USER MOD reduce.3.24.130724 H: found=0, std=0, add=361, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 354 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 302 CYS SG : rot 163:sc= 0.782 USER MOD Set 1.2: A 305 CYS SG : rot -66:sc= 1.15 USER MOD Set 1.3: A 307 SER OG : rot 46:sc= -0.0419 USER MOD Set 1.4: A 308 SER OG : rot 9:sc= 1.26 USER MOD Set 1.5: A 322 SER OG : rot 180:sc= 0.17 USER MOD Set 1.6: A 323 CYS SG : rot -172:sc= 1.45 USER MOD Set 1.7: A 326 CYS SG : rot 142:sc= 0.329 USER MOD Set 2.1: A 317 CYS SG : rot -95:sc= 1.93 USER MOD Set 2.2: A 319 HIS : no HE2:sc= -2.28! K(o=-1.7!,f=-2.5) USER MOD Set 2.3: A 336 CYS SG : rot 146:sc= 0.132 USER MOD Set 2.4: A 339 CYS SG : rot 161:sc= -0.353 USER MOD Set 2.5: A 341 GLN : amide:sc= -1.14 K(o=-1.7,f=-7.2!) USER MOD Set 3.1: A 312 CYS SG : rot 14:sc= 0.385 USER MOD Set 3.2: A 324 THR OG1 : rot -45:sc= 0.0991 USER MOD Single : A 300 SER OG : rot 20:sc= 0.324 USER MOD Single : A 310 LYS NZ :NH3+ -166:sc= 0.872 (180deg=0.727) USER MOD Single : A 311 SER OG : rot 180:sc= 0 USER MOD Single : A 321 CYS SG : rot 90:sc= -0.504 USER MOD Single : A 327 TYR OH : rot 180:sc= 0 USER MOD Single : A 334 LYS NZ :NH3+ -161:sc= 0.987 (180deg=0.805) USER MOD Single : A 335 LYS NZ :NH3+ 136:sc= 0.204 (180deg=-1.42!) USER MOD Single : A 344 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N SER A 300 16.317 12.313 -15.260 1.00 3.12 N ATOM 63 CA SER A 300 16.684 13.072 -14.102 1.00 12.04 C ATOM 64 C SER A 300 17.288 12.101 -13.143 1.00 55.23 C ATOM 65 O SER A 300 17.532 10.968 -13.498 1.00 3.53 O ATOM 66 CB SER A 300 15.458 13.751 -13.450 1.00 32.21 C ATOM 67 OG SER A 300 14.616 14.300 -14.481 1.00 2.40 O ATOM 0 HA SER A 300 17.376 13.868 -14.377 1.00 12.04 H new ATOM 0 HB2 SER A 300 14.900 13.028 -12.855 1.00 32.21 H new ATOM 0 HB3 SER A 300 15.782 14.539 -12.771 1.00 32.21 H new ATOM 0 HG SER A 300 14.814 13.860 -15.334 1.00 2.40 H new ATOM 73 N ALA A 301 17.530 12.519 -11.900 1.00 41.01 N ATOM 74 CA ALA A 301 18.184 11.659 -10.938 1.00 13.55 C ATOM 75 C ALA A 301 17.264 10.533 -10.556 1.00 40.31 C ATOM 76 O ALA A 301 16.100 10.746 -10.248 1.00 4.35 O ATOM 77 CB ALA A 301 18.586 12.386 -9.639 1.00 62.14 C ATOM 0 H ALA A 301 17.281 13.443 -11.546 1.00 41.01 H new ATOM 0 HA ALA A 301 19.091 11.301 -11.425 1.00 13.55 H new ATOM 0 HB1 ALA A 301 19.071 11.682 -8.963 1.00 62.14 H new ATOM 0 HB2 ALA A 301 19.276 13.197 -9.874 1.00 62.14 H new ATOM 0 HB3 ALA A 301 17.696 12.794 -9.160 1.00 62.14 H new ATOM 83 N CYS A 302 17.794 9.277 -10.602 1.00 65.22 N ATOM 84 CA CYS A 302 17.085 8.087 -10.107 1.00 52.23 C ATOM 85 C CYS A 302 16.771 8.386 -8.667 1.00 22.22 C ATOM 86 O CYS A 302 17.683 8.470 -7.873 1.00 13.50 O ATOM 87 CB CYS A 302 18.004 6.813 -10.179 1.00 40.05 C ATOM 88 SG CYS A 302 17.306 5.259 -9.466 1.00 41.41 S ATOM 0 H CYS A 302 18.718 9.075 -10.983 1.00 65.22 H new ATOM 0 HA CYS A 302 16.196 7.882 -10.703 1.00 52.23 H new ATOM 0 HB2 CYS A 302 18.252 6.629 -11.224 1.00 40.05 H new ATOM 0 HB3 CYS A 302 18.939 7.036 -9.664 1.00 40.05 H new ATOM 0 HG CYS A 302 17.986 4.239 -9.899 1.00 41.41 H new ATOM 93 N VAL A 303 15.464 8.386 -8.306 1.00 60.23 N ATOM 94 CA VAL A 303 15.001 8.944 -7.025 1.00 1.53 C ATOM 95 C VAL A 303 15.466 8.110 -5.855 1.00 55.21 C ATOM 96 O VAL A 303 15.460 8.565 -4.720 1.00 64.33 O ATOM 97 CB VAL A 303 13.489 9.070 -6.945 1.00 31.35 C ATOM 98 CG1 VAL A 303 13.009 9.959 -8.100 1.00 0.51 C ATOM 99 CG2 VAL A 303 12.841 7.668 -6.988 1.00 21.51 C ATOM 0 H VAL A 303 14.718 8.005 -8.888 1.00 60.23 H new ATOM 0 HA VAL A 303 15.439 9.941 -6.975 1.00 1.53 H new ATOM 0 HB VAL A 303 13.192 9.534 -6.004 1.00 31.35 H new ATOM 0 HG11 VAL A 303 11.924 10.059 -8.056 1.00 0.51 H new ATOM 0 HG12 VAL A 303 13.468 10.944 -8.016 1.00 0.51 H new ATOM 0 HG13 VAL A 303 13.293 9.506 -9.050 1.00 0.51 H new ATOM 0 HG21 VAL A 303 11.757 7.766 -6.930 1.00 21.51 H new ATOM 0 HG22 VAL A 303 13.111 7.171 -7.920 1.00 21.51 H new ATOM 0 HG23 VAL A 303 13.197 7.077 -6.145 1.00 21.51 H new ATOM 109 N VAL A 304 15.879 6.872 -6.116 1.00 52.44 N ATOM 110 CA VAL A 304 16.265 5.999 -5.043 1.00 52.14 C ATOM 111 C VAL A 304 17.742 6.190 -4.744 1.00 61.13 C ATOM 112 O VAL A 304 18.117 6.369 -3.599 1.00 1.01 O ATOM 113 CB VAL A 304 15.995 4.521 -5.351 1.00 44.11 C ATOM 114 CG1 VAL A 304 15.530 3.831 -4.057 1.00 12.12 C ATOM 115 CG2 VAL A 304 14.924 4.415 -6.467 1.00 53.52 C ATOM 0 H VAL A 304 15.950 6.468 -7.050 1.00 52.44 H new ATOM 0 HA VAL A 304 15.657 6.264 -4.178 1.00 52.14 H new ATOM 0 HB VAL A 304 16.899 4.027 -5.707 1.00 44.11 H new ATOM 0 HG11 VAL A 304 15.333 2.778 -4.257 1.00 12.12 H new ATOM 0 HG12 VAL A 304 16.308 3.917 -3.299 1.00 12.12 H new ATOM 0 HG13 VAL A 304 14.619 4.309 -3.697 1.00 12.12 H new ATOM 0 HG21 VAL A 304 14.731 3.365 -6.687 1.00 53.52 H new ATOM 0 HG22 VAL A 304 14.002 4.891 -6.133 1.00 53.52 H new ATOM 0 HG23 VAL A 304 15.285 4.914 -7.366 1.00 53.52 H new ATOM 125 N CYS A 305 18.616 6.189 -5.784 1.00 63.32 N ATOM 126 CA CYS A 305 20.059 6.229 -5.512 1.00 41.05 C ATOM 127 C CYS A 305 20.556 7.675 -5.511 1.00 43.21 C ATOM 128 O CYS A 305 21.332 8.059 -4.656 1.00 62.24 O ATOM 129 CB CYS A 305 20.930 5.325 -6.470 1.00 12.01 C ATOM 130 SG CYS A 305 20.695 5.659 -8.257 1.00 4.10 S ATOM 0 H CYS A 305 18.355 6.162 -6.770 1.00 63.32 H new ATOM 0 HA CYS A 305 20.191 5.795 -4.521 1.00 41.05 H new ATOM 0 HB2 CYS A 305 21.982 5.465 -6.223 1.00 12.01 H new ATOM 0 HB3 CYS A 305 20.694 4.279 -6.275 1.00 12.01 H new ATOM 0 HG CYS A 305 19.483 5.340 -8.602 1.00 4.10 H new ATOM 135 N LEU A 306 20.142 8.469 -6.547 1.00 53.52 N ATOM 136 CA LEU A 306 20.460 9.913 -6.665 1.00 3.23 C ATOM 137 C LEU A 306 21.849 10.046 -7.233 1.00 5.21 C ATOM 138 O LEU A 306 22.488 11.087 -7.120 1.00 41.44 O ATOM 139 CB LEU A 306 20.359 10.779 -5.356 1.00 40.53 C ATOM 140 CG LEU A 306 18.922 10.966 -4.802 1.00 54.35 C ATOM 141 CD1 LEU A 306 17.907 11.377 -5.876 1.00 61.24 C ATOM 142 CD2 LEU A 306 18.436 9.770 -3.966 1.00 13.34 C ATOM 0 H LEU A 306 19.578 8.116 -7.320 1.00 53.52 H new ATOM 0 HA LEU A 306 19.682 10.318 -7.312 1.00 3.23 H new ATOM 0 HB2 LEU A 306 20.972 10.315 -4.583 1.00 40.53 H new ATOM 0 HB3 LEU A 306 20.786 11.762 -5.555 1.00 40.53 H new ATOM 0 HG LEU A 306 18.991 11.809 -4.115 1.00 54.35 H new ATOM 0 HD11 LEU A 306 16.923 11.491 -5.422 1.00 61.24 H new ATOM 0 HD12 LEU A 306 18.212 12.323 -6.322 1.00 61.24 H new ATOM 0 HD13 LEU A 306 17.864 10.609 -6.648 1.00 61.24 H new ATOM 0 HD21 LEU A 306 17.425 9.963 -3.608 1.00 13.34 H new ATOM 0 HD22 LEU A 306 18.437 8.871 -4.582 1.00 13.34 H new ATOM 0 HD23 LEU A 306 19.101 9.627 -3.114 1.00 13.34 H new ATOM 154 N SER A 307 22.332 8.977 -7.861 1.00 32.34 N ATOM 155 CA SER A 307 23.637 8.973 -8.468 1.00 55.11 C ATOM 156 C SER A 307 23.409 8.845 -9.941 1.00 41.01 C ATOM 157 O SER A 307 23.720 9.744 -10.717 1.00 35.33 O ATOM 158 CB SER A 307 24.492 7.767 -7.996 1.00 0.31 C ATOM 159 OG SER A 307 23.641 6.740 -7.459 1.00 34.14 O ATOM 0 H SER A 307 21.823 8.098 -7.957 1.00 32.34 H new ATOM 0 HA SER A 307 24.174 9.881 -8.195 1.00 55.11 H new ATOM 0 HB2 SER A 307 25.070 7.372 -8.831 1.00 0.31 H new ATOM 0 HB3 SER A 307 25.206 8.091 -7.239 1.00 0.31 H new ATOM 0 HG SER A 307 22.883 6.595 -8.063 1.00 34.14 H new ATOM 165 N SER A 308 22.731 7.751 -10.331 1.00 61.13 N ATOM 166 CA SER A 308 22.527 7.463 -11.725 1.00 35.51 C ATOM 167 C SER A 308 21.237 8.097 -12.087 1.00 24.53 C ATOM 168 O SER A 308 20.372 8.320 -11.208 1.00 72.34 O ATOM 169 CB SER A 308 22.418 5.949 -12.048 1.00 4.12 C ATOM 170 OG SER A 308 21.682 5.255 -11.023 1.00 60.11 O ATOM 0 H SER A 308 22.325 7.068 -9.691 1.00 61.13 H new ATOM 0 HA SER A 308 23.386 7.837 -12.281 1.00 35.51 H new ATOM 0 HB2 SER A 308 21.924 5.813 -13.010 1.00 4.12 H new ATOM 0 HB3 SER A 308 23.416 5.520 -12.138 1.00 4.12 H new ATOM 0 HG SER A 308 21.287 5.906 -10.406 1.00 60.11 H new ATOM 176 N PHE A 309 21.044 8.365 -13.375 1.00 52.35 N ATOM 177 CA PHE A 309 19.820 8.949 -13.840 1.00 15.31 C ATOM 178 C PHE A 309 18.765 7.876 -13.842 1.00 53.04 C ATOM 179 O PHE A 309 19.047 6.678 -13.663 1.00 11.05 O ATOM 180 CB PHE A 309 19.914 9.520 -15.279 1.00 5.01 C ATOM 181 CG PHE A 309 21.012 10.529 -15.462 1.00 44.54 C ATOM 182 CD1 PHE A 309 22.054 10.287 -16.334 1.00 3.12 C ATOM 183 CD2 PHE A 309 21.001 11.716 -14.753 1.00 33.21 C ATOM 184 CE1 PHE A 309 23.058 11.208 -16.492 1.00 54.11 C ATOM 185 CE2 PHE A 309 22.008 12.635 -14.916 1.00 40.42 C ATOM 186 CZ PHE A 309 23.036 12.381 -15.783 1.00 60.35 C ATOM 0 H PHE A 309 21.731 8.181 -14.107 1.00 52.35 H new ATOM 0 HA PHE A 309 19.585 9.779 -13.173 1.00 15.31 H new ATOM 0 HB2 PHE A 309 20.070 8.697 -15.977 1.00 5.01 H new ATOM 0 HB3 PHE A 309 18.962 9.982 -15.539 1.00 5.01 H new ATOM 0 HD1 PHE A 309 22.079 9.365 -16.896 1.00 3.12 H new ATOM 0 HD2 PHE A 309 20.194 11.922 -14.066 1.00 33.21 H new ATOM 0 HE1 PHE A 309 23.869 11.008 -17.177 1.00 54.11 H new ATOM 0 HE2 PHE A 309 21.989 13.560 -14.359 1.00 40.42 H new ATOM 0 HZ PHE A 309 23.829 13.104 -15.908 1.00 60.35 H new ATOM 196 N LYS A 310 17.502 8.299 -13.936 1.00 32.30 N ATOM 197 CA LYS A 310 16.411 7.384 -14.031 1.00 34.31 C ATOM 198 C LYS A 310 16.348 6.921 -15.452 1.00 32.34 C ATOM 199 O LYS A 310 16.269 7.724 -16.380 1.00 3.50 O ATOM 200 CB LYS A 310 15.041 7.990 -13.630 1.00 2.30 C ATOM 201 CG LYS A 310 14.816 9.438 -14.090 1.00 31.25 C ATOM 202 CD LYS A 310 13.541 9.605 -14.890 1.00 21.25 C ATOM 203 CE LYS A 310 13.024 11.035 -14.942 1.00 52.41 C ATOM 204 NZ LYS A 310 12.352 11.379 -13.682 1.00 3.02 N ATOM 0 H LYS A 310 17.230 9.282 -13.947 1.00 32.30 H new ATOM 0 HA LYS A 310 16.592 6.571 -13.328 1.00 34.31 H new ATOM 0 HB2 LYS A 310 14.249 7.366 -14.043 1.00 2.30 H new ATOM 0 HB3 LYS A 310 14.946 7.950 -12.545 1.00 2.30 H new ATOM 0 HG2 LYS A 310 14.781 10.091 -13.218 1.00 31.25 H new ATOM 0 HG3 LYS A 310 15.664 9.759 -14.695 1.00 31.25 H new ATOM 0 HD2 LYS A 310 13.715 9.255 -15.908 1.00 21.25 H new ATOM 0 HD3 LYS A 310 12.769 8.966 -14.461 1.00 21.25 H new ATOM 0 HE2 LYS A 310 13.851 11.722 -15.120 1.00 52.41 H new ATOM 0 HE3 LYS A 310 12.330 11.148 -15.775 1.00 52.41 H new ATOM 0 HZ1 LYS A 310 11.803 12.253 -13.809 1.00 3.02 H new ATOM 0 HZ2 LYS A 310 11.713 10.606 -13.407 1.00 3.02 H new ATOM 0 HZ3 LYS A 310 13.063 11.522 -12.937 1.00 3.02 H new ATOM 218 N SER A 311 16.400 5.606 -15.634 1.00 11.14 N ATOM 219 CA SER A 311 16.403 5.018 -16.933 1.00 22.54 C ATOM 220 C SER A 311 15.363 3.931 -16.914 1.00 32.23 C ATOM 221 O SER A 311 15.522 2.908 -17.553 1.00 4.30 O ATOM 222 CB SER A 311 17.794 4.390 -17.310 1.00 2.43 C ATOM 223 OG SER A 311 18.818 4.844 -16.402 1.00 54.22 O ATOM 0 H SER A 311 16.441 4.931 -14.870 1.00 11.14 H new ATOM 0 HA SER A 311 16.195 5.788 -17.675 1.00 22.54 H new ATOM 0 HB2 SER A 311 17.729 3.302 -17.279 1.00 2.43 H new ATOM 0 HB3 SER A 311 18.058 4.664 -18.331 1.00 2.43 H new ATOM 0 HG SER A 311 19.677 4.442 -16.650 1.00 54.22 H new ATOM 229 N CYS A 312 14.256 4.148 -16.181 1.00 60.44 N ATOM 230 CA CYS A 312 13.231 3.133 -16.096 1.00 23.43 C ATOM 231 C CYS A 312 11.937 3.812 -15.821 1.00 41.45 C ATOM 232 O CYS A 312 11.790 4.566 -14.815 1.00 72.14 O ATOM 233 CB CYS A 312 13.440 2.077 -14.972 1.00 35.42 C ATOM 234 SG CYS A 312 14.663 0.801 -15.402 1.00 32.40 S ATOM 0 H CYS A 312 14.065 5.001 -15.656 1.00 60.44 H new ATOM 0 HA CYS A 312 13.261 2.596 -17.044 1.00 23.43 H new ATOM 0 HB2 CYS A 312 13.759 2.584 -14.061 1.00 35.42 H new ATOM 0 HB3 CYS A 312 12.486 1.597 -14.752 1.00 35.42 H new ATOM 0 HG CYS A 312 15.340 1.182 -16.444 1.00 32.40 H new ATOM 240 N VAL A 313 10.972 3.563 -16.724 1.00 23.14 N ATOM 241 CA VAL A 313 9.634 4.012 -16.566 1.00 42.01 C ATOM 242 C VAL A 313 8.948 2.822 -15.983 1.00 22.21 C ATOM 243 O VAL A 313 9.095 1.704 -16.486 1.00 72.23 O ATOM 244 CB VAL A 313 8.934 4.352 -17.885 1.00 21.50 C ATOM 245 CG1 VAL A 313 7.582 5.028 -17.586 1.00 43.32 C ATOM 246 CG2 VAL A 313 9.843 5.240 -18.761 1.00 23.42 C ATOM 0 H VAL A 313 11.131 3.036 -17.583 1.00 23.14 H new ATOM 0 HA VAL A 313 9.608 4.925 -15.971 1.00 42.01 H new ATOM 0 HB VAL A 313 8.740 3.439 -18.447 1.00 21.50 H new ATOM 0 HG11 VAL A 313 7.082 5.271 -18.523 1.00 43.32 H new ATOM 0 HG12 VAL A 313 6.956 4.350 -17.006 1.00 43.32 H new ATOM 0 HG13 VAL A 313 7.750 5.942 -17.017 1.00 43.32 H new ATOM 0 HG21 VAL A 313 9.332 5.474 -19.695 1.00 23.42 H new ATOM 0 HG22 VAL A 313 10.069 6.165 -18.230 1.00 23.42 H new ATOM 0 HG23 VAL A 313 10.770 4.710 -18.977 1.00 23.42 H new ATOM 256 N PHE A 314 8.222 3.009 -14.902 1.00 53.34 N ATOM 257 CA PHE A 314 7.542 1.908 -14.292 1.00 71.45 C ATOM 258 C PHE A 314 6.182 1.894 -14.872 1.00 24.23 C ATOM 259 O PHE A 314 5.395 2.861 -14.682 1.00 41.12 O ATOM 260 CB PHE A 314 7.439 2.016 -12.755 1.00 11.23 C ATOM 261 CG PHE A 314 8.729 1.703 -12.033 1.00 73.15 C ATOM 262 CD1 PHE A 314 9.117 2.443 -10.934 1.00 13.03 C ATOM 263 CD2 PHE A 314 9.546 0.656 -12.450 1.00 54.02 C ATOM 264 CE1 PHE A 314 10.285 2.145 -10.273 1.00 25.54 C ATOM 265 CE2 PHE A 314 10.708 0.373 -11.787 1.00 54.21 C ATOM 266 CZ PHE A 314 11.077 1.112 -10.702 1.00 0.53 C ATOM 0 H PHE A 314 8.093 3.908 -14.437 1.00 53.34 H new ATOM 0 HA PHE A 314 8.104 0.995 -14.486 1.00 71.45 H new ATOM 0 HB2 PHE A 314 7.122 3.025 -12.492 1.00 11.23 H new ATOM 0 HB3 PHE A 314 6.663 1.336 -12.404 1.00 11.23 H new ATOM 0 HD1 PHE A 314 8.500 3.260 -10.592 1.00 13.03 H new ATOM 0 HD2 PHE A 314 9.260 0.062 -13.305 1.00 54.02 H new ATOM 0 HE1 PHE A 314 10.580 2.727 -9.412 1.00 25.54 H new ATOM 0 HE2 PHE A 314 11.336 -0.439 -12.124 1.00 54.21 H new ATOM 0 HZ PHE A 314 11.994 0.883 -10.180 1.00 0.53 H new ATOM 276 N LEU A 315 5.834 0.787 -15.584 1.00 41.41 N ATOM 277 CA LEU A 315 4.549 0.703 -16.201 1.00 40.44 C ATOM 278 C LEU A 315 3.633 0.336 -15.107 1.00 63.54 C ATOM 279 O LEU A 315 3.643 -0.781 -14.607 1.00 3.15 O ATOM 280 CB LEU A 315 4.481 -0.437 -17.252 1.00 75.44 C ATOM 281 CG LEU A 315 3.576 -0.149 -18.461 1.00 13.32 C ATOM 282 CD1 LEU A 315 3.944 -1.030 -19.670 1.00 22.15 C ATOM 283 CD2 LEU A 315 2.079 -0.258 -18.108 1.00 54.14 C ATOM 0 H LEU A 315 6.435 -0.026 -15.724 1.00 41.41 H new ATOM 0 HA LEU A 315 4.312 1.640 -16.705 1.00 40.44 H new ATOM 0 HB2 LEU A 315 5.490 -0.640 -17.612 1.00 75.44 H new ATOM 0 HB3 LEU A 315 4.129 -1.344 -16.761 1.00 75.44 H new ATOM 0 HG LEU A 315 3.755 0.887 -18.749 1.00 13.32 H new ATOM 0 HD11 LEU A 315 3.282 -0.797 -20.504 1.00 22.15 H new ATOM 0 HD12 LEU A 315 4.977 -0.836 -19.961 1.00 22.15 H new ATOM 0 HD13 LEU A 315 3.834 -2.081 -19.402 1.00 22.15 H new ATOM 0 HD21 LEU A 315 1.480 -0.046 -18.994 1.00 54.14 H new ATOM 0 HD22 LEU A 315 1.861 -1.266 -17.755 1.00 54.14 H new ATOM 0 HD23 LEU A 315 1.836 0.461 -17.325 1.00 54.14 H new ATOM 295 N GLU A 316 3.006 1.325 -14.585 1.00 75.43 N ATOM 296 CA GLU A 316 1.926 1.184 -13.717 1.00 15.30 C ATOM 297 C GLU A 316 1.067 2.324 -14.075 1.00 13.31 C ATOM 298 O GLU A 316 -0.040 2.236 -14.539 1.00 42.02 O ATOM 299 CB GLU A 316 2.293 1.207 -12.218 1.00 32.43 C ATOM 300 CG GLU A 316 3.816 1.218 -11.958 1.00 3.53 C ATOM 301 CD GLU A 316 4.068 1.658 -10.545 1.00 41.11 C ATOM 302 OE1 GLU A 316 4.813 0.996 -9.841 1.00 20.13 O ATOM 303 OE2 GLU A 316 3.564 2.760 -10.164 1.00 71.34 O ATOM 0 H GLU A 316 3.254 2.297 -14.769 1.00 75.43 H new ATOM 0 HA GLU A 316 1.455 0.208 -13.832 1.00 15.30 H new ATOM 0 HB2 GLU A 316 1.847 2.088 -11.756 1.00 32.43 H new ATOM 0 HB3 GLU A 316 1.855 0.335 -11.731 1.00 32.43 H new ATOM 0 HG2 GLU A 316 4.233 0.225 -12.123 1.00 3.53 H new ATOM 0 HG3 GLU A 316 4.312 1.892 -12.656 1.00 3.53 H new ATOM 310 N CYS A 317 1.719 3.466 -13.810 1.00 53.42 N ATOM 311 CA CYS A 317 1.186 4.795 -13.856 1.00 43.05 C ATOM 312 C CYS A 317 1.999 5.587 -14.866 1.00 2.30 C ATOM 313 O CYS A 317 1.609 6.671 -15.243 1.00 52.42 O ATOM 314 CB CYS A 317 1.455 5.462 -12.483 1.00 31.35 C ATOM 315 SG CYS A 317 3.141 4.935 -11.922 1.00 24.30 S ATOM 0 H CYS A 317 2.703 3.461 -13.540 1.00 53.42 H new ATOM 0 HA CYS A 317 0.125 4.771 -14.105 1.00 43.05 H new ATOM 0 HB2 CYS A 317 1.402 6.547 -12.568 1.00 31.35 H new ATOM 0 HB3 CYS A 317 0.699 5.162 -11.757 1.00 31.35 H new ATOM 0 HG CYS A 317 3.035 3.902 -11.139 1.00 24.30 H new ATOM 320 N GLY A 318 3.185 5.060 -15.313 1.00 52.45 N ATOM 321 CA GLY A 318 4.014 5.826 -16.235 1.00 33.10 C ATOM 322 C GLY A 318 4.928 6.754 -15.482 1.00 72.43 C ATOM 323 O GLY A 318 5.340 7.772 -16.009 1.00 4.22 O ATOM 0 H GLY A 318 3.555 4.147 -15.050 1.00 52.45 H new ATOM 0 HA2 GLY A 318 4.604 5.147 -16.851 1.00 33.10 H new ATOM 0 HA3 GLY A 318 3.380 6.401 -16.910 1.00 33.10 H new ATOM 327 N HIS A 319 5.270 6.440 -14.211 1.00 34.30 N ATOM 328 CA HIS A 319 6.207 7.296 -13.474 1.00 21.20 C ATOM 329 C HIS A 319 7.574 6.869 -13.931 1.00 62.21 C ATOM 330 O HIS A 319 7.848 5.667 -13.990 1.00 54.24 O ATOM 331 CB HIS A 319 6.151 7.116 -11.920 1.00 11.44 C ATOM 332 CG HIS A 319 5.368 8.197 -11.147 1.00 55.21 C ATOM 333 ND1 HIS A 319 4.522 7.828 -10.094 1.00 71.11 N ATOM 334 CD2 HIS A 319 5.357 9.548 -11.299 1.00 41.04 C ATOM 335 CE1 HIS A 319 4.024 8.960 -9.642 1.00 32.43 C ATOM 336 NE2 HIS A 319 4.495 10.030 -10.331 1.00 24.34 N ATOM 0 H HIS A 319 4.923 5.631 -13.697 1.00 34.30 H new ATOM 0 HA HIS A 319 5.957 8.338 -13.672 1.00 21.20 H new ATOM 0 HB2 HIS A 319 5.706 6.145 -11.701 1.00 11.44 H new ATOM 0 HB3 HIS A 319 7.172 7.091 -11.539 1.00 11.44 H new ATOM 0 HD1 HIS A 319 4.333 6.886 -9.751 1.00 71.11 H new ATOM 0 HD2 HIS A 319 5.908 10.126 -12.026 1.00 41.04 H new ATOM 0 HE1 HIS A 319 3.325 9.029 -8.822 1.00 32.43 H new ATOM 344 N VAL A 320 8.465 7.826 -14.183 1.00 23.20 N ATOM 345 CA VAL A 320 9.810 7.511 -14.609 1.00 11.20 C ATOM 346 C VAL A 320 10.625 7.913 -13.437 1.00 73.52 C ATOM 347 O VAL A 320 10.636 9.094 -13.077 1.00 5.12 O ATOM 348 CB VAL A 320 10.269 8.303 -15.836 1.00 73.32 C ATOM 349 CG1 VAL A 320 11.375 7.506 -16.552 1.00 52.12 C ATOM 350 CG2 VAL A 320 9.052 8.549 -16.757 1.00 42.11 C ATOM 0 H VAL A 320 8.271 8.824 -14.097 1.00 23.20 H new ATOM 0 HA VAL A 320 9.894 6.465 -14.904 1.00 11.20 H new ATOM 0 HB VAL A 320 10.677 9.272 -15.549 1.00 73.32 H new ATOM 0 HG11 VAL A 320 11.712 8.059 -17.429 1.00 52.12 H new ATOM 0 HG12 VAL A 320 12.214 7.357 -15.872 1.00 52.12 H new ATOM 0 HG13 VAL A 320 10.983 6.537 -16.862 1.00 52.12 H new ATOM 0 HG21 VAL A 320 9.368 9.113 -17.635 1.00 42.11 H new ATOM 0 HG22 VAL A 320 8.634 7.593 -17.071 1.00 42.11 H new ATOM 0 HG23 VAL A 320 8.294 9.115 -16.215 1.00 42.11 H new ATOM 360 N CYS A 321 11.289 6.953 -12.742 1.00 65.43 N ATOM 361 CA CYS A 321 11.950 7.383 -11.517 1.00 0.22 C ATOM 362 C CYS A 321 13.113 6.497 -11.142 1.00 51.53 C ATOM 363 O CYS A 321 13.973 6.920 -10.345 1.00 51.33 O ATOM 364 CB CYS A 321 10.975 7.435 -10.306 1.00 24.13 C ATOM 365 SG CYS A 321 9.606 6.221 -10.448 1.00 22.10 S ATOM 0 H CYS A 321 11.371 5.967 -12.990 1.00 65.43 H new ATOM 0 HA CYS A 321 12.316 8.386 -11.737 1.00 0.22 H new ATOM 0 HB2 CYS A 321 11.531 7.244 -9.388 1.00 24.13 H new ATOM 0 HB3 CYS A 321 10.558 8.439 -10.223 1.00 24.13 H new ATOM 0 HG CYS A 321 9.964 5.098 -9.900 1.00 22.10 H new ATOM 371 N SER A 322 13.217 5.263 -11.671 1.00 34.11 N ATOM 372 CA SER A 322 14.265 4.389 -11.188 1.00 22.42 C ATOM 373 C SER A 322 15.242 4.156 -12.269 1.00 62.14 C ATOM 374 O SER A 322 15.110 4.643 -13.354 1.00 5.32 O ATOM 375 CB SER A 322 13.795 3.029 -10.615 1.00 51.01 C ATOM 376 OG SER A 322 14.769 2.542 -9.651 1.00 44.43 O ATOM 0 H SER A 322 12.614 4.876 -12.397 1.00 34.11 H new ATOM 0 HA SER A 322 14.709 4.914 -10.342 1.00 22.42 H new ATOM 0 HB2 SER A 322 12.821 3.141 -10.138 1.00 51.01 H new ATOM 0 HB3 SER A 322 13.674 2.306 -11.421 1.00 51.01 H new ATOM 0 HG SER A 322 14.469 1.682 -9.289 1.00 44.43 H new ATOM 382 N CYS A 323 16.285 3.401 -11.933 1.00 5.25 N ATOM 383 CA CYS A 323 17.356 3.113 -12.836 1.00 1.21 C ATOM 384 C CYS A 323 17.426 1.631 -12.811 1.00 1.33 C ATOM 385 O CYS A 323 17.142 1.039 -11.761 1.00 5.33 O ATOM 386 CB CYS A 323 18.745 3.778 -12.427 1.00 11.13 C ATOM 387 SG CYS A 323 19.714 2.913 -11.121 1.00 60.31 S ATOM 0 H CYS A 323 16.396 2.975 -11.013 1.00 5.25 H new ATOM 0 HA CYS A 323 17.170 3.529 -13.826 1.00 1.21 H new ATOM 0 HB2 CYS A 323 19.365 3.851 -13.320 1.00 11.13 H new ATOM 0 HB3 CYS A 323 18.550 4.796 -12.090 1.00 11.13 H new ATOM 0 HG CYS A 323 20.730 3.647 -10.776 1.00 60.31 H new ATOM 392 N THR A 324 17.809 1.017 -13.929 1.00 73.12 N ATOM 393 CA THR A 324 17.809 -0.426 -14.100 1.00 14.10 C ATOM 394 C THR A 324 18.579 -1.119 -12.992 1.00 0.50 C ATOM 395 O THR A 324 18.077 -2.068 -12.410 1.00 11.40 O ATOM 396 CB THR A 324 18.384 -0.838 -15.442 1.00 24.21 C ATOM 397 OG1 THR A 324 18.120 0.190 -16.416 1.00 40.33 O ATOM 398 CG2 THR A 324 17.735 -2.162 -15.871 1.00 22.34 C ATOM 0 H THR A 324 18.133 1.522 -14.754 1.00 73.12 H new ATOM 0 HA THR A 324 16.765 -0.737 -14.057 1.00 14.10 H new ATOM 0 HB THR A 324 19.463 -0.973 -15.364 1.00 24.21 H new ATOM 0 HG1 THR A 324 17.189 0.486 -16.335 1.00 40.33 H new ATOM 0 HG21 THR A 324 18.140 -2.470 -16.835 1.00 22.34 H new ATOM 0 HG22 THR A 324 17.947 -2.929 -15.127 1.00 22.34 H new ATOM 0 HG23 THR A 324 16.657 -2.028 -15.956 1.00 22.34 H new ATOM 406 N GLU A 325 19.784 -0.606 -12.620 1.00 32.31 N ATOM 407 CA GLU A 325 20.610 -1.290 -11.616 1.00 3.13 C ATOM 408 C GLU A 325 19.879 -1.318 -10.295 1.00 73.11 C ATOM 409 O GLU A 325 19.969 -2.264 -9.567 1.00 53.33 O ATOM 410 CB GLU A 325 21.959 -0.598 -11.353 1.00 13.20 C ATOM 411 CG GLU A 325 22.798 -0.308 -12.630 1.00 20.24 C ATOM 412 CD GLU A 325 23.378 1.108 -12.538 1.00 23.20 C ATOM 413 OE1 GLU A 325 22.658 2.021 -12.020 1.00 0.43 O ATOM 414 OE2 GLU A 325 24.535 1.305 -12.982 1.00 1.21 O ATOM 0 H GLU A 325 20.186 0.254 -12.994 1.00 32.31 H new ATOM 0 HA GLU A 325 20.798 -2.285 -12.018 1.00 3.13 H new ATOM 0 HB2 GLU A 325 21.775 0.343 -10.834 1.00 13.20 H new ATOM 0 HB3 GLU A 325 22.548 -1.223 -10.681 1.00 13.20 H new ATOM 0 HG2 GLU A 325 23.602 -1.038 -12.726 1.00 20.24 H new ATOM 0 HG3 GLU A 325 22.174 -0.402 -13.519 1.00 20.24 H new ATOM 421 N CYS A 326 19.118 -0.251 -9.988 1.00 11.31 N ATOM 422 CA CYS A 326 18.402 -0.177 -8.705 1.00 73.35 C ATOM 423 C CYS A 326 17.365 -1.269 -8.682 1.00 74.41 C ATOM 424 O CYS A 326 17.181 -1.941 -7.671 1.00 34.23 O ATOM 425 CB CYS A 326 17.642 1.177 -8.476 1.00 12.13 C ATOM 426 SG CYS A 326 18.545 2.397 -7.468 1.00 12.13 S ATOM 0 H CYS A 326 18.985 0.556 -10.598 1.00 11.31 H new ATOM 0 HA CYS A 326 19.156 -0.273 -7.924 1.00 73.35 H new ATOM 0 HB2 CYS A 326 17.419 1.621 -9.446 1.00 12.13 H new ATOM 0 HB3 CYS A 326 16.687 0.965 -7.996 1.00 12.13 H new ATOM 0 HG CYS A 326 18.336 3.590 -7.940 1.00 12.13 H new ATOM 431 N TYR A 327 16.656 -1.448 -9.814 1.00 1.14 N ATOM 432 CA TYR A 327 15.575 -2.394 -9.864 1.00 53.51 C ATOM 433 C TYR A 327 16.141 -3.795 -9.738 1.00 40.03 C ATOM 434 O TYR A 327 15.956 -4.464 -8.731 1.00 65.21 O ATOM 435 CB TYR A 327 14.781 -2.281 -11.210 1.00 2.03 C ATOM 436 CG TYR A 327 13.527 -3.108 -11.295 1.00 15.30 C ATOM 437 CD1 TYR A 327 13.537 -4.335 -11.928 1.00 15.14 C ATOM 438 CD2 TYR A 327 12.347 -2.657 -10.743 1.00 22.40 C ATOM 439 CE1 TYR A 327 12.390 -5.091 -11.999 1.00 25.31 C ATOM 440 CE2 TYR A 327 11.209 -3.411 -10.818 1.00 42.42 C ATOM 441 CZ TYR A 327 11.225 -4.623 -11.440 1.00 12.12 C ATOM 442 OH TYR A 327 10.047 -5.390 -11.500 1.00 32.23 O ATOM 0 H TYR A 327 16.826 -0.946 -10.686 1.00 1.14 H new ATOM 0 HA TYR A 327 14.890 -2.180 -9.044 1.00 53.51 H new ATOM 0 HB2 TYR A 327 14.517 -1.235 -11.369 1.00 2.03 H new ATOM 0 HB3 TYR A 327 15.442 -2.571 -12.027 1.00 2.03 H new ATOM 0 HD1 TYR A 327 14.451 -4.703 -12.370 1.00 15.14 H new ATOM 0 HD2 TYR A 327 12.321 -1.698 -10.246 1.00 22.40 H new ATOM 0 HE1 TYR A 327 12.405 -6.051 -12.493 1.00 25.31 H new ATOM 0 HE2 TYR A 327 10.292 -3.044 -10.382 1.00 42.42 H new ATOM 0 HH TYR A 327 9.320 -4.908 -11.054 1.00 32.23 H new ATOM 452 N ARG A 328 16.972 -4.189 -10.723 1.00 14.23 N ATOM 453 CA ARG A 328 17.416 -5.568 -10.846 1.00 1.44 C ATOM 454 C ARG A 328 18.324 -5.973 -9.712 1.00 2.01 C ATOM 455 O ARG A 328 18.569 -7.162 -9.500 1.00 33.14 O ATOM 456 CB ARG A 328 18.104 -5.864 -12.180 1.00 60.12 C ATOM 457 CG ARG A 328 19.244 -4.899 -12.524 1.00 4.13 C ATOM 458 CD ARG A 328 20.488 -5.613 -13.026 1.00 42.02 C ATOM 459 NE ARG A 328 20.089 -6.455 -14.207 1.00 74.14 N ATOM 460 CZ ARG A 328 20.009 -5.924 -15.477 1.00 61.41 C ATOM 461 NH1 ARG A 328 20.344 -4.612 -15.704 1.00 40.03 N ATOM 462 NH2 ARG A 328 19.599 -6.720 -16.517 1.00 74.14 N ATOM 0 H ARG A 328 17.342 -3.563 -11.438 1.00 14.23 H new ATOM 0 HA ARG A 328 16.504 -6.163 -10.803 1.00 1.44 H new ATOM 0 HB2 ARG A 328 18.497 -6.880 -12.156 1.00 60.12 H new ATOM 0 HB3 ARG A 328 17.360 -5.829 -12.976 1.00 60.12 H new ATOM 0 HG2 ARG A 328 18.902 -4.196 -13.284 1.00 4.13 H new ATOM 0 HG3 ARG A 328 19.498 -4.314 -11.640 1.00 4.13 H new ATOM 0 HD2 ARG A 328 21.253 -4.892 -13.312 1.00 42.02 H new ATOM 0 HD3 ARG A 328 20.915 -6.236 -12.240 1.00 42.02 H new ATOM 0 HE ARG A 328 19.873 -7.442 -14.065 1.00 74.14 H new ATOM 0 HH11 ARG A 328 20.654 -4.024 -14.931 1.00 40.03 H new ATOM 0 HH12 ARG A 328 20.283 -4.226 -16.646 1.00 40.03 H new ATOM 0 HH21 ARG A 328 19.356 -7.696 -16.347 1.00 74.14 H new ATOM 0 HH22 ARG A 328 19.537 -6.336 -17.460 1.00 74.14 H new ATOM 476 N ALA A 329 18.890 -5.007 -8.998 1.00 34.12 N ATOM 477 CA ALA A 329 19.722 -5.338 -7.868 1.00 32.33 C ATOM 478 C ALA A 329 18.827 -5.757 -6.742 1.00 20.24 C ATOM 479 O ALA A 329 19.049 -6.776 -6.117 1.00 24.43 O ATOM 480 CB ALA A 329 20.573 -4.159 -7.356 1.00 35.35 C ATOM 0 H ALA A 329 18.786 -4.009 -9.183 1.00 34.12 H new ATOM 0 HA ALA A 329 20.404 -6.122 -8.197 1.00 32.33 H new ATOM 0 HB1 ALA A 329 21.172 -4.485 -6.505 1.00 35.35 H new ATOM 0 HB2 ALA A 329 21.232 -3.813 -8.152 1.00 35.35 H new ATOM 0 HB3 ALA A 329 19.918 -3.344 -7.048 1.00 35.35 H new ATOM 486 N LEU A 330 17.854 -4.911 -6.427 1.00 55.31 N ATOM 487 CA LEU A 330 16.942 -5.125 -5.293 1.00 12.04 C ATOM 488 C LEU A 330 15.861 -6.114 -5.684 1.00 34.21 C ATOM 489 O LEU A 330 15.030 -5.778 -6.497 1.00 64.45 O ATOM 490 CB LEU A 330 16.255 -3.783 -4.907 1.00 2.21 C ATOM 491 CG LEU A 330 15.206 -3.847 -3.785 1.00 11.05 C ATOM 492 CD1 LEU A 330 15.646 -4.709 -2.592 1.00 21.32 C ATOM 493 CD2 LEU A 330 14.770 -2.442 -3.339 1.00 35.24 C ATOM 0 H LEU A 330 17.669 -4.053 -6.947 1.00 55.31 H new ATOM 0 HA LEU A 330 17.518 -5.509 -4.451 1.00 12.04 H new ATOM 0 HB2 LEU A 330 17.030 -3.076 -4.610 1.00 2.21 H new ATOM 0 HB3 LEU A 330 15.777 -3.376 -5.798 1.00 2.21 H new ATOM 0 HG LEU A 330 14.337 -4.347 -4.212 1.00 11.05 H new ATOM 0 HD11 LEU A 330 14.861 -4.712 -1.836 1.00 21.32 H new ATOM 0 HD12 LEU A 330 15.830 -5.729 -2.928 1.00 21.32 H new ATOM 0 HD13 LEU A 330 16.560 -4.298 -2.164 1.00 21.32 H new ATOM 0 HD21 LEU A 330 14.028 -2.526 -2.545 1.00 35.24 H new ATOM 0 HD22 LEU A 330 15.636 -1.892 -2.970 1.00 35.24 H new ATOM 0 HD23 LEU A 330 14.336 -1.910 -4.186 1.00 35.24 H new ATOM 505 N PRO A 331 15.813 -7.354 -5.148 1.00 43.45 N ATOM 506 CA PRO A 331 14.656 -8.169 -5.447 1.00 14.23 C ATOM 507 C PRO A 331 13.619 -8.112 -4.354 1.00 32.41 C ATOM 508 O PRO A 331 13.825 -8.575 -3.225 1.00 72.24 O ATOM 509 CB PRO A 331 15.269 -9.584 -5.499 1.00 20.10 C ATOM 510 CG PRO A 331 16.520 -9.516 -4.582 1.00 42.23 C ATOM 511 CD PRO A 331 16.766 -8.018 -4.277 1.00 11.40 C ATOM 0 HA PRO A 331 14.142 -7.850 -6.354 1.00 14.23 H new ATOM 0 HB2 PRO A 331 14.561 -10.334 -5.145 1.00 20.10 H new ATOM 0 HB3 PRO A 331 15.541 -9.859 -6.518 1.00 20.10 H new ATOM 0 HG2 PRO A 331 16.356 -10.077 -3.662 1.00 42.23 H new ATOM 0 HG3 PRO A 331 17.386 -9.958 -5.075 1.00 42.23 H new ATOM 0 HD2 PRO A 331 16.587 -7.784 -3.228 1.00 11.40 H new ATOM 0 HD3 PRO A 331 17.791 -7.723 -4.499 1.00 11.40 H new ATOM 519 N GLU A 332 12.498 -7.529 -4.688 1.00 4.04 N ATOM 520 CA GLU A 332 11.283 -7.557 -3.929 1.00 11.33 C ATOM 521 C GLU A 332 10.290 -7.414 -5.003 1.00 1.43 C ATOM 522 O GLU A 332 10.672 -7.323 -6.168 1.00 51.41 O ATOM 523 CB GLU A 332 11.131 -6.388 -2.910 1.00 42.54 C ATOM 524 CG GLU A 332 12.159 -5.284 -3.099 1.00 31.41 C ATOM 525 CD GLU A 332 11.715 -4.072 -2.314 1.00 12.14 C ATOM 526 OE1 GLU A 332 12.346 -3.774 -1.272 1.00 22.30 O ATOM 527 OE2 GLU A 332 10.728 -3.418 -2.746 1.00 13.13 O ATOM 0 H GLU A 332 12.407 -6.991 -5.550 1.00 4.04 H new ATOM 0 HA GLU A 332 11.206 -8.448 -3.306 1.00 11.33 H new ATOM 0 HB2 GLU A 332 10.131 -5.963 -3.002 1.00 42.54 H new ATOM 0 HB3 GLU A 332 11.217 -6.784 -1.898 1.00 42.54 H new ATOM 0 HG2 GLU A 332 13.139 -5.617 -2.758 1.00 31.41 H new ATOM 0 HG3 GLU A 332 12.257 -5.035 -4.156 1.00 31.41 H new ATOM 534 N PRO A 333 9.016 -7.418 -4.694 1.00 43.41 N ATOM 535 CA PRO A 333 8.118 -6.763 -5.594 1.00 0.21 C ATOM 536 C PRO A 333 8.212 -5.300 -5.222 1.00 55.03 C ATOM 537 O PRO A 333 7.930 -4.933 -4.077 1.00 73.34 O ATOM 538 CB PRO A 333 6.726 -7.325 -5.256 1.00 53.41 C ATOM 539 CG PRO A 333 6.886 -8.121 -3.944 1.00 33.34 C ATOM 540 CD PRO A 333 8.365 -8.045 -3.540 1.00 61.22 C ATOM 0 HA PRO A 333 8.326 -6.903 -6.655 1.00 0.21 H new ATOM 0 HB2 PRO A 333 6.001 -6.520 -5.136 1.00 53.41 H new ATOM 0 HB3 PRO A 333 6.361 -7.967 -6.058 1.00 53.41 H new ATOM 0 HG2 PRO A 333 6.252 -7.703 -3.162 1.00 33.34 H new ATOM 0 HG3 PRO A 333 6.579 -9.157 -4.084 1.00 33.34 H new ATOM 0 HD2 PRO A 333 8.502 -7.454 -2.635 1.00 61.22 H new ATOM 0 HD3 PRO A 333 8.775 -9.035 -3.339 1.00 61.22 H new ATOM 548 N LYS A 334 8.609 -4.445 -6.155 1.00 63.34 N ATOM 549 CA LYS A 334 8.867 -3.074 -5.802 1.00 42.33 C ATOM 550 C LYS A 334 7.638 -2.269 -5.994 1.00 74.32 C ATOM 551 O LYS A 334 6.747 -2.613 -6.792 1.00 41.42 O ATOM 552 CB LYS A 334 10.009 -2.437 -6.622 1.00 1.23 C ATOM 553 CG LYS A 334 11.402 -2.807 -6.106 1.00 33.31 C ATOM 554 CD LYS A 334 12.309 -3.353 -7.192 1.00 65.11 C ATOM 555 CE LYS A 334 12.105 -4.839 -7.436 1.00 3.41 C ATOM 556 NZ LYS A 334 13.030 -5.316 -8.471 1.00 42.02 N ATOM 0 H LYS A 334 8.754 -4.678 -7.137 1.00 63.34 H new ATOM 0 HA LYS A 334 9.177 -3.078 -4.757 1.00 42.33 H new ATOM 0 HB2 LYS A 334 9.919 -2.750 -7.662 1.00 1.23 H new ATOM 0 HB3 LYS A 334 9.899 -1.353 -6.605 1.00 1.23 H new ATOM 0 HG2 LYS A 334 11.865 -1.926 -5.662 1.00 33.31 H new ATOM 0 HG3 LYS A 334 11.305 -3.549 -5.314 1.00 33.31 H new ATOM 0 HD2 LYS A 334 12.127 -2.809 -8.119 1.00 65.11 H new ATOM 0 HD3 LYS A 334 13.348 -3.174 -6.916 1.00 65.11 H new ATOM 0 HE2 LYS A 334 12.267 -5.392 -6.511 1.00 3.41 H new ATOM 0 HE3 LYS A 334 11.076 -5.026 -7.744 1.00 3.41 H new ATOM 0 HZ1 LYS A 334 12.684 -6.217 -8.858 1.00 42.02 H new ATOM 0 HZ2 LYS A 334 13.090 -4.612 -9.234 1.00 42.02 H new ATOM 0 HZ3 LYS A 334 13.973 -5.457 -8.056 1.00 42.02 H new ATOM 570 N LYS A 335 7.566 -1.173 -5.228 1.00 53.21 N ATOM 571 CA LYS A 335 6.488 -0.255 -5.319 1.00 2.12 C ATOM 572 C LYS A 335 7.056 0.973 -5.944 1.00 32.14 C ATOM 573 O LYS A 335 8.243 1.249 -5.833 1.00 5.11 O ATOM 574 CB LYS A 335 5.878 0.136 -3.944 1.00 11.43 C ATOM 575 CG LYS A 335 5.527 -1.074 -3.062 1.00 64.11 C ATOM 576 CD LYS A 335 4.271 -1.836 -3.533 1.00 32.13 C ATOM 577 CE LYS A 335 4.512 -3.329 -3.852 1.00 3.03 C ATOM 578 NZ LYS A 335 5.421 -3.951 -2.852 1.00 3.33 N ATOM 0 H LYS A 335 8.270 -0.922 -4.534 1.00 53.21 H new ATOM 0 HA LYS A 335 5.682 -0.717 -5.889 1.00 2.12 H new ATOM 0 HB2 LYS A 335 6.584 0.772 -3.410 1.00 11.43 H new ATOM 0 HB3 LYS A 335 4.978 0.728 -4.110 1.00 11.43 H new ATOM 0 HG2 LYS A 335 6.374 -1.760 -3.047 1.00 64.11 H new ATOM 0 HG3 LYS A 335 5.373 -0.734 -2.038 1.00 64.11 H new ATOM 0 HD2 LYS A 335 3.505 -1.761 -2.761 1.00 32.13 H new ATOM 0 HD3 LYS A 335 3.876 -1.346 -4.423 1.00 32.13 H new ATOM 0 HE2 LYS A 335 3.560 -3.860 -3.862 1.00 3.03 H new ATOM 0 HE3 LYS A 335 4.942 -3.426 -4.849 1.00 3.03 H new ATOM 0 HZ1 LYS A 335 5.047 -4.881 -2.575 1.00 3.33 H new ATOM 0 HZ2 LYS A 335 6.367 -4.068 -3.268 1.00 3.33 H new ATOM 0 HZ3 LYS A 335 5.485 -3.339 -2.013 1.00 3.33 H new ATOM 592 N CYS A 336 6.197 1.724 -6.636 1.00 61.41 N ATOM 593 CA CYS A 336 6.551 2.985 -7.268 1.00 71.43 C ATOM 594 C CYS A 336 7.041 3.911 -6.169 1.00 61.25 C ATOM 595 O CYS A 336 6.286 4.235 -5.296 1.00 34.14 O ATOM 596 CB CYS A 336 5.314 3.661 -7.914 1.00 32.33 C ATOM 597 SG CYS A 336 5.720 4.730 -9.344 1.00 64.11 S ATOM 0 H CYS A 336 5.220 1.464 -6.772 1.00 61.41 H new ATOM 0 HA CYS A 336 7.298 2.799 -8.040 1.00 71.43 H new ATOM 0 HB2 CYS A 336 4.616 2.888 -8.236 1.00 32.33 H new ATOM 0 HB3 CYS A 336 4.802 4.258 -7.159 1.00 32.33 H new ATOM 0 HG CYS A 336 4.759 4.670 -10.217 1.00 64.11 H new ATOM 602 N PRO A 337 8.262 4.400 -6.240 1.00 34.42 N ATOM 603 CA PRO A 337 8.789 5.287 -5.189 1.00 21.33 C ATOM 604 C PRO A 337 8.034 6.591 -5.041 1.00 73.22 C ATOM 605 O PRO A 337 8.062 7.220 -3.992 1.00 63.54 O ATOM 606 CB PRO A 337 10.254 5.556 -5.589 1.00 45.24 C ATOM 607 CG PRO A 337 10.362 5.134 -7.053 1.00 3.53 C ATOM 608 CD PRO A 337 9.253 4.111 -7.290 1.00 43.01 C ATOM 0 HA PRO A 337 8.685 4.805 -4.217 1.00 21.33 H new ATOM 0 HB2 PRO A 337 10.508 6.609 -5.464 1.00 45.24 H new ATOM 0 HB3 PRO A 337 10.942 4.986 -4.965 1.00 45.24 H new ATOM 0 HG2 PRO A 337 10.246 5.993 -7.714 1.00 3.53 H new ATOM 0 HG3 PRO A 337 11.341 4.701 -7.261 1.00 3.53 H new ATOM 0 HD2 PRO A 337 8.821 4.216 -8.285 1.00 43.01 H new ATOM 0 HD3 PRO A 337 9.629 3.091 -7.212 1.00 43.01 H new ATOM 616 N ILE A 338 7.322 7.009 -6.100 1.00 63.43 N ATOM 617 CA ILE A 338 6.648 8.283 -6.074 1.00 31.43 C ATOM 618 C ILE A 338 5.199 8.100 -5.647 1.00 42.52 C ATOM 619 O ILE A 338 4.603 9.015 -5.128 1.00 3.14 O ATOM 620 CB ILE A 338 6.621 8.968 -7.437 1.00 53.34 C ATOM 621 CG1 ILE A 338 7.869 8.649 -8.290 1.00 0.02 C ATOM 622 CG2 ILE A 338 6.436 10.478 -7.239 1.00 15.10 C ATOM 623 CD1 ILE A 338 9.151 9.283 -7.763 1.00 54.23 C ATOM 0 H ILE A 338 7.209 6.481 -6.965 1.00 63.43 H new ATOM 0 HA ILE A 338 7.207 8.901 -5.372 1.00 31.43 H new ATOM 0 HB ILE A 338 5.776 8.574 -8.001 1.00 53.34 H new ATOM 0 HG12 ILE A 338 8.001 7.568 -8.335 1.00 0.02 H new ATOM 0 HG13 ILE A 338 7.698 8.992 -9.310 1.00 0.02 H new ATOM 0 HG21 ILE A 338 6.416 10.973 -8.210 1.00 15.10 H new ATOM 0 HG22 ILE A 338 5.497 10.664 -6.718 1.00 15.10 H new ATOM 0 HG23 ILE A 338 7.263 10.872 -6.648 1.00 15.10 H new ATOM 0 HD11 ILE A 338 9.984 9.015 -8.413 1.00 54.23 H new ATOM 0 HD12 ILE A 338 9.040 10.367 -7.745 1.00 54.23 H new ATOM 0 HD13 ILE A 338 9.348 8.921 -6.754 1.00 54.23 H new ATOM 635 N CYS A 339 4.579 6.922 -5.922 1.00 23.50 N ATOM 636 CA CYS A 339 3.127 6.827 -5.670 1.00 62.11 C ATOM 637 C CYS A 339 2.767 5.561 -4.899 1.00 22.20 C ATOM 638 O CYS A 339 1.604 5.306 -4.648 1.00 44.02 O ATOM 639 CB CYS A 339 2.299 6.897 -6.990 1.00 74.34 C ATOM 640 SG CYS A 339 2.386 5.367 -7.978 1.00 23.45 S ATOM 0 H CYS A 339 5.027 6.083 -6.292 1.00 23.50 H new ATOM 0 HA CYS A 339 2.868 7.690 -5.057 1.00 62.11 H new ATOM 0 HB2 CYS A 339 1.257 7.105 -6.747 1.00 74.34 H new ATOM 0 HB3 CYS A 339 2.659 7.731 -7.592 1.00 74.34 H new ATOM 0 HG CYS A 339 1.390 5.332 -8.813 1.00 23.45 H new ATOM 645 N ARG A 340 3.761 4.705 -4.614 1.00 0.23 N ATOM 646 CA ARG A 340 3.573 3.492 -3.791 1.00 44.01 C ATOM 647 C ARG A 340 2.689 2.433 -4.470 1.00 41.33 C ATOM 648 O ARG A 340 2.229 1.504 -3.813 1.00 40.31 O ATOM 649 CB ARG A 340 3.058 3.756 -2.353 1.00 2.21 C ATOM 650 CG ARG A 340 3.858 4.839 -1.602 1.00 62.24 C ATOM 651 CD ARG A 340 5.376 4.565 -1.551 1.00 24.30 C ATOM 652 NE ARG A 340 5.971 5.496 -0.540 1.00 41.44 N ATOM 653 CZ ARG A 340 7.294 5.865 -0.597 1.00 5.34 C ATOM 654 NH1 ARG A 340 8.123 5.353 -1.563 1.00 52.12 N ATOM 655 NH2 ARG A 340 7.782 6.759 0.318 1.00 23.13 N ATOM 0 H ARG A 340 4.717 4.831 -4.945 1.00 0.23 H new ATOM 0 HA ARG A 340 4.586 3.099 -3.699 1.00 44.01 H new ATOM 0 HB2 ARG A 340 2.011 4.056 -2.400 1.00 2.21 H new ATOM 0 HB3 ARG A 340 3.098 2.827 -1.785 1.00 2.21 H new ATOM 0 HG2 ARG A 340 3.688 5.803 -2.082 1.00 62.24 H new ATOM 0 HG3 ARG A 340 3.478 4.919 -0.584 1.00 62.24 H new ATOM 0 HD2 ARG A 340 5.569 3.528 -1.276 1.00 24.30 H new ATOM 0 HD3 ARG A 340 5.827 4.725 -2.530 1.00 24.30 H new ATOM 0 HE ARG A 340 5.382 5.864 0.207 1.00 41.44 H new ATOM 0 HH11 ARG A 340 7.759 4.691 -2.249 1.00 52.12 H new ATOM 0 HH12 ARG A 340 9.103 5.634 -1.595 1.00 52.12 H new ATOM 0 HH21 ARG A 340 7.165 7.145 1.033 1.00 23.13 H new ATOM 0 HH22 ARG A 340 8.762 7.039 0.284 1.00 23.13 H new ATOM 669 N GLN A 341 2.410 2.557 -5.795 1.00 53.15 N ATOM 670 CA GLN A 341 1.662 1.504 -6.509 1.00 53.13 C ATOM 671 C GLN A 341 2.622 0.397 -6.781 1.00 72.12 C ATOM 672 O GLN A 341 3.795 0.661 -7.004 1.00 65.32 O ATOM 673 CB GLN A 341 1.195 1.925 -7.912 1.00 23.21 C ATOM 674 CG GLN A 341 -0.031 2.818 -7.960 1.00 72.31 C ATOM 675 CD GLN A 341 -0.097 3.351 -9.387 1.00 1.15 C ATOM 676 OE1 GLN A 341 0.934 3.791 -9.942 1.00 63.43 O ATOM 677 NE2 GLN A 341 -1.265 3.278 -10.014 1.00 64.15 N ATOM 0 H GLN A 341 2.685 3.353 -6.370 1.00 53.15 H new ATOM 0 HA GLN A 341 0.801 1.256 -5.888 1.00 53.13 H new ATOM 0 HB2 GLN A 341 2.017 2.441 -8.408 1.00 23.21 H new ATOM 0 HB3 GLN A 341 0.988 1.025 -8.491 1.00 23.21 H new ATOM 0 HG2 GLN A 341 -0.933 2.259 -7.709 1.00 72.31 H new ATOM 0 HG3 GLN A 341 0.050 3.633 -7.241 1.00 72.31 H new ATOM 0 HE21 GLN A 341 -2.083 2.913 -9.527 1.00 64.15 H new ATOM 0 HE22 GLN A 341 -1.344 3.587 -10.983 1.00 64.15 H new ATOM 686 N ALA A 342 2.126 -0.859 -6.785 1.00 72.33 N ATOM 687 CA ALA A 342 2.922 -2.013 -7.201 1.00 40.11 C ATOM 688 C ALA A 342 3.318 -1.809 -8.653 1.00 22.54 C ATOM 689 O ALA A 342 2.588 -1.161 -9.432 1.00 31.10 O ATOM 690 CB ALA A 342 2.160 -3.350 -7.109 1.00 13.42 C ATOM 0 H ALA A 342 1.174 -1.091 -6.502 1.00 72.33 H new ATOM 0 HA ALA A 342 3.777 -2.075 -6.528 1.00 40.11 H new ATOM 0 HB1 ALA A 342 2.810 -4.163 -7.433 1.00 13.42 H new ATOM 0 HB2 ALA A 342 1.850 -3.522 -6.078 1.00 13.42 H new ATOM 0 HB3 ALA A 342 1.280 -3.312 -7.751 1.00 13.42 H new ATOM 696 N ILE A 343 4.473 -2.359 -9.038 1.00 72.15 N ATOM 697 CA ILE A 343 4.961 -2.238 -10.389 1.00 61.45 C ATOM 698 C ILE A 343 4.370 -3.368 -11.191 1.00 71.34 C ATOM 699 O ILE A 343 4.390 -4.525 -10.778 1.00 40.31 O ATOM 700 CB ILE A 343 6.487 -2.261 -10.433 1.00 13.03 C ATOM 701 CG1 ILE A 343 7.040 -1.030 -9.693 1.00 23.30 C ATOM 702 CG2 ILE A 343 7.008 -2.329 -11.882 1.00 44.44 C ATOM 703 CD1 ILE A 343 8.498 -1.143 -9.362 1.00 45.33 C ATOM 0 H ILE A 343 5.082 -2.894 -8.418 1.00 72.15 H new ATOM 0 HA ILE A 343 4.658 -1.281 -10.813 1.00 61.45 H new ATOM 0 HB ILE A 343 6.840 -3.161 -9.930 1.00 13.03 H new ATOM 0 HG12 ILE A 343 6.882 -0.144 -10.307 1.00 23.30 H new ATOM 0 HG13 ILE A 343 6.476 -0.884 -8.772 1.00 23.30 H new ATOM 0 HG21 ILE A 343 8.098 -2.344 -11.876 1.00 44.44 H new ATOM 0 HG22 ILE A 343 6.635 -3.235 -12.361 1.00 44.44 H new ATOM 0 HG23 ILE A 343 6.660 -1.457 -12.435 1.00 44.44 H new ATOM 0 HD11 ILE A 343 8.824 -0.242 -8.841 1.00 45.33 H new ATOM 0 HD12 ILE A 343 8.660 -2.011 -8.722 1.00 45.33 H new ATOM 0 HD13 ILE A 343 9.072 -1.258 -10.281 1.00 45.33 H new ATOM 715 N THR A 344 3.818 -3.023 -12.372 1.00 34.40 N ATOM 716 CA THR A 344 3.178 -3.978 -13.227 1.00 43.12 C ATOM 717 C THR A 344 4.194 -4.377 -14.297 1.00 75.41 C ATOM 718 O THR A 344 4.239 -5.537 -14.732 1.00 13.44 O ATOM 719 CB THR A 344 1.939 -3.365 -13.876 1.00 21.25 C ATOM 720 OG1 THR A 344 0.911 -3.126 -12.909 1.00 55.15 O ATOM 721 CG2 THR A 344 1.420 -4.234 -15.016 1.00 63.24 C ATOM 0 H THR A 344 3.816 -2.071 -12.737 1.00 34.40 H new ATOM 0 HA THR A 344 2.854 -4.849 -12.657 1.00 43.12 H new ATOM 0 HB THR A 344 2.234 -2.404 -14.297 1.00 21.25 H new ATOM 0 HG1 THR A 344 0.131 -2.732 -13.352 1.00 55.15 H new ATOM 0 HG21 THR A 344 0.538 -3.769 -15.456 1.00 63.24 H new ATOM 0 HG22 THR A 344 2.194 -4.336 -15.777 1.00 63.24 H new ATOM 0 HG23 THR A 344 1.157 -5.219 -14.632 1.00 63.24 H new ATOM 729 N ARG A 345 5.053 -3.428 -14.700 1.00 24.51 N ATOM 730 CA ARG A 345 6.041 -3.709 -15.717 1.00 0.13 C ATOM 731 C ARG A 345 7.053 -2.628 -15.654 1.00 24.52 C ATOM 732 O ARG A 345 6.871 -1.638 -14.957 1.00 52.01 O ATOM 733 CB ARG A 345 5.475 -3.785 -17.169 1.00 40.52 C ATOM 734 CG ARG A 345 5.879 -5.060 -17.914 1.00 75.14 C ATOM 735 CD ARG A 345 6.947 -4.819 -18.980 1.00 64.11 C ATOM 736 NE ARG A 345 7.367 -6.151 -19.519 1.00 73.23 N ATOM 737 CZ ARG A 345 8.648 -6.371 -19.976 1.00 42.14 C ATOM 738 NH1 ARG A 345 9.596 -5.371 -19.927 1.00 41.43 N ATOM 739 NH2 ARG A 345 8.983 -7.600 -20.479 1.00 4.44 N ATOM 0 H ARG A 345 5.073 -2.476 -14.335 1.00 24.51 H new ATOM 0 HA ARG A 345 6.451 -4.697 -15.509 1.00 0.13 H new ATOM 0 HB2 ARG A 345 4.387 -3.725 -17.130 1.00 40.52 H new ATOM 0 HB3 ARG A 345 5.822 -2.919 -17.732 1.00 40.52 H new ATOM 0 HG2 ARG A 345 6.250 -5.791 -17.196 1.00 75.14 H new ATOM 0 HG3 ARG A 345 4.997 -5.494 -18.384 1.00 75.14 H new ATOM 0 HD2 ARG A 345 6.554 -4.191 -19.779 1.00 64.11 H new ATOM 0 HD3 ARG A 345 7.801 -4.294 -18.553 1.00 64.11 H new ATOM 0 HE ARG A 345 6.689 -6.913 -19.549 1.00 73.23 H new ATOM 0 HH11 ARG A 345 9.352 -4.455 -19.549 1.00 41.43 H new ATOM 0 HH12 ARG A 345 10.541 -5.547 -20.269 1.00 41.43 H new ATOM 0 HH21 ARG A 345 8.286 -8.344 -20.513 1.00 4.44 H new ATOM 0 HH22 ARG A 345 9.929 -7.771 -20.819 1.00 4.44 H new ATOM 753 N VAL A 346 8.150 -2.808 -16.392 1.00 34.30 N ATOM 754 CA VAL A 346 9.205 -1.847 -16.403 1.00 20.22 C ATOM 755 C VAL A 346 9.596 -1.630 -17.840 1.00 64.23 C ATOM 756 O VAL A 346 9.728 -2.576 -18.630 1.00 41.44 O ATOM 757 CB VAL A 346 10.421 -2.264 -15.562 1.00 22.53 C ATOM 758 CG1 VAL A 346 11.063 -3.552 -16.121 1.00 40.31 C ATOM 759 CG2 VAL A 346 11.414 -1.089 -15.466 1.00 44.52 C ATOM 0 H VAL A 346 8.312 -3.621 -16.986 1.00 34.30 H new ATOM 0 HA VAL A 346 8.846 -0.926 -15.943 1.00 20.22 H new ATOM 0 HB VAL A 346 10.100 -2.503 -14.548 1.00 22.53 H new ATOM 0 HG11 VAL A 346 11.922 -3.826 -15.508 1.00 40.31 H new ATOM 0 HG12 VAL A 346 10.332 -4.360 -16.103 1.00 40.31 H new ATOM 0 HG13 VAL A 346 11.389 -3.380 -17.147 1.00 40.31 H new ATOM 0 HG21 VAL A 346 12.275 -1.388 -14.869 1.00 44.52 H new ATOM 0 HG22 VAL A 346 11.745 -0.810 -16.466 1.00 44.52 H new ATOM 0 HG23 VAL A 346 10.925 -0.237 -14.995 1.00 44.52 H new