.72,f=-0.98) 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= -9.35! K(o=-9.3!,f=-1.7) USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 ASN : amide:sc= -6.59! C(o=-6.6!,f=-5.4!) USER MOD Single : A 288 GLN : amide:sc= -3.08! C(o=-3.1!,f=-15!) USER MOD Single : A 289 SER OG : rot 180:sc= 0 USER MOD Single : A 290 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 291 CYS SG : rot 180:sc= 0.00844 USER MOD Single : A 293 SER OG : rot 180:sc= 0.0434 USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 296 ASN : amide:sc=-0.00155 K(o=-0.0015,f=-1.3) USER MOD Single : A 298 LYS NZ :NH3+ -129:sc= -2.29 (180deg=-5.2!) USER MOD Single : A 299 HIS : no HE2:sc= -18.5! C(o=-19!,f=-26!) USER MOD Single : A 305 SER OG : rot 180:sc= -2.15 USER MOD Single : A 307 GLN : amide:sc= -3.62! C(o=-3.6!,f=-5.2!) USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 311 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 267 0.354 -11.956 -36.283 1.00 0.00 N ATOM 2 CA LYS A 267 1.606 -12.308 -35.622 1.00 0.00 C ATOM 3 C LYS A 267 2.731 -11.386 -36.079 1.00 0.00 C ATOM 4 O LYS A 267 3.265 -10.606 -35.292 1.00 0.00 O ATOM 5 CB LYS A 267 1.977 -13.758 -35.937 1.00 0.00 C ATOM 6 CG LYS A 267 0.919 -14.697 -35.354 1.00 0.00 C ATOM 7 CD LYS A 267 1.360 -16.148 -35.559 1.00 0.00 C ATOM 8 CE LYS A 267 0.250 -17.090 -35.089 1.00 0.00 C ATOM 9 NZ LYS A 267 0.092 -16.975 -33.612 1.00 0.00 N ATOM 0 HA LYS A 267 1.469 -12.194 -34.547 1.00 0.00 H new ATOM 0 HB2 LYS A 267 2.049 -13.900 -37.015 1.00 0.00 H new ATOM 0 HB3 LYS A 267 2.956 -13.993 -35.519 1.00 0.00 H new ATOM 0 HG2 LYS A 267 0.782 -14.494 -34.292 1.00 0.00 H new ATOM 0 HG3 LYS A 267 -0.042 -14.525 -35.838 1.00 0.00 H new ATOM 0 HD2 LYS A 267 1.582 -16.327 -36.611 1.00 0.00 H new ATOM 0 HD3 LYS A 267 2.277 -16.343 -35.002 1.00 0.00 H new ATOM 0 HE2 LYS A 267 -0.688 -16.841 -35.586 1.00 0.00 H new ATOM 0 HE3 LYS A 267 0.491 -18.118 -35.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 267 -0.467 -17.778 -33.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 267 1.029 -16.981 -33.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 267 -0.396 -16.086 -33.383 1.00 0.00 H new ATOM 23 N HIS A 268 3.083 -11.479 -37.357 1.00 0.00 N ATOM 24 CA HIS A 268 4.144 -10.646 -37.908 1.00 0.00 C ATOM 25 C HIS A 268 3.694 -9.191 -37.966 1.00 0.00 C ATOM 26 O HIS A 268 2.507 -8.904 -38.120 1.00 0.00 O ATOM 27 CB HIS A 268 4.513 -11.127 -39.312 1.00 0.00 C ATOM 28 CG HIS A 268 5.644 -10.294 -39.849 1.00 0.00 C ATOM 29 ND1 HIS A 268 6.909 -10.313 -39.284 1.00 0.00 N ATOM 30 CD2 HIS A 268 5.716 -9.412 -40.900 1.00 0.00 C ATOM 31 CE1 HIS A 268 7.681 -9.467 -39.989 1.00 0.00 C ATOM 32 NE2 HIS A 268 7.003 -8.892 -40.986 1.00 0.00 N ATOM 0 H HIS A 268 2.653 -12.118 -38.026 1.00 0.00 H new ATOM 0 HA HIS A 268 5.018 -10.723 -37.262 1.00 0.00 H new ATOM 0 HB2 HIS A 268 4.803 -12.177 -39.283 1.00 0.00 H new ATOM 0 HB3 HIS A 268 3.648 -11.053 -39.972 1.00 0.00 H new ATOM 0 HD2 HIS A 268 4.898 -9.161 -41.559 1.00 0.00 H new ATOM 0 HE1 HIS A 268 8.722 -9.276 -39.775 1.00 0.00 H new ATOM 0 HE2 HIS A 268 7.354 -8.216 -41.665 1.00 0.00 H new ATOM 41 N GLN A 269 4.647 -8.275 -37.838 1.00 0.00 N ATOM 42 CA GLN A 269 4.329 -6.854 -37.875 1.00 0.00 C ATOM 43 C GLN A 269 3.740 -6.475 -39.231 1.00 0.00 C ATOM 44 O GLN A 269 4.100 -7.054 -40.256 1.00 0.00 O ATOM 45 CB GLN A 269 5.594 -6.033 -37.620 1.00 0.00 C ATOM 46 CG GLN A 269 6.760 -6.640 -38.402 1.00 0.00 C ATOM 47 CD GLN A 269 7.904 -5.636 -38.496 1.00 0.00 C ATOM 48 OE1 GLN A 269 8.880 -5.870 -39.211 1.00 0.00 O ATOM 49 NE2 GLN A 269 7.843 -4.526 -37.814 1.00 0.00 N ATOM 0 H GLN A 269 5.636 -8.488 -37.709 1.00 0.00 H new ATOM 0 HA GLN A 269 3.594 -6.642 -37.099 1.00 0.00 H new ATOM 0 HB2 GLN A 269 5.437 -4.998 -37.925 1.00 0.00 H new ATOM 0 HB3 GLN A 269 5.824 -6.020 -36.555 1.00 0.00 H new ATOM 0 HG2 GLN A 269 7.104 -7.550 -37.910 1.00 0.00 H new ATOM 0 HG3 GLN A 269 6.430 -6.923 -39.402 1.00 0.00 H new ATOM 0 HE21 GLN A 269 7.034 -4.334 -37.223 1.00 0.00 H new ATOM 0 HE22 GLN A 269 8.604 -3.849 -37.872 1.00 0.00 H new ATOM 58 N PRO A 270 2.849 -5.516 -39.257 1.00 0.00 N ATOM 59 CA PRO A 270 2.215 -5.064 -40.532 1.00 0.00 C ATOM 60 C PRO A 270 3.244 -4.514 -41.517 1.00 0.00 C ATOM 61 O PRO A 270 4.315 -4.056 -41.119 1.00 0.00 O ATOM 62 CB PRO A 270 1.231 -3.972 -40.096 1.00 0.00 C ATOM 63 CG PRO A 270 1.717 -3.499 -38.769 1.00 0.00 C ATOM 64 CD PRO A 270 2.431 -4.680 -38.120 1.00 0.00 C ATOM 0 HA PRO A 270 1.728 -5.885 -41.058 1.00 0.00 H new ATOM 0 HB2 PRO A 270 1.207 -3.156 -40.818 1.00 0.00 H new ATOM 0 HB3 PRO A 270 0.217 -4.365 -40.024 1.00 0.00 H new ATOM 0 HG2 PRO A 270 2.394 -2.652 -38.884 1.00 0.00 H new ATOM 0 HG3 PRO A 270 0.886 -3.161 -38.150 1.00 0.00 H new ATOM 0 HD2 PRO A 270 3.287 -4.353 -37.530 1.00 0.00 H new ATOM 0 HD3 PRO A 270 1.769 -5.225 -37.447 1.00 0.00 H new ATOM 72 N GLY A 271 2.908 -4.557 -42.801 1.00 0.00 N ATOM 73 CA GLY A 271 3.807 -4.054 -43.832 1.00 0.00 C ATOM 74 C GLY A 271 4.247 -2.632 -43.507 1.00 0.00 C ATOM 75 O GLY A 271 5.221 -2.128 -44.067 1.00 0.00 O ATOM 0 H GLY A 271 2.026 -4.932 -43.151 1.00 0.00 H new ATOM 0 HA2 GLY A 271 4.680 -4.702 -43.910 1.00 0.00 H new ATOM 0 HA3 GLY A 271 3.307 -4.074 -44.800 1.00 0.00 H new ATOM 79 N GLY A 272 3.517 -1.990 -42.600 1.00 0.00 N ATOM 80 CA GLY A 272 3.830 -0.622 -42.204 1.00 0.00 C ATOM 81 C GLY A 272 2.920 0.367 -42.923 1.00 0.00 C ATOM 82 O GLY A 272 3.030 1.579 -42.737 1.00 0.00 O ATOM 0 H GLY A 272 2.708 -2.393 -42.127 1.00 0.00 H new ATOM 0 HA2 GLY A 272 3.713 -0.514 -41.126 1.00 0.00 H new ATOM 0 HA3 GLY A 272 4.872 -0.400 -42.435 1.00 0.00 H new ATOM 86 N GLY A 273 2.019 -0.162 -43.744 1.00 0.00 N ATOM 87 CA GLY A 273 1.089 0.678 -44.487 1.00 0.00 C ATOM 88 C GLY A 273 -0.218 -0.063 -44.754 1.00 0.00 C ATOM 89 O GLY A 273 -0.948 0.266 -45.689 1.00 0.00 O ATOM 0 H GLY A 273 1.914 -1.163 -43.911 1.00 0.00 H new ATOM 0 HA2 GLY A 273 0.887 1.590 -43.925 1.00 0.00 H new ATOM 0 HA3 GLY A 273 1.540 0.980 -45.432 1.00 0.00 H new ATOM 93 N LYS A 274 -0.507 -1.065 -43.929 1.00 0.00 N ATOM 94 CA LYS A 274 -1.729 -1.845 -44.095 1.00 0.00 C ATOM 95 C LYS A 274 -2.870 -1.245 -43.278 1.00 0.00 C ATOM 96 O LYS A 274 -3.736 -0.559 -43.820 1.00 0.00 O ATOM 97 CB LYS A 274 -1.489 -3.290 -43.652 1.00 0.00 C ATOM 98 CG LYS A 274 -2.707 -4.144 -44.011 1.00 0.00 C ATOM 99 CD LYS A 274 -2.489 -5.576 -43.518 1.00 0.00 C ATOM 100 CE LYS A 274 -3.633 -6.467 -44.007 1.00 0.00 C ATOM 101 NZ LYS A 274 -3.169 -7.881 -44.070 1.00 0.00 N ATOM 0 H LYS A 274 0.081 -1.354 -43.147 1.00 0.00 H new ATOM 0 HA LYS A 274 -2.006 -1.826 -45.149 1.00 0.00 H new ATOM 0 HB2 LYS A 274 -0.598 -3.687 -44.138 1.00 0.00 H new ATOM 0 HB3 LYS A 274 -1.310 -3.327 -42.577 1.00 0.00 H new ATOM 0 HG2 LYS A 274 -3.605 -3.725 -43.557 1.00 0.00 H new ATOM 0 HG3 LYS A 274 -2.863 -4.139 -45.090 1.00 0.00 H new ATOM 0 HD2 LYS A 274 -1.536 -5.957 -43.885 1.00 0.00 H new ATOM 0 HD3 LYS A 274 -2.441 -5.593 -42.429 1.00 0.00 H new ATOM 0 HE2 LYS A 274 -4.487 -6.383 -43.335 1.00 0.00 H new ATOM 0 HE3 LYS A 274 -3.969 -6.139 -44.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 -3.946 -8.487 -44.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 -2.367 -7.954 -44.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 -2.869 -8.190 -43.123 1.00 0.00 H new ATOM 115 N VAL A 275 -2.863 -1.504 -41.972 1.00 0.00 N ATOM 116 CA VAL A 275 -3.906 -0.982 -41.092 1.00 0.00 C ATOM 117 C VAL A 275 -3.612 -1.341 -39.638 1.00 0.00 C ATOM 118 O VAL A 275 -3.822 -0.534 -38.733 1.00 0.00 O ATOM 119 CB VAL A 275 -5.266 -1.560 -41.488 1.00 0.00 C ATOM 120 CG1 VAL A 275 -5.320 -3.042 -41.115 1.00 0.00 C ATOM 121 CG2 VAL A 275 -6.373 -0.810 -40.744 1.00 0.00 C ATOM 0 H VAL A 275 -2.153 -2.067 -41.503 1.00 0.00 H new ATOM 0 HA VAL A 275 -3.926 0.103 -41.194 1.00 0.00 H new ATOM 0 HB VAL A 275 -5.408 -1.450 -42.563 1.00 0.00 H new ATOM 0 HG11 VAL A 275 -6.289 -3.453 -41.397 1.00 0.00 H new ATOM 0 HG12 VAL A 275 -4.531 -3.579 -41.642 1.00 0.00 H new ATOM 0 HG13 VAL A 275 -5.179 -3.152 -40.040 1.00 0.00 H new ATOM 0 HG21 VAL A 275 -7.343 -1.220 -41.025 1.00 0.00 H new ATOM 0 HG22 VAL A 275 -6.229 -0.922 -39.669 1.00 0.00 H new ATOM 0 HG23 VAL A 275 -6.337 0.247 -41.007 1.00 0.00 H new ATOM 131 N GLN A 276 -3.128 -2.560 -39.424 1.00 0.00 N ATOM 132 CA GLN A 276 -2.811 -3.025 -38.079 1.00 0.00 C ATOM 133 C GLN A 276 -1.630 -2.252 -37.504 1.00 0.00 C ATOM 134 O GLN A 276 -1.099 -2.607 -36.451 1.00 0.00 O ATOM 135 CB GLN A 276 -2.490 -4.520 -38.104 1.00 0.00 C ATOM 136 CG GLN A 276 -3.733 -5.296 -38.544 1.00 0.00 C ATOM 137 CD GLN A 276 -3.429 -6.788 -38.592 1.00 0.00 C ATOM 138 OE1 GLN A 276 -2.270 -7.183 -38.719 1.00 0.00 O ATOM 139 NE2 GLN A 276 -4.407 -7.645 -38.494 1.00 0.00 N ATOM 0 H GLN A 276 -2.947 -3.241 -40.161 1.00 0.00 H new ATOM 0 HA GLN A 276 -3.680 -2.854 -37.443 1.00 0.00 H new ATOM 0 HB2 GLN A 276 -1.664 -4.715 -38.788 1.00 0.00 H new ATOM 0 HB3 GLN A 276 -2.171 -4.852 -37.116 1.00 0.00 H new ATOM 0 HG2 GLN A 276 -4.554 -5.106 -37.852 1.00 0.00 H new ATOM 0 HG3 GLN A 276 -4.058 -4.951 -39.526 1.00 0.00 H new ATOM 0 HE21 GLN A 276 -5.366 -7.314 -38.389 1.00 0.00 H new ATOM 0 HE22 GLN A 276 -4.213 -8.646 -38.522 1.00 0.00 H new ATOM 148 N ILE A 277 -1.222 -1.198 -38.199 1.00 0.00 N ATOM 149 CA ILE A 277 -0.099 -0.387 -37.745 1.00 0.00 C ATOM 150 C ILE A 277 -0.241 -0.044 -36.271 1.00 0.00 C ATOM 151 O ILE A 277 0.732 -0.077 -35.518 1.00 0.00 O ATOM 152 CB ILE A 277 -0.044 0.914 -38.535 1.00 0.00 C ATOM 153 CG1 ILE A 277 0.272 0.615 -40.003 1.00 0.00 C ATOM 154 CG2 ILE A 277 1.039 1.811 -37.940 1.00 0.00 C ATOM 155 CD1 ILE A 277 0.169 1.903 -40.823 1.00 0.00 C ATOM 0 H ILE A 277 -1.647 -0.886 -39.072 1.00 0.00 H new ATOM 0 HA ILE A 277 0.813 -0.964 -37.899 1.00 0.00 H new ATOM 0 HB ILE A 277 -1.008 1.420 -38.480 1.00 0.00 H new ATOM 0 HG12 ILE A 277 1.274 0.195 -40.092 1.00 0.00 H new ATOM 0 HG13 ILE A 277 -0.422 -0.131 -40.390 1.00 0.00 H new ATOM 0 HG21 ILE A 277 1.086 2.745 -38.500 1.00 0.00 H new ATOM 0 HG22 ILE A 277 0.803 2.024 -36.897 1.00 0.00 H new ATOM 0 HG23 ILE A 277 2.003 1.305 -37.998 1.00 0.00 H new ATOM 0 HD11 ILE A 277 0.394 1.688 -41.868 1.00 0.00 H new ATOM 0 HD12 ILE A 277 -0.841 2.304 -40.745 1.00 0.00 H new ATOM 0 HD13 ILE A 277 0.881 2.635 -40.441 1.00 0.00 H new ATOM 167 N ILE A 278 -1.457 0.286 -35.863 1.00 0.00 N ATOM 168 CA ILE A 278 -1.706 0.632 -34.474 1.00 0.00 C ATOM 169 C ILE A 278 -1.169 -0.462 -33.564 1.00 0.00 C ATOM 170 O ILE A 278 -0.682 -0.190 -32.467 1.00 0.00 O ATOM 171 CB ILE A 278 -3.209 0.799 -34.246 1.00 0.00 C ATOM 172 CG1 ILE A 278 -3.961 -0.278 -35.038 1.00 0.00 C ATOM 173 CG2 ILE A 278 -3.648 2.185 -34.723 1.00 0.00 C ATOM 174 CD1 ILE A 278 -5.311 -0.557 -34.374 1.00 0.00 C ATOM 0 H ILE A 278 -2.278 0.321 -36.467 1.00 0.00 H new ATOM 0 HA ILE A 278 -1.200 1.569 -34.244 1.00 0.00 H new ATOM 0 HB ILE A 278 -3.432 0.696 -33.184 1.00 0.00 H new ATOM 0 HG12 ILE A 278 -4.112 0.051 -36.066 1.00 0.00 H new ATOM 0 HG13 ILE A 278 -3.369 -1.192 -35.080 1.00 0.00 H new ATOM 0 HG21 ILE A 278 -4.719 2.303 -34.560 1.00 0.00 H new ATOM 0 HG22 ILE A 278 -3.109 2.950 -34.164 1.00 0.00 H new ATOM 0 HG23 ILE A 278 -3.429 2.291 -35.785 1.00 0.00 H new ATOM 0 HD11 ILE A 278 -5.843 -1.323 -34.939 1.00 0.00 H new ATOM 0 HD12 ILE A 278 -5.150 -0.905 -33.354 1.00 0.00 H new ATOM 0 HD13 ILE A 278 -5.903 0.358 -34.356 1.00 0.00 H new ATOM 186 N ASN A 279 -1.269 -1.701 -34.029 1.00 0.00 N ATOM 187 CA ASN A 279 -0.797 -2.834 -33.251 1.00 0.00 C ATOM 188 C ASN A 279 0.694 -3.081 -33.467 1.00 0.00 C ATOM 189 O ASN A 279 1.262 -4.012 -32.896 1.00 0.00 O ATOM 190 CB ASN A 279 -1.587 -4.088 -33.627 1.00 0.00 C ATOM 191 CG ASN A 279 -3.076 -3.846 -33.410 1.00 0.00 C ATOM 192 OD1 ASN A 279 -3.869 -4.786 -33.434 1.00 0.00 O ATOM 193 ND2 ASN A 279 -3.507 -2.629 -33.212 1.00 0.00 N ATOM 0 H ASN A 279 -1.670 -1.944 -34.935 1.00 0.00 H new ATOM 0 HA ASN A 279 -0.951 -2.603 -32.197 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -1.400 -4.348 -34.669 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -1.255 -4.933 -33.023 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -4.503 -2.456 -33.077 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -2.847 -1.851 -33.193 1.00 0.00 H new ATOM 200 N LYS A 280 1.325 -2.259 -34.298 1.00 0.00 N ATOM 201 CA LYS A 280 2.746 -2.432 -34.572 1.00 0.00 C ATOM 202 C LYS A 280 3.546 -2.431 -33.274 1.00 0.00 C ATOM 203 O LYS A 280 4.342 -3.336 -33.025 1.00 0.00 O ATOM 204 CB LYS A 280 3.240 -1.294 -35.457 1.00 0.00 C ATOM 205 CG LYS A 280 4.660 -1.597 -35.946 1.00 0.00 C ATOM 206 CD LYS A 280 5.372 -0.289 -36.299 1.00 0.00 C ATOM 207 CE LYS A 280 4.437 0.605 -37.113 1.00 0.00 C ATOM 208 NZ LYS A 280 5.240 1.575 -37.910 1.00 0.00 N ATOM 0 H LYS A 280 0.884 -1.479 -34.786 1.00 0.00 H new ATOM 0 HA LYS A 280 2.885 -3.387 -35.078 1.00 0.00 H new ATOM 0 HB2 LYS A 280 2.572 -1.167 -36.309 1.00 0.00 H new ATOM 0 HB3 LYS A 280 3.229 -0.357 -34.900 1.00 0.00 H new ATOM 0 HG2 LYS A 280 5.216 -2.128 -35.173 1.00 0.00 H new ATOM 0 HG3 LYS A 280 4.624 -2.250 -36.818 1.00 0.00 H new ATOM 0 HD2 LYS A 280 5.681 0.225 -35.389 1.00 0.00 H new ATOM 0 HD3 LYS A 280 6.277 -0.499 -36.869 1.00 0.00 H new ATOM 0 HE2 LYS A 280 3.821 -0.003 -37.775 1.00 0.00 H new ATOM 0 HE3 LYS A 280 3.758 1.139 -36.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 4.602 2.182 -38.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 5.809 2.164 -37.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 5.870 1.057 -38.555 1.00 0.00 H new ATOM 222 N LYS A 281 3.321 -1.417 -32.444 1.00 0.00 N ATOM 223 CA LYS A 281 4.023 -1.328 -31.171 1.00 0.00 C ATOM 224 C LYS A 281 3.615 -2.494 -30.278 1.00 0.00 C ATOM 225 O LYS A 281 4.400 -2.970 -29.457 1.00 0.00 O ATOM 226 CB LYS A 281 3.717 0.011 -30.463 1.00 0.00 C ATOM 227 CG LYS A 281 2.464 0.662 -31.063 1.00 0.00 C ATOM 228 CD LYS A 281 2.852 1.491 -32.290 1.00 0.00 C ATOM 229 CE LYS A 281 1.590 2.053 -32.953 1.00 0.00 C ATOM 230 NZ LYS A 281 1.919 3.334 -33.638 1.00 0.00 N ATOM 0 H LYS A 281 2.667 -0.656 -32.627 1.00 0.00 H new ATOM 0 HA LYS A 281 5.095 -1.374 -31.363 1.00 0.00 H new ATOM 0 HB2 LYS A 281 3.570 -0.160 -29.397 1.00 0.00 H new ATOM 0 HB3 LYS A 281 4.568 0.685 -30.563 1.00 0.00 H new ATOM 0 HG2 LYS A 281 1.742 -0.105 -31.344 1.00 0.00 H new ATOM 0 HG3 LYS A 281 1.981 1.297 -30.320 1.00 0.00 H new ATOM 0 HD2 LYS A 281 3.514 2.306 -31.996 1.00 0.00 H new ATOM 0 HD3 LYS A 281 3.403 0.873 -32.999 1.00 0.00 H new ATOM 0 HE2 LYS A 281 1.193 1.335 -33.671 1.00 0.00 H new ATOM 0 HE3 LYS A 281 0.815 2.217 -32.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 1.063 3.717 -34.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 2.279 4.018 -32.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 2.645 3.164 -34.363 1.00 0.00 H new ATOM 244 N LEU A 282 2.375 -2.942 -30.444 1.00 0.00 N ATOM 245 CA LEU A 282 1.859 -4.051 -29.644 1.00 0.00 C ATOM 246 C LEU A 282 2.558 -5.361 -29.995 1.00 0.00 C ATOM 247 O LEU A 282 2.761 -6.214 -29.133 1.00 0.00 O ATOM 248 CB LEU A 282 0.350 -4.211 -29.859 1.00 0.00 C ATOM 249 CG LEU A 282 -0.408 -3.098 -29.125 1.00 0.00 C ATOM 250 CD1 LEU A 282 -0.299 -3.298 -27.607 1.00 0.00 C ATOM 251 CD2 LEU A 282 0.183 -1.739 -29.506 1.00 0.00 C ATOM 0 H LEU A 282 1.712 -2.559 -31.119 1.00 0.00 H new ATOM 0 HA LEU A 282 2.057 -3.818 -28.598 1.00 0.00 H new ATOM 0 HB2 LEU A 282 0.121 -4.176 -30.924 1.00 0.00 H new ATOM 0 HB3 LEU A 282 0.024 -5.185 -29.494 1.00 0.00 H new ATOM 0 HG LEU A 282 -1.459 -3.133 -29.414 1.00 0.00 H new ATOM 0 HD11 LEU A 282 -0.841 -2.502 -27.095 1.00 0.00 H new ATOM 0 HD12 LEU A 282 -0.729 -4.262 -27.335 1.00 0.00 H new ATOM 0 HD13 LEU A 282 0.750 -3.272 -27.311 1.00 0.00 H new ATOM 0 HD21 LEU A 282 -0.356 -0.949 -28.984 1.00 0.00 H new ATOM 0 HD22 LEU A 282 1.235 -1.708 -29.224 1.00 0.00 H new ATOM 0 HD23 LEU A 282 0.091 -1.591 -30.582 1.00 0.00 H new ATOM 263 N ASP A 283 2.916 -5.522 -31.267 1.00 0.00 N ATOM 264 CA ASP A 283 3.581 -6.745 -31.713 1.00 0.00 C ATOM 265 C ASP A 283 5.060 -6.498 -31.989 1.00 0.00 C ATOM 266 O ASP A 283 5.472 -5.374 -32.277 1.00 0.00 O ATOM 267 CB ASP A 283 2.904 -7.268 -32.983 1.00 0.00 C ATOM 268 CG ASP A 283 3.090 -6.275 -34.125 1.00 0.00 C ATOM 269 OD1 ASP A 283 3.916 -5.389 -33.987 1.00 0.00 O ATOM 270 OD2 ASP A 283 2.402 -6.416 -35.123 1.00 0.00 O ATOM 0 H ASP A 283 2.759 -4.830 -32.000 1.00 0.00 H new ATOM 0 HA ASP A 283 3.499 -7.486 -30.918 1.00 0.00 H new ATOM 0 HB2 ASP A 283 3.328 -8.234 -33.258 1.00 0.00 H new ATOM 0 HB3 ASP A 283 1.841 -7.427 -32.799 1.00 0.00 H new ATOM 275 N LEU A 284 5.852 -7.565 -31.903 1.00 0.00 N ATOM 276 CA LEU A 284 7.288 -7.473 -32.153 1.00 0.00 C ATOM 277 C LEU A 284 7.636 -8.164 -33.467 1.00 0.00 C ATOM 278 O LEU A 284 6.933 -9.077 -33.899 1.00 0.00 O ATOM 279 CB LEU A 284 8.072 -8.132 -31.016 1.00 0.00 C ATOM 280 CG LEU A 284 7.576 -7.603 -29.670 1.00 0.00 C ATOM 281 CD1 LEU A 284 8.492 -8.105 -28.552 1.00 0.00 C ATOM 282 CD2 LEU A 284 7.584 -6.074 -29.691 1.00 0.00 C ATOM 0 H LEU A 284 5.524 -8.501 -31.663 1.00 0.00 H new ATOM 0 HA LEU A 284 7.558 -6.419 -32.211 1.00 0.00 H new ATOM 0 HB2 LEU A 284 7.951 -9.214 -31.058 1.00 0.00 H new ATOM 0 HB3 LEU A 284 9.136 -7.925 -31.128 1.00 0.00 H new ATOM 0 HG LEU A 284 6.561 -7.959 -29.491 1.00 0.00 H new ATOM 0 HD11 LEU A 284 8.137 -7.727 -27.593 1.00 0.00 H new ATOM 0 HD12 LEU A 284 8.485 -9.195 -28.537 1.00 0.00 H new ATOM 0 HD13 LEU A 284 9.508 -7.751 -28.728 1.00 0.00 H new ATOM 0 HD21 LEU A 284 7.231 -5.695 -28.732 1.00 0.00 H new ATOM 0 HD22 LEU A 284 8.598 -5.718 -29.870 1.00 0.00 H new ATOM 0 HD23 LEU A 284 6.929 -5.718 -30.486 1.00 0.00 H new ATOM 294 N SER A 285 8.720 -7.724 -34.096 1.00 0.00 N ATOM 295 CA SER A 285 9.150 -8.312 -35.361 1.00 0.00 C ATOM 296 C SER A 285 9.368 -9.821 -35.205 1.00 0.00 C ATOM 297 O SER A 285 10.501 -10.297 -35.166 1.00 0.00 O ATOM 298 CB SER A 285 10.445 -7.635 -35.822 1.00 0.00 C ATOM 299 OG SER A 285 10.146 -6.710 -36.858 1.00 0.00 O ATOM 0 H SER A 285 9.314 -6.968 -33.755 1.00 0.00 H new ATOM 0 HA SER A 285 8.373 -8.155 -36.109 1.00 0.00 H new ATOM 0 HB2 SER A 285 10.919 -7.121 -34.985 1.00 0.00 H new ATOM 0 HB3 SER A 285 11.153 -8.383 -36.179 1.00 0.00 H new ATOM 0 HG SER A 285 10.972 -6.273 -37.155 1.00 0.00 H new ATOM 305 N ASN A 286 8.272 -10.563 -35.104 1.00 0.00 N ATOM 306 CA ASN A 286 8.341 -12.013 -34.942 1.00 0.00 C ATOM 307 C ASN A 286 9.201 -12.395 -33.739 1.00 0.00 C ATOM 308 O ASN A 286 9.275 -13.568 -33.374 1.00 0.00 O ATOM 309 CB ASN A 286 8.899 -12.661 -36.218 1.00 0.00 C ATOM 310 CG ASN A 286 10.427 -12.613 -36.233 1.00 0.00 C ATOM 311 OD1 ASN A 286 11.020 -12.067 -37.162 1.00 0.00 O ATOM 312 ND2 ASN A 286 11.102 -13.160 -35.258 1.00 0.00 N ATOM 0 H ASN A 286 7.324 -10.186 -35.131 1.00 0.00 H new ATOM 0 HA ASN A 286 7.331 -12.382 -34.765 1.00 0.00 H new ATOM 0 HB2 ASN A 286 8.563 -13.696 -36.281 1.00 0.00 H new ATOM 0 HB3 ASN A 286 8.507 -12.145 -37.094 1.00 0.00 H new ATOM 0 HD21 ASN A 286 12.122 -13.135 -35.267 1.00 0.00 H new ATOM 0 HD22 ASN A 286 10.610 -13.613 -34.488 1.00 0.00 H new ATOM 319 N VAL A 287 9.843 -11.409 -33.116 1.00 0.00 N ATOM 320 CA VAL A 287 10.672 -11.685 -31.953 1.00 0.00 C ATOM 321 C VAL A 287 9.804 -12.281 -30.863 1.00 0.00 C ATOM 322 O VAL A 287 10.272 -13.041 -30.015 1.00 0.00 O ATOM 323 CB VAL A 287 11.332 -10.400 -31.448 1.00 0.00 C ATOM 324 CG1 VAL A 287 12.013 -10.671 -30.107 1.00 0.00 C ATOM 325 CG2 VAL A 287 12.377 -9.930 -32.461 1.00 0.00 C ATOM 0 H VAL A 287 9.805 -10.428 -33.394 1.00 0.00 H new ATOM 0 HA VAL A 287 11.458 -12.388 -32.229 1.00 0.00 H new ATOM 0 HB VAL A 287 10.573 -9.628 -31.323 1.00 0.00 H new ATOM 0 HG11 VAL A 287 12.483 -9.756 -29.746 1.00 0.00 H new ATOM 0 HG12 VAL A 287 11.270 -11.007 -29.383 1.00 0.00 H new ATOM 0 HG13 VAL A 287 12.771 -11.443 -30.234 1.00 0.00 H new ATOM 0 HG21 VAL A 287 12.847 -9.015 -32.101 1.00 0.00 H new ATOM 0 HG22 VAL A 287 13.136 -10.702 -32.586 1.00 0.00 H new ATOM 0 HG23 VAL A 287 11.894 -9.737 -33.419 1.00 0.00 H new ATOM 335 N GLN A 288 8.525 -11.931 -30.907 1.00 0.00 N ATOM 336 CA GLN A 288 7.569 -12.437 -29.933 1.00 0.00 C ATOM 337 C GLN A 288 6.991 -13.764 -30.404 1.00 0.00 C ATOM 338 O GLN A 288 7.562 -14.434 -31.264 1.00 0.00 O ATOM 339 CB GLN A 288 6.431 -11.437 -29.732 1.00 0.00 C ATOM 340 CG GLN A 288 5.564 -11.384 -30.992 1.00 0.00 C ATOM 341 CD GLN A 288 4.567 -10.234 -30.895 1.00 0.00 C ATOM 342 OE1 GLN A 288 4.853 -9.216 -30.269 1.00 0.00 O ATOM 343 NE2 GLN A 288 3.409 -10.331 -31.487 1.00 0.00 N ATOM 0 H GLN A 288 8.128 -11.301 -31.604 1.00 0.00 H new ATOM 0 HA GLN A 288 8.091 -12.582 -28.987 1.00 0.00 H new ATOM 0 HB2 GLN A 288 5.825 -11.728 -28.874 1.00 0.00 H new ATOM 0 HB3 GLN A 288 6.836 -10.449 -29.516 1.00 0.00 H new ATOM 0 HG2 GLN A 288 6.195 -11.255 -31.872 1.00 0.00 H new ATOM 0 HG3 GLN A 288 5.032 -12.327 -31.117 1.00 0.00 H new ATOM 0 HE21 GLN A 288 3.171 -11.176 -32.007 1.00 0.00 H new ATOM 0 HE22 GLN A 288 2.741 -9.562 -31.430 1.00 0.00 H new ATOM 352 N SER A 289 5.852 -14.133 -29.835 1.00 0.00 N ATOM 353 CA SER A 289 5.197 -15.380 -30.201 1.00 0.00 C ATOM 354 C SER A 289 3.746 -15.369 -29.730 1.00 0.00 C ATOM 355 O SER A 289 2.827 -15.631 -30.507 1.00 0.00 O ATOM 356 CB SER A 289 5.943 -16.553 -29.568 1.00 0.00 C ATOM 357 OG SER A 289 5.015 -17.579 -29.242 1.00 0.00 O ATOM 0 H SER A 289 5.365 -13.590 -29.122 1.00 0.00 H new ATOM 0 HA SER A 289 5.211 -15.487 -31.286 1.00 0.00 H new ATOM 0 HB2 SER A 289 6.697 -16.934 -30.257 1.00 0.00 H new ATOM 0 HB3 SER A 289 6.468 -16.224 -28.672 1.00 0.00 H new ATOM 0 HG SER A 289 5.491 -18.334 -28.837 1.00 0.00 H new ATOM 363 N LYS A 290 3.550 -15.055 -28.454 1.00 0.00 N ATOM 364 CA LYS A 290 2.210 -15.001 -27.881 1.00 0.00 C ATOM 365 C LYS A 290 1.704 -13.562 -27.862 1.00 0.00 C ATOM 366 O LYS A 290 2.495 -12.619 -27.850 1.00 0.00 O ATOM 367 CB LYS A 290 2.228 -15.556 -26.454 1.00 0.00 C ATOM 368 CG LYS A 290 2.898 -16.934 -26.441 1.00 0.00 C ATOM 369 CD LYS A 290 2.106 -17.906 -27.320 1.00 0.00 C ATOM 370 CE LYS A 290 2.514 -19.342 -26.988 1.00 0.00 C ATOM 371 NZ LYS A 290 1.766 -20.285 -27.865 1.00 0.00 N ATOM 0 H LYS A 290 4.300 -14.835 -27.798 1.00 0.00 H new ATOM 0 HA LYS A 290 1.543 -15.606 -28.495 1.00 0.00 H new ATOM 0 HB2 LYS A 290 2.766 -14.874 -25.796 1.00 0.00 H new ATOM 0 HB3 LYS A 290 1.210 -15.633 -26.071 1.00 0.00 H new ATOM 0 HG2 LYS A 290 3.923 -16.853 -26.804 1.00 0.00 H new ATOM 0 HG3 LYS A 290 2.951 -17.313 -25.420 1.00 0.00 H new ATOM 0 HD2 LYS A 290 1.037 -17.773 -27.155 1.00 0.00 H new ATOM 0 HD3 LYS A 290 2.295 -17.697 -28.373 1.00 0.00 H new ATOM 0 HE2 LYS A 290 3.587 -19.469 -27.131 1.00 0.00 H new ATOM 0 HE3 LYS A 290 2.304 -19.558 -25.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 290 2.043 -21.262 -27.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 290 0.745 -20.169 -27.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 290 1.988 -20.083 -28.861 1.00 0.00 H new ATOM 385 N CYS A 291 0.385 -13.395 -27.859 1.00 0.00 N ATOM 386 CA CYS A 291 -0.198 -12.059 -27.842 1.00 0.00 C ATOM 387 C CYS A 291 0.369 -11.254 -26.678 1.00 0.00 C ATOM 388 O CYS A 291 0.550 -10.041 -26.777 1.00 0.00 O ATOM 389 CB CYS A 291 -1.719 -12.153 -27.711 1.00 0.00 C ATOM 390 SG CYS A 291 -2.397 -12.993 -29.164 1.00 0.00 S ATOM 0 H CYS A 291 -0.292 -14.158 -27.868 1.00 0.00 H new ATOM 0 HA CYS A 291 0.051 -11.557 -28.777 1.00 0.00 H new ATOM 0 HB2 CYS A 291 -1.984 -12.699 -26.805 1.00 0.00 H new ATOM 0 HB3 CYS A 291 -2.150 -11.156 -27.620 1.00 0.00 H new ATOM 0 HG CYS A 291 -3.690 -13.076 -29.053 1.00 0.00 H new ATOM 396 N GLY A 292 0.660 -11.942 -25.579 1.00 0.00 N ATOM 397 CA GLY A 292 1.223 -11.290 -24.403 1.00 0.00 C ATOM 398 C GLY A 292 2.664 -10.873 -24.659 1.00 0.00 C ATOM 399 O GLY A 292 3.322 -10.323 -23.779 1.00 0.00 O ATOM 0 H GLY A 292 0.516 -12.947 -25.478 1.00 0.00 H new ATOM 0 HA2 GLY A 292 0.626 -10.415 -24.145 1.00 0.00 H new ATOM 0 HA3 GLY A 292 1.181 -11.967 -23.550 1.00 0.00 H new ATOM 403 N SER A 293 3.149 -11.160 -25.866 1.00 0.00 N ATOM 404 CA SER A 293 4.522 -10.831 -26.240 1.00 0.00 C ATOM 405 C SER A 293 5.441 -11.993 -25.884 1.00 0.00 C ATOM 406 O SER A 293 4.971 -13.091 -25.586 1.00 0.00 O ATOM 407 CB SER A 293 4.990 -9.561 -25.524 1.00 0.00 C ATOM 408 OG SER A 293 5.979 -8.913 -26.315 1.00 0.00 O ATOM 0 H SER A 293 2.611 -11.619 -26.601 1.00 0.00 H new ATOM 0 HA SER A 293 4.557 -10.653 -27.315 1.00 0.00 H new ATOM 0 HB2 SER A 293 4.146 -8.892 -25.357 1.00 0.00 H new ATOM 0 HB3 SER A 293 5.398 -9.811 -24.545 1.00 0.00 H new ATOM 0 HG SER A 293 6.280 -8.099 -25.860 1.00 0.00 H new ATOM 414 N LYS A 294 6.747 -11.756 -25.913 1.00 0.00 N ATOM 415 CA LYS A 294 7.692 -12.814 -25.583 1.00 0.00 C ATOM 416 C LYS A 294 7.394 -13.364 -24.192 1.00 0.00 C ATOM 417 O LYS A 294 7.476 -14.571 -23.962 1.00 0.00 O ATOM 418 CB LYS A 294 9.129 -12.289 -25.636 1.00 0.00 C ATOM 419 CG LYS A 294 10.100 -13.459 -25.453 1.00 0.00 C ATOM 420 CD LYS A 294 11.540 -12.944 -25.484 1.00 0.00 C ATOM 421 CE LYS A 294 12.509 -14.130 -25.448 1.00 0.00 C ATOM 422 NZ LYS A 294 13.827 -13.680 -24.917 1.00 0.00 N ATOM 0 H LYS A 294 7.169 -10.860 -26.156 1.00 0.00 H new ATOM 0 HA LYS A 294 7.585 -13.613 -26.317 1.00 0.00 H new ATOM 0 HB2 LYS A 294 9.313 -11.794 -26.590 1.00 0.00 H new ATOM 0 HB3 LYS A 294 9.286 -11.545 -24.855 1.00 0.00 H new ATOM 0 HG2 LYS A 294 9.904 -13.962 -24.506 1.00 0.00 H new ATOM 0 HG3 LYS A 294 9.950 -14.196 -26.242 1.00 0.00 H new ATOM 0 HD2 LYS A 294 11.706 -12.352 -26.384 1.00 0.00 H new ATOM 0 HD3 LYS A 294 11.721 -12.287 -24.633 1.00 0.00 H new ATOM 0 HE2 LYS A 294 12.105 -14.925 -24.821 1.00 0.00 H new ATOM 0 HE3 LYS A 294 12.631 -14.544 -26.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 14.485 -14.485 -24.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 14.213 -12.936 -25.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 13.704 -13.304 -23.955 1.00 0.00 H new ATOM 436 N ASP A 295 7.034 -12.475 -23.270 1.00 0.00 N ATOM 437 CA ASP A 295 6.712 -12.892 -21.909 1.00 0.00 C ATOM 438 C ASP A 295 6.012 -11.774 -21.150 1.00 0.00 C ATOM 439 O ASP A 295 6.591 -11.159 -20.256 1.00 0.00 O ATOM 440 CB ASP A 295 7.984 -13.303 -21.167 1.00 0.00 C ATOM 441 CG ASP A 295 7.631 -13.848 -19.788 1.00 0.00 C ATOM 442 OD1 ASP A 295 6.450 -13.975 -19.508 1.00 0.00 O ATOM 443 OD2 ASP A 295 8.545 -14.130 -19.031 1.00 0.00 O ATOM 0 H ASP A 295 6.958 -11.472 -23.438 1.00 0.00 H new ATOM 0 HA ASP A 295 6.038 -13.747 -21.968 1.00 0.00 H new ATOM 0 HB2 ASP A 295 8.520 -14.060 -21.740 1.00 0.00 H new ATOM 0 HB3 ASP A 295 8.650 -12.446 -21.069 1.00 0.00 H new ATOM 448 N ASN A 296 4.758 -11.523 -21.511 1.00 0.00 N ATOM 449 CA ASN A 296 3.979 -10.480 -20.857 1.00 0.00 C ATOM 450 C ASN A 296 4.853 -9.265 -20.576 1.00 0.00 C ATOM 451 O ASN A 296 4.532 -8.442 -19.721 1.00 0.00 O ATOM 452 CB ASN A 296 3.396 -11.007 -19.546 1.00 0.00 C ATOM 453 CG ASN A 296 2.465 -12.182 -19.824 1.00 0.00 C ATOM 454 OD1 ASN A 296 2.009 -12.361 -20.953 1.00 0.00 O ATOM 455 ND2 ASN A 296 2.153 -12.999 -18.854 1.00 0.00 N ATOM 0 H ASN A 296 4.263 -12.024 -22.248 1.00 0.00 H new ATOM 0 HA ASN A 296 3.166 -10.186 -21.521 1.00 0.00 H new ATOM 0 HB2 ASN A 296 4.201 -11.320 -18.880 1.00 0.00 H new ATOM 0 HB3 ASN A 296 2.851 -10.213 -19.036 1.00 0.00 H new ATOM 0 HD21 ASN A 296 1.530 -13.787 -19.031 1.00 0.00 H new ATOM 0 HD22 ASN A 296 2.532 -12.849 -17.919 1.00 0.00 H new ATOM 462 N ILE A 297 5.961 -9.156 -21.302 1.00 0.00 N ATOM 463 CA ILE A 297 6.871 -8.034 -21.115 1.00 0.00 C ATOM 464 C ILE A 297 6.153 -6.723 -21.406 1.00 0.00 C ATOM 465 O ILE A 297 6.613 -5.651 -21.013 1.00 0.00 O ATOM 466 CB ILE A 297 8.085 -8.182 -22.038 1.00 0.00 C ATOM 467 CG1 ILE A 297 7.700 -7.797 -23.480 1.00 0.00 C ATOM 468 CG2 ILE A 297 8.566 -9.636 -22.005 1.00 0.00 C ATOM 469 CD1 ILE A 297 8.043 -6.326 -23.744 1.00 0.00 C ATOM 0 H ILE A 297 6.248 -9.824 -22.018 1.00 0.00 H new ATOM 0 HA ILE A 297 7.212 -8.027 -20.080 1.00 0.00 H new ATOM 0 HB ILE A 297 8.882 -7.522 -21.697 1.00 0.00 H new ATOM 0 HG12 ILE A 297 8.230 -8.434 -24.188 1.00 0.00 H new ATOM 0 HG13 ILE A 297 6.634 -7.963 -23.637 1.00 0.00 H new ATOM 0 HG21 ILE A 297 9.430 -9.748 -22.660 1.00 0.00 H new ATOM 0 HG22 ILE A 297 8.846 -9.904 -20.986 1.00 0.00 H new ATOM 0 HG23 ILE A 297 7.765 -10.292 -22.345 1.00 0.00 H new ATOM 0 HD11 ILE A 297 7.767 -6.066 -24.766 1.00 0.00 H new ATOM 0 HD12 ILE A 297 7.493 -5.693 -23.047 1.00 0.00 H new ATOM 0 HD13 ILE A 297 9.113 -6.172 -23.607 1.00 0.00 H new ATOM 481 N LYS A 298 5.020 -6.816 -22.093 1.00 0.00 N ATOM 482 CA LYS A 298 4.248 -5.620 -22.423 1.00 0.00 C ATOM 483 C LYS A 298 3.644 -5.012 -21.162 1.00 0.00 C ATOM 484 O LYS A 298 2.965 -3.986 -21.217 1.00 0.00 O ATOM 485 CB LYS A 298 3.130 -5.953 -23.418 1.00 0.00 C ATOM 486 CG LYS A 298 2.184 -6.999 -22.818 1.00 0.00 C ATOM 487 CD LYS A 298 0.913 -7.081 -23.667 1.00 0.00 C ATOM 488 CE LYS A 298 1.251 -7.645 -25.046 1.00 0.00 C ATOM 489 NZ LYS A 298 1.825 -6.566 -25.898 1.00 0.00 N ATOM 0 H LYS A 298 4.619 -7.692 -22.429 1.00 0.00 H new ATOM 0 HA LYS A 298 4.925 -4.898 -22.881 1.00 0.00 H new ATOM 0 HB2 LYS A 298 2.574 -5.049 -23.668 1.00 0.00 H new ATOM 0 HB3 LYS A 298 3.559 -6.330 -24.346 1.00 0.00 H new ATOM 0 HG2 LYS A 298 2.675 -7.972 -22.783 1.00 0.00 H new ATOM 0 HG3 LYS A 298 1.932 -6.732 -21.792 1.00 0.00 H new ATOM 0 HD2 LYS A 298 0.176 -7.715 -23.175 1.00 0.00 H new ATOM 0 HD3 LYS A 298 0.467 -6.092 -23.767 1.00 0.00 H new ATOM 0 HE2 LYS A 298 1.963 -8.465 -24.951 1.00 0.00 H new ATOM 0 HE3 LYS A 298 0.355 -8.054 -25.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 298 1.320 -6.536 -26.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 298 1.723 -5.651 -25.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 298 2.833 -6.757 -26.068 1.00 0.00 H new ATOM 503 N HIS A 299 3.891 -5.658 -20.028 1.00 0.00 N ATOM 504 CA HIS A 299 3.361 -5.183 -18.756 1.00 0.00 C ATOM 505 C HIS A 299 4.364 -4.288 -18.047 1.00 0.00 C ATOM 506 O HIS A 299 5.531 -4.219 -18.434 1.00 0.00 O ATOM 507 CB HIS A 299 3.014 -6.373 -17.859 1.00 0.00 C ATOM 508 CG HIS A 299 4.272 -7.090 -17.423 1.00 0.00 C ATOM 509 ND1 HIS A 299 5.466 -6.430 -17.166 1.00 0.00 N ATOM 510 CD2 HIS A 299 4.526 -8.416 -17.177 1.00 0.00 C ATOM 511 CE1 HIS A 299 6.366 -7.347 -16.785 1.00 0.00 C ATOM 512 NE2 HIS A 299 5.849 -8.575 -16.778 1.00 0.00 N ATOM 0 H HIS A 299 4.452 -6.508 -19.963 1.00 0.00 H new ATOM 0 HA HIS A 299 2.461 -4.602 -18.959 1.00 0.00 H new ATOM 0 HB2 HIS A 299 2.463 -6.028 -16.984 1.00 0.00 H new ATOM 0 HB3 HIS A 299 2.362 -7.063 -18.395 1.00 0.00 H new ATOM 0 HD1 HIS A 299 5.629 -5.427 -17.252 1.00 0.00 H new ATOM 0 HD2 HIS A 299 3.807 -9.216 -17.278 1.00 0.00 H new ATOM 0 HE1 HIS A 299 7.387 -7.118 -16.516 1.00 0.00 H new ATOM 521 N VAL A 300 3.909 -3.612 -16.997 1.00 0.00 N ATOM 522 CA VAL A 300 4.784 -2.732 -16.229 1.00 0.00 C ATOM 523 C VAL A 300 4.744 -3.063 -14.743 1.00 0.00 C ATOM 524 O VAL A 300 3.802 -2.684 -14.057 1.00 0.00 O ATOM 525 CB VAL A 300 4.346 -1.275 -16.384 1.00 0.00 C ATOM 526 CG1 VAL A 300 5.208 -0.566 -17.434 1.00 0.00 C ATOM 527 CG2 VAL A 300 2.878 -1.225 -16.813 1.00 0.00 C ATOM 0 H VAL A 300 2.947 -3.655 -16.660 1.00 0.00 H new ATOM 0 HA VAL A 300 5.793 -2.878 -16.614 1.00 0.00 H new ATOM 0 HB VAL A 300 4.468 -0.768 -15.427 1.00 0.00 H new ATOM 0 HG11 VAL A 300 4.883 0.470 -17.532 1.00 0.00 H new ATOM 0 HG12 VAL A 300 6.253 -0.591 -17.124 1.00 0.00 H new ATOM 0 HG13 VAL A 300 5.102 -1.072 -18.394 1.00 0.00 H new ATOM 0 HG21 VAL A 300 2.566 -0.186 -16.923 1.00 0.00 H new ATOM 0 HG22 VAL A 300 2.759 -1.743 -17.765 1.00 0.00 H new ATOM 0 HG23 VAL A 300 2.261 -1.710 -16.057 1.00 0.00 H new ATOM 537 N PRO A 301 5.755 -3.692 -14.225 1.00 0.00 N ATOM 538 CA PRO A 301 5.800 -3.971 -12.784 1.00 0.00 C ATOM 539 C PRO A 301 5.962 -2.711 -11.943 1.00 0.00 C ATOM 540 O PRO A 301 5.747 -2.736 -10.731 1.00 0.00 O ATOM 541 CB PRO A 301 6.993 -4.909 -12.707 1.00 0.00 C ATOM 542 CG PRO A 301 6.833 -5.781 -13.909 1.00 0.00 C ATOM 543 CD PRO A 301 5.990 -4.977 -14.920 1.00 0.00 C ATOM 0 HA PRO A 301 4.882 -4.397 -12.380 1.00 0.00 H new ATOM 0 HB2 PRO A 301 7.935 -4.362 -12.731 1.00 0.00 H new ATOM 0 HB3 PRO A 301 6.986 -5.491 -11.786 1.00 0.00 H new ATOM 0 HG2 PRO A 301 7.803 -6.041 -14.332 1.00 0.00 H new ATOM 0 HG3 PRO A 301 6.338 -6.716 -13.647 1.00 0.00 H new ATOM 0 HD2 PRO A 301 6.520 -4.834 -15.861 1.00 0.00 H new ATOM 0 HD3 PRO A 301 5.054 -5.484 -15.156 1.00 0.00 H new ATOM 551 N GLY A 302 6.298 -1.600 -12.589 1.00 0.00 N ATOM 552 CA GLY A 302 6.426 -0.344 -11.866 1.00 0.00 C ATOM 553 C GLY A 302 5.117 -0.068 -11.136 1.00 0.00 C ATOM 554 O GLY A 302 5.091 0.564 -10.080 1.00 0.00 O ATOM 0 H GLY A 302 6.483 -1.544 -13.591 1.00 0.00 H new ATOM 0 HA2 GLY A 302 7.251 -0.399 -11.156 1.00 0.00 H new ATOM 0 HA3 GLY A 302 6.653 0.469 -12.556 1.00 0.00 H new ATOM 558 N GLY A 303 4.034 -0.576 -11.720 1.00 0.00 N ATOM 559 CA GLY A 303 2.699 -0.426 -11.152 1.00 0.00 C ATOM 560 C GLY A 303 1.842 -1.633 -11.528 1.00 0.00 C ATOM 561 O GLY A 303 0.649 -1.687 -11.227 1.00 0.00 O ATOM 0 H GLY A 303 4.058 -1.100 -12.595 1.00 0.00 H new ATOM 0 HA2 GLY A 303 2.762 -0.336 -10.068 1.00 0.00 H new ATOM 0 HA3 GLY A 303 2.237 0.490 -11.521 1.00 0.00 H new ATOM 565 N GLY A 304 2.476 -2.597 -12.193 1.00 0.00 N ATOM 566 CA GLY A 304 1.801 -3.817 -12.627 1.00 0.00 C ATOM 567 C GLY A 304 0.511 -3.510 -13.381 1.00 0.00 C ATOM 568 O GLY A 304 -0.482 -3.090 -12.789 1.00 0.00 O ATOM 0 H GLY A 304 3.464 -2.555 -12.444 1.00 0.00 H new ATOM 0 HA2 GLY A 304 2.468 -4.394 -13.267 1.00 0.00 H new ATOM 0 HA3 GLY A 304 1.577 -4.437 -11.759 1.00 0.00 H new ATOM 572 N SER A 305 0.534 -3.738 -14.692 1.00 0.00 N ATOM 573 CA SER A 305 -0.641 -3.498 -15.523 1.00 0.00 C ATOM 574 C SER A 305 -1.754 -4.476 -15.162 1.00 0.00 C ATOM 575 O SER A 305 -1.506 -5.515 -14.551 1.00 0.00 O ATOM 576 CB SER A 305 -0.282 -3.649 -17.002 1.00 0.00 C ATOM 577 OG SER A 305 0.624 -2.621 -17.375 1.00 0.00 O ATOM 0 H SER A 305 1.348 -4.086 -15.198 1.00 0.00 H new ATOM 0 HA SER A 305 -0.990 -2.481 -15.342 1.00 0.00 H new ATOM 0 HB2 SER A 305 0.166 -4.626 -17.181 1.00 0.00 H new ATOM 0 HB3 SER A 305 -1.183 -3.595 -17.614 1.00 0.00 H new ATOM 0 HG SER A 305 0.856 -2.718 -18.322 1.00 0.00 H new ATOM 583 N VAL A 306 -2.981 -4.135 -15.537 1.00 0.00 N ATOM 584 CA VAL A 306 -4.126 -4.989 -15.238 1.00 0.00 C ATOM 585 C VAL A 306 -3.894 -6.414 -15.738 1.00 0.00 C ATOM 586 O VAL A 306 -4.421 -7.369 -15.169 1.00 0.00 O ATOM 587 CB VAL A 306 -5.384 -4.418 -15.893 1.00 0.00 C ATOM 588 CG1 VAL A 306 -5.340 -4.676 -17.399 1.00 0.00 C ATOM 589 CG2 VAL A 306 -6.620 -5.097 -15.297 1.00 0.00 C ATOM 0 H VAL A 306 -3.209 -3.280 -16.045 1.00 0.00 H new ATOM 0 HA VAL A 306 -4.254 -5.018 -14.156 1.00 0.00 H new ATOM 0 HB VAL A 306 -5.432 -3.344 -15.711 1.00 0.00 H new ATOM 0 HG11 VAL A 306 -6.237 -4.268 -17.864 1.00 0.00 H new ATOM 0 HG12 VAL A 306 -4.460 -4.195 -17.825 1.00 0.00 H new ATOM 0 HG13 VAL A 306 -5.291 -5.749 -17.583 1.00 0.00 H new ATOM 0 HG21 VAL A 306 -7.518 -4.691 -15.763 1.00 0.00 H new ATOM 0 HG22 VAL A 306 -6.569 -6.170 -15.480 1.00 0.00 H new ATOM 0 HG23 VAL A 306 -6.654 -4.914 -14.223 1.00 0.00 H new ATOM 599 N GLN A 307 -3.101 -6.556 -16.798 1.00 0.00 N ATOM 600 CA GLN A 307 -2.821 -7.884 -17.342 1.00 0.00 C ATOM 601 C GLN A 307 -2.128 -8.747 -16.293 1.00 0.00 C ATOM 602 O GLN A 307 -2.387 -9.946 -16.189 1.00 0.00 O ATOM 603 CB GLN A 307 -1.949 -7.780 -18.597 1.00 0.00 C ATOM 604 CG GLN A 307 -0.941 -6.642 -18.443 1.00 0.00 C ATOM 605 CD GLN A 307 0.020 -6.633 -19.626 1.00 0.00 C ATOM 606 OE1 GLN A 307 0.264 -7.674 -20.235 1.00 0.00 O ATOM 607 NE2 GLN A 307 0.576 -5.513 -19.993 1.00 0.00 N ATOM 0 H GLN A 307 -2.649 -5.785 -17.290 1.00 0.00 H new ATOM 0 HA GLN A 307 -3.767 -8.350 -17.616 1.00 0.00 H new ATOM 0 HB2 GLN A 307 -1.424 -8.721 -18.764 1.00 0.00 H new ATOM 0 HB3 GLN A 307 -2.576 -7.605 -19.471 1.00 0.00 H new ATOM 0 HG2 GLN A 307 -1.464 -5.688 -18.382 1.00 0.00 H new ATOM 0 HG3 GLN A 307 -0.385 -6.761 -17.513 1.00 0.00 H new ATOM 0 HE21 GLN A 307 0.371 -4.652 -19.486 1.00 0.00 H new ATOM 0 HE22 GLN A 307 1.216 -5.497 -20.787 1.00 0.00 H new ATOM 616 N ILE A 308 -1.262 -8.120 -15.499 1.00 0.00 N ATOM 617 CA ILE A 308 -0.551 -8.824 -14.435 1.00 0.00 C ATOM 618 C ILE A 308 -0.639 -8.014 -13.148 1.00 0.00 C ATOM 619 O ILE A 308 -1.594 -7.265 -12.957 1.00 0.00 O ATOM 620 CB ILE A 308 0.912 -9.072 -14.820 1.00 0.00 C ATOM 621 CG1 ILE A 308 1.597 -7.750 -15.186 1.00 0.00 C ATOM 622 CG2 ILE A 308 0.955 -10.010 -16.030 1.00 0.00 C ATOM 623 CD1 ILE A 308 2.113 -7.031 -13.932 1.00 0.00 C ATOM 0 H ILE A 308 -1.036 -7.128 -15.572 1.00 0.00 H new ATOM 0 HA ILE A 308 -1.019 -9.796 -14.281 1.00 0.00 H new ATOM 0 HB ILE A 308 1.434 -9.520 -13.974 1.00 0.00 H new ATOM 0 HG12 ILE A 308 2.427 -7.943 -15.866 1.00 0.00 H new ATOM 0 HG13 ILE A 308 0.894 -7.106 -15.715 1.00 0.00 H new ATOM 0 HG21 ILE A 308 1.992 -10.193 -16.312 1.00 0.00 H new ATOM 0 HG22 ILE A 308 0.476 -10.955 -15.775 1.00 0.00 H new ATOM 0 HG23 ILE A 308 0.427 -9.550 -16.866 1.00 0.00 H new ATOM 0 HD11 ILE A 308 2.594 -6.097 -14.221 1.00 0.00 H new ATOM 0 HD12 ILE A 308 1.278 -6.818 -13.265 1.00 0.00 H new ATOM 0 HD13 ILE A 308 2.834 -7.667 -13.419 1.00 0.00 H new ATOM 635 N VAL A 309 0.354 -8.158 -12.271 1.00 0.00 N ATOM 636 CA VAL A 309 0.359 -7.425 -11.011 1.00 0.00 C ATOM 637 C VAL A 309 1.403 -8.022 -10.074 1.00 0.00 C ATOM 638 O VAL A 309 1.671 -7.479 -9.003 1.00 0.00 O ATOM 639 CB VAL A 309 -1.032 -7.471 -10.353 1.00 0.00 C ATOM 640 CG1 VAL A 309 -1.672 -8.850 -10.583 1.00 0.00 C ATOM 641 CG2 VAL A 309 -0.907 -7.198 -8.847 1.00 0.00 C ATOM 0 H VAL A 309 1.158 -8.771 -12.410 1.00 0.00 H new ATOM 0 HA VAL A 309 0.609 -6.383 -11.211 1.00 0.00 H new ATOM 0 HB VAL A 309 -1.664 -6.705 -10.802 1.00 0.00 H new ATOM 0 HG11 VAL A 309 -2.656 -8.877 -10.115 1.00 0.00 H new ATOM 0 HG12 VAL A 309 -1.774 -9.030 -11.653 1.00 0.00 H new ATOM 0 HG13 VAL A 309 -1.040 -9.622 -10.144 1.00 0.00 H new ATOM 0 HG21 VAL A 309 -1.895 -7.232 -8.388 1.00 0.00 H new ATOM 0 HG22 VAL A 309 -0.269 -7.955 -8.392 1.00 0.00 H new ATOM 0 HG23 VAL A 309 -0.468 -6.212 -8.691 1.00 0.00 H new ATOM 651 N TYR A 310 2.012 -9.126 -10.493 1.00 0.00 N ATOM 652 CA TYR A 310 3.043 -9.750 -9.684 1.00 0.00 C ATOM 653 C TYR A 310 4.326 -9.022 -9.968 1.00 0.00 C ATOM 654 O TYR A 310 5.417 -9.441 -9.581 1.00 0.00 O ATOM 655 CB TYR A 310 3.174 -11.256 -9.991 1.00 0.00 C ATOM 656 CG TYR A 310 2.193 -11.645 -11.068 1.00 0.00 C ATOM 657 CD1 TYR A 310 0.818 -11.528 -10.842 1.00 0.00 C ATOM 658 CD2 TYR A 310 2.663 -12.117 -12.295 1.00 0.00 C ATOM 659 CE1 TYR A 310 -0.089 -11.885 -11.848 1.00 0.00 C ATOM 660 CE2 TYR A 310 1.761 -12.472 -13.302 1.00 0.00 C ATOM 661 CZ TYR A 310 0.384 -12.357 -13.079 1.00 0.00 C ATOM 662 OH TYR A 310 -0.507 -12.707 -14.073 1.00 0.00 O ATOM 0 H TYR A 310 1.811 -9.598 -11.374 1.00 0.00 H new ATOM 0 HA TYR A 310 2.787 -9.681 -8.627 1.00 0.00 H new ATOM 0 HB2 TYR A 310 4.190 -11.484 -10.312 1.00 0.00 H new ATOM 0 HB3 TYR A 310 2.987 -11.838 -9.089 1.00 0.00 H new ATOM 0 HD1 TYR A 310 0.456 -11.163 -9.892 1.00 0.00 H new ATOM 0 HD2 TYR A 310 3.725 -12.208 -12.466 1.00 0.00 H new ATOM 0 HE1 TYR A 310 -1.151 -11.796 -11.675 1.00 0.00 H new ATOM 0 HE2 TYR A 310 2.126 -12.835 -14.251 1.00 0.00 H new ATOM 0 HH TYR A 310 -0.013 -13.013 -14.862 1.00 0.00 H new ATOM 672 N LYS A 311 4.155 -7.908 -10.654 1.00 0.00 N ATOM 673 CA LYS A 311 5.261 -7.069 -11.018 1.00 0.00 C ATOM 674 C LYS A 311 6.459 -7.938 -11.432 1.00 0.00 C ATOM 675 O LYS A 311 7.551 -7.822 -10.880 1.00 0.00 O ATOM 676 CB LYS A 311 5.628 -6.130 -9.837 1.00 0.00 C ATOM 677 CG LYS A 311 4.734 -6.412 -8.622 1.00 0.00 C ATOM 678 CD LYS A 311 4.944 -5.318 -7.569 1.00 0.00 C ATOM 679 CE LYS A 311 4.012 -4.137 -7.858 1.00 0.00 C ATOM 680 NZ LYS A 311 2.699 -4.368 -7.193 1.00 0.00 N ATOM 0 H LYS A 311 3.247 -7.568 -10.969 1.00 0.00 H new ATOM 0 HA LYS A 311 4.981 -6.447 -11.868 1.00 0.00 H new ATOM 0 HB2 LYS A 311 6.674 -6.271 -9.565 1.00 0.00 H new ATOM 0 HB3 LYS A 311 5.516 -5.090 -10.144 1.00 0.00 H new ATOM 0 HG2 LYS A 311 3.688 -6.443 -8.926 1.00 0.00 H new ATOM 0 HG3 LYS A 311 4.972 -7.388 -8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 311 4.745 -5.715 -6.574 1.00 0.00 H new ATOM 0 HD3 LYS A 311 5.982 -4.985 -7.578 1.00 0.00 H new ATOM 0 HE2 LYS A 311 4.458 -3.211 -7.495 1.00 0.00 H new ATOM 0 HE3 LYS A 311 3.873 -4.024 -8.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 311 2.065 -3.567 -7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 311 2.274 -5.243 -7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 311 2.840 -4.455 -6.166 1.00 0.00 H new ATOM 694 N PRO A 312 6.266 -8.802 -12.399 1.00 0.00 N ATOM 695 CA PRO A 312 7.358 -9.693 -12.885 1.00 0.00 C ATOM 696 C PRO A 312 8.709 -8.984 -12.936 1.00 0.00 C ATOM 697 O PRO A 312 8.870 -8.120 -13.781 1.00 0.00 O ATOM 698 CB PRO A 312 6.885 -10.081 -14.282 1.00 0.00 C ATOM 699 CG PRO A 312 5.400 -10.128 -14.171 1.00 0.00 C ATOM 700 CD PRO A 312 5.007 -9.084 -13.117 1.00 0.00 C ATOM 701 OXT PRO A 312 9.561 -9.318 -12.130 1.00 0.00 O ATOM 0 HA PRO A 312 7.524 -10.546 -12.227 1.00 0.00 H new ATOM 0 HB2 PRO A 312 7.205 -9.352 -15.027 1.00 0.00 H new ATOM 0 HB3 PRO A 312 7.291 -11.046 -14.585 1.00 0.00 H new ATOM 0 HG2 PRO A 312 4.932 -9.906 -15.130 1.00 0.00 H new ATOM 0 HG3 PRO A 312 5.065 -11.122 -13.876 1.00 0.00 H new ATOM 0 HD2 PRO A 312 4.602 -8.184 -13.580 1.00 0.00 H new ATOM 0 HD3 PRO A 312 4.241 -9.468 -12.443 1.00 0.00 H new TER 709 PRO A 312