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 164:sc= 0.806 USER MOD Set 1.2: A 305 CYS SG : rot -65:sc= 0.978 USER MOD Set 1.3: A 307 SER OG : rot 180:sc= -0.0548 USER MOD Set 1.4: A 308 SER OG : rot 9:sc= 1.3 USER MOD Set 1.5: A 322 SER OG : rot 180:sc= 0.167 USER MOD Set 1.6: A 323 CYS SG : rot -168:sc= 1.44 USER MOD Set 1.7: A 326 CYS SG : rot 146:sc= 0.303 USER MOD Set 2.1: A 317 CYS SG : rot -98:sc= 2.14 USER MOD Set 2.2: A 319 HIS : no HE2:sc= -0.747 K(o=-0.024,f=-1) USER MOD Set 2.3: A 336 CYS SG : rot 144:sc= -0.0819 USER MOD Set 2.4: A 339 CYS SG : rot 157:sc= -0.25 USER MOD Set 2.5: A 341 GLN : amide:sc= -1.09 K(o=-0.024,f=-6!) USER MOD Set 3.1: A 312 CYS SG : rot 12:sc= 0.636 USER MOD Set 3.2: A 324 THR OG1 : rot -45:sc= 0.368 USER MOD Single : A 300 SER OG : rot 24:sc= 0.369 USER MOD Single : A 310 LYS NZ :NH3+ -130:sc= -0.192 (180deg=-0.932) USER MOD Single : A 311 SER OG : rot 180:sc= 0 USER MOD Single : A 321 CYS SG : rot 90:sc= -0.613 USER MOD Single : A 327 TYR OH : rot 180:sc= 0 USER MOD Single : A 334 LYS NZ :NH3+ -174:sc= 0.233 (180deg=0.216) USER MOD Single : A 335 LYS NZ :NH3+ 139:sc= 0.481 (180deg=-1.08) USER MOD Single : A 344 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N SER A 300 16.572 12.412 -15.063 1.00 3.12 N ATOM 63 CA SER A 300 17.046 13.187 -13.964 1.00 12.04 C ATOM 64 C SER A 300 17.611 12.172 -13.025 1.00 55.23 C ATOM 65 O SER A 300 17.854 11.038 -13.426 1.00 3.53 O ATOM 66 CB SER A 300 15.917 13.982 -13.255 1.00 32.21 C ATOM 67 OG SER A 300 14.962 14.441 -14.224 1.00 2.40 O ATOM 0 HA SER A 300 17.765 13.936 -14.296 1.00 12.04 H new ATOM 0 HB2 SER A 300 15.424 13.350 -12.516 1.00 32.21 H new ATOM 0 HB3 SER A 300 16.340 14.831 -12.717 1.00 32.21 H new ATOM 0 HG SER A 300 14.995 13.864 -15.015 1.00 2.40 H new ATOM 73 N ALA A 301 17.819 12.536 -11.756 1.00 41.01 N ATOM 74 CA ALA A 301 18.399 11.614 -10.804 1.00 13.55 C ATOM 75 C ALA A 301 17.411 10.507 -10.502 1.00 40.31 C ATOM 76 O ALA A 301 16.232 10.749 -10.290 1.00 4.35 O ATOM 77 CB ALA A 301 18.777 12.280 -9.462 1.00 62.14 C ATOM 0 H ALA A 301 17.593 13.456 -11.377 1.00 41.01 H new ATOM 0 HA ALA A 301 19.310 11.234 -11.266 1.00 13.55 H new ATOM 0 HB1 ALA A 301 19.206 11.534 -8.794 1.00 62.14 H new ATOM 0 HB2 ALA A 301 19.507 13.070 -9.641 1.00 62.14 H new ATOM 0 HB3 ALA A 301 17.885 12.707 -9.004 1.00 62.14 H new ATOM 83 N CYS A 302 17.907 9.234 -10.551 1.00 65.22 N ATOM 84 CA CYS A 302 17.149 8.046 -10.116 1.00 52.23 C ATOM 85 C CYS A 302 16.785 8.324 -8.682 1.00 22.22 C ATOM 86 O CYS A 302 17.663 8.355 -7.855 1.00 13.50 O ATOM 87 CB CYS A 302 18.056 6.754 -10.185 1.00 40.05 C ATOM 88 SG CYS A 302 17.331 5.190 -9.517 1.00 41.41 S ATOM 0 H CYS A 302 18.842 9.016 -10.894 1.00 65.22 H new ATOM 0 HA CYS A 302 16.279 7.869 -10.748 1.00 52.23 H new ATOM 0 HB2 CYS A 302 18.327 6.585 -11.227 1.00 40.05 H new ATOM 0 HB3 CYS A 302 18.980 6.958 -9.644 1.00 40.05 H new ATOM 0 HG CYS A 302 18.025 4.175 -9.940 1.00 41.41 H new ATOM 93 N VAL A 303 15.464 8.357 -8.369 1.00 60.23 N ATOM 94 CA VAL A 303 14.973 8.906 -7.090 1.00 1.53 C ATOM 95 C VAL A 303 15.372 8.023 -5.930 1.00 55.21 C ATOM 96 O VAL A 303 15.358 8.445 -4.784 1.00 64.33 O ATOM 97 CB VAL A 303 13.462 9.090 -7.049 1.00 31.35 C ATOM 98 CG1 VAL A 303 13.036 9.981 -8.225 1.00 0.51 C ATOM 99 CG2 VAL A 303 12.761 7.717 -7.082 1.00 21.51 C ATOM 0 H VAL A 303 14.728 8.011 -8.985 1.00 60.23 H new ATOM 0 HA VAL A 303 15.438 9.888 -7.005 1.00 1.53 H new ATOM 0 HB VAL A 303 13.166 9.581 -6.122 1.00 31.35 H new ATOM 0 HG11 VAL A 303 11.955 10.119 -8.204 1.00 0.51 H new ATOM 0 HG12 VAL A 303 13.527 10.951 -8.143 1.00 0.51 H new ATOM 0 HG13 VAL A 303 13.323 9.507 -9.163 1.00 0.51 H new ATOM 0 HG21 VAL A 303 11.681 7.859 -7.052 1.00 21.51 H new ATOM 0 HG22 VAL A 303 13.033 7.192 -7.998 1.00 21.51 H new ATOM 0 HG23 VAL A 303 13.073 7.128 -6.219 1.00 21.51 H new ATOM 109 N VAL A 304 15.750 6.781 -6.224 1.00 52.44 N ATOM 110 CA VAL A 304 16.058 5.852 -5.178 1.00 52.14 C ATOM 111 C VAL A 304 17.523 5.987 -4.807 1.00 61.13 C ATOM 112 O VAL A 304 17.848 6.097 -3.635 1.00 1.01 O ATOM 113 CB VAL A 304 15.779 4.399 -5.576 1.00 44.11 C ATOM 114 CG1 VAL A 304 15.312 3.628 -4.331 1.00 12.12 C ATOM 115 CG2 VAL A 304 14.713 4.371 -6.701 1.00 53.52 C ATOM 0 H VAL A 304 15.845 6.413 -7.170 1.00 52.44 H new ATOM 0 HA VAL A 304 15.413 6.091 -4.332 1.00 52.14 H new ATOM 0 HB VAL A 304 16.681 3.921 -5.959 1.00 44.11 H new ATOM 0 HG11 VAL A 304 15.110 2.591 -4.600 1.00 12.12 H new ATOM 0 HG12 VAL A 304 16.091 3.660 -3.570 1.00 12.12 H new ATOM 0 HG13 VAL A 304 14.403 4.085 -3.939 1.00 12.12 H new ATOM 0 HG21 VAL A 304 14.512 3.338 -6.986 1.00 53.52 H new ATOM 0 HG22 VAL A 304 13.793 4.834 -6.343 1.00 53.52 H new ATOM 0 HG23 VAL A 304 15.083 4.921 -7.566 1.00 53.52 H new ATOM 125 N CYS A 305 18.444 6.007 -5.801 1.00 63.32 N ATOM 126 CA CYS A 305 19.872 6.003 -5.456 1.00 41.05 C ATOM 127 C CYS A 305 20.392 7.431 -5.399 1.00 43.21 C ATOM 128 O CYS A 305 21.151 7.775 -4.513 1.00 62.24 O ATOM 129 CB CYS A 305 20.770 5.103 -6.392 1.00 12.01 C ATOM 130 SG CYS A 305 20.675 5.511 -8.172 1.00 4.10 S ATOM 0 H CYS A 305 18.232 6.025 -6.799 1.00 63.32 H new ATOM 0 HA CYS A 305 19.948 5.540 -4.472 1.00 41.05 H new ATOM 0 HB2 CYS A 305 21.807 5.190 -6.069 1.00 12.01 H new ATOM 0 HB3 CYS A 305 20.480 4.061 -6.257 1.00 12.01 H new ATOM 0 HG CYS A 305 19.474 5.271 -8.609 1.00 4.10 H new ATOM 135 N LEU A 306 20.032 8.252 -6.434 1.00 53.52 N ATOM 136 CA LEU A 306 20.360 9.693 -6.515 1.00 3.23 C ATOM 137 C LEU A 306 21.738 9.841 -7.090 1.00 5.21 C ATOM 138 O LEU A 306 22.290 10.939 -7.135 1.00 41.44 O ATOM 139 CB LEU A 306 20.269 10.530 -5.190 1.00 40.53 C ATOM 140 CG LEU A 306 18.836 10.714 -4.632 1.00 54.35 C ATOM 141 CD1 LEU A 306 17.800 11.085 -5.699 1.00 61.24 C ATOM 142 CD2 LEU A 306 18.378 9.542 -3.759 1.00 13.34 C ATOM 0 H LEU A 306 19.501 7.918 -7.238 1.00 53.52 H new ATOM 0 HA LEU A 306 19.577 10.112 -7.147 1.00 3.23 H new ATOM 0 HB2 LEU A 306 20.880 10.045 -4.429 1.00 40.53 H new ATOM 0 HB3 LEU A 306 20.703 11.514 -5.368 1.00 40.53 H new ATOM 0 HG LEU A 306 18.903 11.581 -3.975 1.00 54.35 H new ATOM 0 HD11 LEU A 306 16.821 11.197 -5.232 1.00 61.24 H new ATOM 0 HD12 LEU A 306 18.086 12.024 -6.173 1.00 61.24 H new ATOM 0 HD13 LEU A 306 17.755 10.298 -6.452 1.00 61.24 H new ATOM 0 HD21 LEU A 306 17.367 9.730 -3.398 1.00 13.34 H new ATOM 0 HD22 LEU A 306 18.388 8.624 -4.347 1.00 13.34 H new ATOM 0 HD23 LEU A 306 19.052 9.436 -2.909 1.00 13.34 H new ATOM 154 N SER A 307 22.317 8.727 -7.545 1.00 32.34 N ATOM 155 CA SER A 307 23.638 8.738 -8.116 1.00 55.11 C ATOM 156 C SER A 307 23.482 8.596 -9.608 1.00 41.01 C ATOM 157 O SER A 307 23.955 9.419 -10.367 1.00 35.33 O ATOM 158 CB SER A 307 24.500 7.557 -7.594 1.00 0.31 C ATOM 159 OG SER A 307 23.680 6.643 -6.838 1.00 34.14 O ATOM 0 H SER A 307 21.877 7.807 -7.522 1.00 32.34 H new ATOM 0 HA SER A 307 24.139 9.666 -7.839 1.00 55.11 H new ATOM 0 HB2 SER A 307 24.962 7.035 -8.432 1.00 0.31 H new ATOM 0 HB3 SER A 307 25.309 7.935 -6.969 1.00 0.31 H new ATOM 0 HG SER A 307 24.231 5.900 -6.514 1.00 34.14 H new ATOM 165 N SER A 308 22.762 7.549 -10.050 1.00 61.13 N ATOM 166 CA SER A 308 22.624 7.300 -11.472 1.00 35.51 C ATOM 167 C SER A 308 21.389 7.997 -11.913 1.00 24.53 C ATOM 168 O SER A 308 20.476 8.250 -11.098 1.00 72.34 O ATOM 169 CB SER A 308 22.473 5.804 -11.839 1.00 4.12 C ATOM 170 OG SER A 308 21.683 5.118 -10.865 1.00 60.11 O ATOM 0 H SER A 308 22.281 6.882 -9.447 1.00 61.13 H new ATOM 0 HA SER A 308 23.533 7.655 -11.958 1.00 35.51 H new ATOM 0 HB2 SER A 308 22.009 5.711 -12.821 1.00 4.12 H new ATOM 0 HB3 SER A 308 23.457 5.341 -11.907 1.00 4.12 H new ATOM 0 HG SER A 308 21.287 5.768 -10.248 1.00 60.11 H new ATOM 176 N PHE A 309 21.308 8.288 -13.213 1.00 52.35 N ATOM 177 CA PHE A 309 20.148 8.933 -13.771 1.00 15.31 C ATOM 178 C PHE A 309 19.063 7.885 -13.894 1.00 53.04 C ATOM 179 O PHE A 309 19.318 6.678 -13.760 1.00 11.05 O ATOM 180 CB PHE A 309 20.411 9.562 -15.172 1.00 5.01 C ATOM 181 CG PHE A 309 21.020 10.952 -15.126 1.00 44.54 C ATOM 182 CD1 PHE A 309 20.489 11.974 -15.886 1.00 3.12 C ATOM 183 CD2 PHE A 309 22.120 11.233 -14.320 1.00 33.21 C ATOM 184 CE1 PHE A 309 21.031 13.234 -15.845 1.00 54.11 C ATOM 185 CE2 PHE A 309 22.657 12.497 -14.287 1.00 40.42 C ATOM 186 CZ PHE A 309 22.113 13.495 -15.046 1.00 60.35 C ATOM 0 H PHE A 309 22.042 8.081 -13.890 1.00 52.35 H new ATOM 0 HA PHE A 309 19.862 9.752 -13.112 1.00 15.31 H new ATOM 0 HB2 PHE A 309 21.075 8.905 -15.734 1.00 5.01 H new ATOM 0 HB3 PHE A 309 19.470 9.608 -15.720 1.00 5.01 H new ATOM 0 HD1 PHE A 309 19.637 11.780 -16.521 1.00 3.12 H new ATOM 0 HD2 PHE A 309 22.555 10.451 -13.716 1.00 33.21 H new ATOM 0 HE1 PHE A 309 20.603 14.023 -16.445 1.00 54.11 H new ATOM 0 HE2 PHE A 309 23.512 12.703 -13.659 1.00 40.42 H new ATOM 0 HZ PHE A 309 22.536 14.488 -15.016 1.00 60.35 H new ATOM 196 N LYS A 310 17.807 8.335 -14.041 1.00 32.30 N ATOM 197 CA LYS A 310 16.698 7.425 -14.205 1.00 34.31 C ATOM 198 C LYS A 310 16.523 7.178 -15.665 1.00 32.34 C ATOM 199 O LYS A 310 16.464 8.112 -16.462 1.00 3.50 O ATOM 200 CB LYS A 310 15.353 7.966 -13.651 1.00 2.30 C ATOM 201 CG LYS A 310 15.182 9.478 -13.804 1.00 31.25 C ATOM 202 CD LYS A 310 13.746 9.897 -14.114 1.00 21.25 C ATOM 203 CE LYS A 310 13.334 11.212 -13.452 1.00 52.41 C ATOM 204 NZ LYS A 310 13.468 11.121 -11.977 1.00 3.02 N ATOM 0 H LYS A 310 17.550 9.322 -14.048 1.00 32.30 H new ATOM 0 HA LYS A 310 16.937 6.523 -13.641 1.00 34.31 H new ATOM 0 HB2 LYS A 310 14.532 7.464 -14.163 1.00 2.30 H new ATOM 0 HB3 LYS A 310 15.276 7.707 -12.595 1.00 2.30 H new ATOM 0 HG2 LYS A 310 15.505 9.968 -12.885 1.00 31.25 H new ATOM 0 HG3 LYS A 310 15.836 9.832 -14.601 1.00 31.25 H new ATOM 0 HD2 LYS A 310 13.629 9.992 -15.194 1.00 21.25 H new ATOM 0 HD3 LYS A 310 13.068 9.108 -13.788 1.00 21.25 H new ATOM 0 HE2 LYS A 310 13.955 12.025 -13.829 1.00 52.41 H new ATOM 0 HE3 LYS A 310 12.303 11.450 -13.715 1.00 52.41 H new ATOM 0 HZ1 LYS A 310 12.589 11.447 -11.528 1.00 3.02 H new ATOM 0 HZ2 LYS A 310 13.650 10.134 -11.705 1.00 3.02 H new ATOM 0 HZ3 LYS A 310 14.259 11.718 -11.663 1.00 3.02 H new ATOM 218 N SER A 311 16.425 5.903 -16.034 1.00 11.14 N ATOM 219 CA SER A 311 16.234 5.528 -17.404 1.00 22.54 C ATOM 220 C SER A 311 15.231 4.404 -17.403 1.00 32.23 C ATOM 221 O SER A 311 15.327 3.476 -18.196 1.00 4.30 O ATOM 222 CB SER A 311 17.547 5.049 -18.115 1.00 2.43 C ATOM 223 OG SER A 311 18.707 5.452 -17.371 1.00 54.22 O ATOM 0 H SER A 311 16.477 5.117 -15.386 1.00 11.14 H new ATOM 0 HA SER A 311 15.897 6.402 -17.961 1.00 22.54 H new ATOM 0 HB2 SER A 311 17.535 3.964 -18.218 1.00 2.43 H new ATOM 0 HB3 SER A 311 17.593 5.464 -19.122 1.00 2.43 H new ATOM 0 HG SER A 311 19.515 5.142 -17.831 1.00 54.22 H new ATOM 229 N CYS A 312 14.241 4.457 -16.488 1.00 60.44 N ATOM 230 CA CYS A 312 13.256 3.402 -16.441 1.00 23.43 C ATOM 231 C CYS A 312 11.950 3.991 -16.023 1.00 41.45 C ATOM 232 O CYS A 312 11.838 4.708 -14.982 1.00 72.14 O ATOM 233 CB CYS A 312 13.593 2.260 -15.450 1.00 35.42 C ATOM 234 SG CYS A 312 14.925 1.180 -16.056 1.00 32.40 S ATOM 0 H CYS A 312 14.119 5.201 -15.801 1.00 60.44 H new ATOM 0 HA CYS A 312 13.228 2.965 -17.439 1.00 23.43 H new ATOM 0 HB2 CYS A 312 13.886 2.690 -14.492 1.00 35.42 H new ATOM 0 HB3 CYS A 312 12.699 1.663 -15.271 1.00 35.42 H new ATOM 0 HG CYS A 312 15.500 1.734 -17.082 1.00 32.40 H new ATOM 240 N VAL A 313 10.933 3.695 -16.855 1.00 23.14 N ATOM 241 CA VAL A 313 9.586 4.088 -16.627 1.00 42.01 C ATOM 242 C VAL A 313 8.955 2.872 -16.031 1.00 22.21 C ATOM 243 O VAL A 313 9.155 1.758 -16.518 1.00 72.23 O ATOM 244 CB VAL A 313 8.842 4.435 -17.914 1.00 21.50 C ATOM 245 CG1 VAL A 313 7.492 5.099 -17.572 1.00 43.32 C ATOM 246 CG2 VAL A 313 9.731 5.341 -18.783 1.00 23.42 C ATOM 0 H VAL A 313 11.059 3.163 -17.716 1.00 23.14 H new ATOM 0 HA VAL A 313 9.547 4.980 -16.002 1.00 42.01 H new ATOM 0 HB VAL A 313 8.625 3.532 -18.484 1.00 21.50 H new ATOM 0 HG11 VAL A 313 6.964 5.345 -18.493 1.00 43.32 H new ATOM 0 HG12 VAL A 313 6.888 4.411 -16.980 1.00 43.32 H new ATOM 0 HG13 VAL A 313 7.669 6.010 -17.001 1.00 43.32 H new ATOM 0 HG21 VAL A 313 9.205 5.592 -19.704 1.00 23.42 H new ATOM 0 HG22 VAL A 313 9.963 6.255 -18.237 1.00 23.42 H new ATOM 0 HG23 VAL A 313 10.656 4.818 -19.025 1.00 23.42 H new ATOM 256 N PHE A 314 8.212 3.043 -14.949 1.00 53.34 N ATOM 257 CA PHE A 314 7.573 1.921 -14.324 1.00 71.45 C ATOM 258 C PHE A 314 6.200 1.851 -14.881 1.00 24.23 C ATOM 259 O PHE A 314 5.381 2.790 -14.681 1.00 41.12 O ATOM 260 CB PHE A 314 7.491 2.029 -12.785 1.00 11.23 C ATOM 261 CG PHE A 314 8.795 1.739 -12.075 1.00 73.15 C ATOM 262 CD1 PHE A 314 9.147 2.443 -10.940 1.00 13.03 C ATOM 263 CD2 PHE A 314 9.660 0.750 -12.538 1.00 54.02 C ATOM 264 CE1 PHE A 314 10.326 2.163 -10.290 1.00 25.54 C ATOM 265 CE2 PHE A 314 10.830 0.486 -11.884 1.00 54.21 C ATOM 266 CZ PHE A 314 11.162 1.186 -10.764 1.00 0.53 C ATOM 0 H PHE A 314 8.044 3.942 -14.497 1.00 53.34 H new ATOM 0 HA PHE A 314 8.164 1.029 -14.529 1.00 71.45 H new ATOM 0 HB2 PHE A 314 7.160 3.033 -12.519 1.00 11.23 H new ATOM 0 HB3 PHE A 314 6.731 1.337 -12.423 1.00 11.23 H new ATOM 0 HD1 PHE A 314 8.494 3.216 -10.562 1.00 13.03 H new ATOM 0 HD2 PHE A 314 9.403 0.186 -13.423 1.00 54.02 H new ATOM 0 HE1 PHE A 314 10.594 2.716 -9.402 1.00 25.54 H new ATOM 0 HE2 PHE A 314 11.494 -0.280 -12.256 1.00 54.21 H new ATOM 0 HZ PHE A 314 12.086 0.971 -10.248 1.00 0.53 H new ATOM 276 N LEU A 315 5.880 0.722 -15.572 1.00 41.41 N ATOM 277 CA LEU A 315 4.580 0.583 -16.162 1.00 40.44 C ATOM 278 C LEU A 315 3.694 0.188 -15.047 1.00 63.54 C ATOM 279 O LEU A 315 3.744 -0.937 -14.545 1.00 3.15 O ATOM 280 CB LEU A 315 4.530 -0.562 -17.207 1.00 75.44 C ATOM 281 CG LEU A 315 3.599 -0.314 -18.405 1.00 13.32 C ATOM 282 CD1 LEU A 315 3.965 -1.212 -19.591 1.00 22.15 C ATOM 283 CD2 LEU A 315 2.110 -0.448 -18.037 1.00 54.14 C ATOM 0 H LEU A 315 6.508 -0.069 -15.715 1.00 41.41 H new ATOM 0 HA LEU A 315 4.300 1.509 -16.664 1.00 40.44 H new ATOM 0 HB2 LEU A 315 5.539 -0.735 -17.581 1.00 75.44 H new ATOM 0 HB3 LEU A 315 4.215 -1.477 -16.705 1.00 75.44 H new ATOM 0 HG LEU A 315 3.751 0.722 -18.708 1.00 13.32 H new ATOM 0 HD11 LEU A 315 3.288 -1.012 -20.421 1.00 22.15 H new ATOM 0 HD12 LEU A 315 4.990 -1.006 -19.901 1.00 22.15 H new ATOM 0 HD13 LEU A 315 3.878 -2.258 -19.296 1.00 22.15 H new ATOM 0 HD21 LEU A 315 1.499 -0.263 -18.920 1.00 54.14 H new ATOM 0 HD22 LEU A 315 1.916 -1.454 -17.666 1.00 54.14 H new ATOM 0 HD23 LEU A 315 1.860 0.278 -17.264 1.00 54.14 H new ATOM 295 N GLU A 316 3.036 1.157 -14.521 1.00 75.43 N ATOM 296 CA GLU A 316 1.970 0.982 -13.643 1.00 15.30 C ATOM 297 C GLU A 316 1.066 2.085 -14.009 1.00 13.31 C ATOM 298 O GLU A 316 -0.032 1.950 -14.501 1.00 42.02 O ATOM 299 CB GLU A 316 2.349 1.042 -12.149 1.00 32.43 C ATOM 300 CG GLU A 316 3.863 1.150 -11.898 1.00 3.53 C ATOM 301 CD GLU A 316 4.084 1.620 -10.490 1.00 41.11 C ATOM 302 OE1 GLU A 316 3.515 2.699 -10.125 1.00 20.13 O ATOM 303 OE2 GLU A 316 4.869 1.015 -9.777 1.00 71.34 O ATOM 0 H GLU A 316 3.248 2.137 -14.710 1.00 75.43 H new ATOM 0 HA GLU A 316 1.537 -0.014 -13.740 1.00 15.30 H new ATOM 0 HB2 GLU A 316 1.852 1.897 -11.691 1.00 32.43 H new ATOM 0 HB3 GLU A 316 1.970 0.149 -11.651 1.00 32.43 H new ATOM 0 HG2 GLU A 316 4.342 0.183 -12.053 1.00 3.53 H new ATOM 0 HG3 GLU A 316 4.315 1.847 -12.604 1.00 3.53 H new ATOM 310 N CYS A 317 1.671 3.254 -13.755 1.00 53.42 N ATOM 311 CA CYS A 317 1.083 4.558 -13.814 1.00 43.05 C ATOM 312 C CYS A 317 1.827 5.375 -14.868 1.00 2.30 C ATOM 313 O CYS A 317 1.299 6.354 -15.352 1.00 52.42 O ATOM 314 CB CYS A 317 1.349 5.269 -12.465 1.00 31.35 C ATOM 315 SG CYS A 317 3.060 4.838 -11.932 1.00 24.30 S ATOM 0 H CYS A 317 2.654 3.292 -13.486 1.00 53.42 H new ATOM 0 HA CYS A 317 0.019 4.475 -14.035 1.00 43.05 H new ATOM 0 HB2 CYS A 317 1.243 6.348 -12.574 1.00 31.35 H new ATOM 0 HB3 CYS A 317 0.624 4.952 -11.716 1.00 31.35 H new ATOM 0 HG CYS A 317 3.015 3.861 -11.076 1.00 24.30 H new ATOM 320 N GLY A 318 3.086 4.969 -15.263 1.00 52.45 N ATOM 321 CA GLY A 318 3.853 5.797 -16.199 1.00 33.10 C ATOM 322 C GLY A 318 4.795 6.724 -15.462 1.00 72.43 C ATOM 323 O GLY A 318 5.192 7.744 -16.000 1.00 4.22 O ATOM 0 H GLY A 318 3.550 4.115 -14.953 1.00 52.45 H new ATOM 0 HA2 GLY A 318 4.422 5.157 -16.873 1.00 33.10 H new ATOM 0 HA3 GLY A 318 3.170 6.382 -16.815 1.00 33.10 H new ATOM 327 N HIS A 319 5.168 6.409 -14.198 1.00 34.30 N ATOM 328 CA HIS A 319 6.116 7.279 -13.472 1.00 21.20 C ATOM 329 C HIS A 319 7.505 6.873 -13.932 1.00 62.21 C ATOM 330 O HIS A 319 7.812 5.676 -13.977 1.00 54.24 O ATOM 331 CB HIS A 319 6.055 7.141 -11.909 1.00 11.44 C ATOM 332 CG HIS A 319 5.188 8.194 -11.175 1.00 55.21 C ATOM 333 ND1 HIS A 319 4.331 7.802 -10.130 1.00 71.11 N ATOM 334 CD2 HIS A 319 5.093 9.541 -11.366 1.00 41.04 C ATOM 335 CE1 HIS A 319 3.752 8.911 -9.735 1.00 32.43 C ATOM 336 NE2 HIS A 319 4.173 9.990 -10.442 1.00 24.34 N ATOM 0 H HIS A 319 4.842 5.593 -13.680 1.00 34.30 H new ATOM 0 HA HIS A 319 5.859 8.315 -13.693 1.00 21.20 H new ATOM 0 HB2 HIS A 319 5.674 6.149 -11.665 1.00 11.44 H new ATOM 0 HB3 HIS A 319 7.071 7.197 -11.518 1.00 11.44 H new ATOM 0 HD1 HIS A 319 4.191 6.862 -9.761 1.00 71.11 H new ATOM 0 HD2 HIS A 319 5.629 10.135 -12.092 1.00 41.04 H new ATOM 0 HE1 HIS A 319 3.024 8.960 -8.939 1.00 32.43 H new ATOM 344 N VAL A 320 8.376 7.854 -14.202 1.00 23.20 N ATOM 345 CA VAL A 320 9.731 7.591 -14.666 1.00 11.20 C ATOM 346 C VAL A 320 10.576 7.975 -13.504 1.00 73.52 C ATOM 347 O VAL A 320 10.614 9.152 -13.146 1.00 5.12 O ATOM 348 CB VAL A 320 10.133 8.459 -15.860 1.00 73.32 C ATOM 349 CG1 VAL A 320 11.384 7.854 -16.531 1.00 52.12 C ATOM 350 CG2 VAL A 320 8.932 8.549 -16.829 1.00 42.11 C ATOM 0 H VAL A 320 8.156 8.845 -14.103 1.00 23.20 H new ATOM 0 HA VAL A 320 9.833 6.557 -14.994 1.00 11.20 H new ATOM 0 HB VAL A 320 10.390 9.470 -15.544 1.00 73.32 H new ATOM 0 HG11 VAL A 320 11.674 8.470 -17.383 1.00 52.12 H new ATOM 0 HG12 VAL A 320 12.202 7.821 -15.812 1.00 52.12 H new ATOM 0 HG13 VAL A 320 11.161 6.844 -16.873 1.00 52.12 H new ATOM 0 HG21 VAL A 320 9.202 9.165 -17.687 1.00 42.11 H new ATOM 0 HG22 VAL A 320 8.664 7.549 -17.170 1.00 42.11 H new ATOM 0 HG23 VAL A 320 8.082 8.996 -16.314 1.00 42.11 H new ATOM 360 N CYS A 321 11.254 7.007 -12.832 1.00 65.43 N ATOM 361 CA CYS A 321 11.943 7.432 -11.616 1.00 0.22 C ATOM 362 C CYS A 321 13.109 6.546 -11.258 1.00 51.53 C ATOM 363 O CYS A 321 13.922 6.928 -10.393 1.00 51.33 O ATOM 364 CB CYS A 321 10.989 7.501 -10.385 1.00 24.13 C ATOM 365 SG CYS A 321 9.544 6.383 -10.536 1.00 22.10 S ATOM 0 H CYS A 321 11.330 6.023 -13.089 1.00 65.43 H new ATOM 0 HA CYS A 321 12.314 8.430 -11.849 1.00 0.22 H new ATOM 0 HB2 CYS A 321 11.547 7.245 -9.485 1.00 24.13 H new ATOM 0 HB3 CYS A 321 10.638 8.525 -10.261 1.00 24.13 H new ATOM 0 HG CYS A 321 9.839 5.222 -10.031 1.00 22.10 H new ATOM 371 N SER A 322 13.282 5.365 -11.883 1.00 34.11 N ATOM 372 CA SER A 322 14.320 4.477 -11.402 1.00 22.42 C ATOM 373 C SER A 322 15.324 4.242 -12.465 1.00 62.14 C ATOM 374 O SER A 322 15.222 4.733 -13.568 1.00 5.32 O ATOM 375 CB SER A 322 13.827 3.117 -10.849 1.00 51.01 C ATOM 376 OG SER A 322 14.763 2.612 -9.861 1.00 44.43 O ATOM 0 H SER A 322 12.740 5.029 -12.679 1.00 34.11 H new ATOM 0 HA SER A 322 14.759 4.998 -10.551 1.00 22.42 H new ATOM 0 HB2 SER A 322 12.840 3.234 -10.400 1.00 51.01 H new ATOM 0 HB3 SER A 322 13.724 2.400 -11.664 1.00 51.01 H new ATOM 0 HG SER A 322 14.442 1.753 -9.516 1.00 44.43 H new ATOM 382 N CYS A 323 16.356 3.472 -12.094 1.00 5.25 N ATOM 383 CA CYS A 323 17.444 3.156 -12.957 1.00 1.21 C ATOM 384 C CYS A 323 17.426 1.665 -12.960 1.00 1.33 C ATOM 385 O CYS A 323 17.089 1.067 -11.920 1.00 5.33 O ATOM 386 CB CYS A 323 18.861 3.746 -12.486 1.00 11.13 C ATOM 387 SG CYS A 323 19.746 2.826 -11.163 1.00 60.31 S ATOM 0 H CYS A 323 16.436 3.057 -11.166 1.00 5.25 H new ATOM 0 HA CYS A 323 17.327 3.607 -13.942 1.00 1.21 H new ATOM 0 HB2 CYS A 323 19.513 3.798 -13.358 1.00 11.13 H new ATOM 0 HB3 CYS A 323 18.705 4.769 -12.142 1.00 11.13 H new ATOM 0 HG CYS A 323 20.730 3.548 -10.716 1.00 60.31 H new ATOM 392 N THR A 324 17.789 1.041 -14.094 1.00 73.12 N ATOM 393 CA THR A 324 17.644 -0.407 -14.303 1.00 14.10 C ATOM 394 C THR A 324 18.271 -1.194 -13.178 1.00 0.50 C ATOM 395 O THR A 324 17.654 -2.102 -12.632 1.00 11.40 O ATOM 396 CB THR A 324 18.256 -0.872 -15.616 1.00 24.21 C ATOM 397 OG1 THR A 324 18.200 0.181 -16.592 1.00 40.33 O ATOM 398 CG2 THR A 324 17.486 -2.103 -16.121 1.00 22.34 C ATOM 0 H THR A 324 18.192 1.530 -14.893 1.00 73.12 H new ATOM 0 HA THR A 324 16.570 -0.592 -14.332 1.00 14.10 H new ATOM 0 HB THR A 324 19.301 -1.136 -15.455 1.00 24.21 H new ATOM 0 HG1 THR A 324 17.310 0.591 -16.580 1.00 40.33 H new ATOM 0 HG21 THR A 324 17.919 -2.442 -17.062 1.00 22.34 H new ATOM 0 HG22 THR A 324 17.552 -2.902 -15.382 1.00 22.34 H new ATOM 0 HG23 THR A 324 16.440 -1.839 -16.277 1.00 22.34 H new ATOM 406 N GLU A 325 19.493 -0.817 -12.777 1.00 32.31 N ATOM 407 CA GLU A 325 20.223 -1.578 -11.784 1.00 3.13 C ATOM 408 C GLU A 325 19.543 -1.497 -10.447 1.00 73.11 C ATOM 409 O GLU A 325 19.572 -2.423 -9.710 1.00 53.33 O ATOM 410 CB GLU A 325 21.652 -1.096 -11.611 1.00 13.20 C ATOM 411 CG GLU A 325 22.432 -1.067 -12.941 1.00 20.24 C ATOM 412 CD GLU A 325 22.636 0.377 -13.356 1.00 23.20 C ATOM 413 OE1 GLU A 325 23.807 0.767 -13.613 1.00 0.43 O ATOM 414 OE2 GLU A 325 21.600 1.120 -13.406 1.00 1.21 O ATOM 0 H GLU A 325 19.984 0.005 -13.128 1.00 32.31 H new ATOM 0 HA GLU A 325 20.240 -2.605 -12.149 1.00 3.13 H new ATOM 0 HB2 GLU A 325 21.644 -0.096 -11.176 1.00 13.20 H new ATOM 0 HB3 GLU A 325 22.168 -1.747 -10.905 1.00 13.20 H new ATOM 0 HG2 GLU A 325 23.394 -1.566 -12.825 1.00 20.24 H new ATOM 0 HG3 GLU A 325 21.883 -1.608 -13.712 1.00 20.24 H new ATOM 421 N CYS A 326 18.885 -0.369 -10.140 1.00 11.31 N ATOM 422 CA CYS A 326 18.235 -0.217 -8.818 1.00 73.35 C ATOM 423 C CYS A 326 17.127 -1.221 -8.736 1.00 74.41 C ATOM 424 O CYS A 326 16.922 -1.849 -7.706 1.00 34.23 O ATOM 425 CB CYS A 326 17.568 1.170 -8.592 1.00 12.13 C ATOM 426 SG CYS A 326 18.526 2.294 -7.552 1.00 12.13 S ATOM 0 H CYS A 326 18.787 0.432 -10.764 1.00 11.31 H new ATOM 0 HA CYS A 326 19.020 -0.345 -8.073 1.00 73.35 H new ATOM 0 HB2 CYS A 326 17.402 1.642 -9.560 1.00 12.13 H new ATOM 0 HB3 CYS A 326 16.588 1.020 -8.138 1.00 12.13 H new ATOM 0 HG CYS A 326 18.356 3.516 -7.962 1.00 12.13 H new ATOM 431 N TYR A 327 16.366 -1.342 -9.837 1.00 1.14 N ATOM 432 CA TYR A 327 15.234 -2.234 -9.871 1.00 53.51 C ATOM 433 C TYR A 327 15.755 -3.653 -9.777 1.00 40.03 C ATOM 434 O TYR A 327 15.611 -4.318 -8.750 1.00 65.21 O ATOM 435 CB TYR A 327 14.433 -2.072 -11.210 1.00 2.03 C ATOM 436 CG TYR A 327 13.196 -2.920 -11.363 1.00 15.30 C ATOM 437 CD1 TYR A 327 12.027 -2.577 -10.724 1.00 15.14 C ATOM 438 CD2 TYR A 327 13.208 -4.049 -12.165 1.00 22.40 C ATOM 439 CE1 TYR A 327 10.896 -3.341 -10.881 1.00 25.31 C ATOM 440 CE2 TYR A 327 12.072 -4.810 -12.314 1.00 42.42 C ATOM 441 CZ TYR A 327 10.916 -4.452 -11.670 1.00 12.12 C ATOM 442 OH TYR A 327 9.744 -5.224 -11.826 1.00 32.23 O ATOM 0 H TYR A 327 16.527 -0.828 -10.703 1.00 1.14 H new ATOM 0 HA TYR A 327 14.566 -2.002 -9.042 1.00 53.51 H new ATOM 0 HB2 TYR A 327 14.143 -1.026 -11.309 1.00 2.03 H new ATOM 0 HB3 TYR A 327 15.105 -2.297 -12.038 1.00 2.03 H new ATOM 0 HD1 TYR A 327 11.998 -1.700 -10.094 1.00 15.14 H new ATOM 0 HD2 TYR A 327 14.115 -4.334 -12.677 1.00 22.40 H new ATOM 0 HE1 TYR A 327 9.984 -3.059 -10.375 1.00 25.31 H new ATOM 0 HE2 TYR A 327 12.091 -5.691 -12.939 1.00 42.42 H new ATOM 0 HH TYR A 327 9.928 -5.981 -12.421 1.00 32.23 H new ATOM 452 N ARG A 328 16.558 -4.045 -10.798 1.00 14.23 N ATOM 453 CA ARG A 328 16.966 -5.430 -10.996 1.00 1.44 C ATOM 454 C ARG A 328 17.776 -5.916 -9.827 1.00 2.01 C ATOM 455 O ARG A 328 17.701 -7.088 -9.453 1.00 33.14 O ATOM 456 CB ARG A 328 17.791 -5.627 -12.294 1.00 60.12 C ATOM 457 CG ARG A 328 17.560 -6.978 -12.972 1.00 4.13 C ATOM 458 CD ARG A 328 18.619 -8.025 -12.584 1.00 42.02 C ATOM 459 NE ARG A 328 17.918 -9.198 -11.964 1.00 74.14 N ATOM 460 CZ ARG A 328 17.423 -10.223 -12.737 1.00 61.41 C ATOM 461 NH1 ARG A 328 17.574 -10.200 -14.105 1.00 40.03 N ATOM 462 NH2 ARG A 328 16.770 -11.271 -12.134 1.00 74.14 N ATOM 0 H ARG A 328 16.931 -3.402 -11.496 1.00 14.23 H new ATOM 0 HA ARG A 328 16.048 -6.010 -11.085 1.00 1.44 H new ATOM 0 HB2 ARG A 328 17.542 -4.831 -12.996 1.00 60.12 H new ATOM 0 HB3 ARG A 328 18.851 -5.525 -12.059 1.00 60.12 H new ATOM 0 HG2 ARG A 328 16.571 -7.350 -12.704 1.00 4.13 H new ATOM 0 HG3 ARG A 328 17.567 -6.843 -14.054 1.00 4.13 H new ATOM 0 HD2 ARG A 328 19.181 -8.340 -13.463 1.00 42.02 H new ATOM 0 HD3 ARG A 328 19.336 -7.598 -11.883 1.00 42.02 H new ATOM 0 HE ARG A 328 17.806 -9.236 -10.951 1.00 74.14 H new ATOM 0 HH11 ARG A 328 18.055 -9.420 -14.552 1.00 40.03 H new ATOM 0 HH12 ARG A 328 17.205 -10.963 -14.672 1.00 40.03 H new ATOM 0 HH21 ARG A 328 16.655 -11.285 -11.121 1.00 74.14 H new ATOM 0 HH22 ARG A 328 16.400 -12.035 -12.700 1.00 74.14 H new ATOM 476 N ALA A 329 18.528 -5.019 -9.207 1.00 34.12 N ATOM 477 CA ALA A 329 19.379 -5.398 -8.114 1.00 32.33 C ATOM 478 C ALA A 329 18.534 -5.697 -6.926 1.00 20.24 C ATOM 479 O ALA A 329 18.664 -6.750 -6.324 1.00 24.43 O ATOM 480 CB ALA A 329 20.352 -4.282 -7.680 1.00 35.35 C ATOM 0 H ALA A 329 18.559 -4.029 -9.449 1.00 34.12 H new ATOM 0 HA ALA A 329 19.956 -6.255 -8.461 1.00 32.33 H new ATOM 0 HB1 ALA A 329 20.965 -4.636 -6.851 1.00 35.35 H new ATOM 0 HB2 ALA A 329 20.995 -4.014 -8.518 1.00 35.35 H new ATOM 0 HB3 ALA A 329 19.784 -3.407 -7.364 1.00 35.35 H new ATOM 486 N LEU A 330 17.685 -4.752 -6.546 1.00 55.31 N ATOM 487 CA LEU A 330 16.926 -4.846 -5.301 1.00 12.04 C ATOM 488 C LEU A 330 15.817 -5.845 -5.474 1.00 34.21 C ATOM 489 O LEU A 330 14.906 -5.587 -6.236 1.00 64.45 O ATOM 490 CB LEU A 330 16.285 -3.466 -4.957 1.00 2.21 C ATOM 491 CG LEU A 330 15.402 -3.419 -3.694 1.00 11.05 C ATOM 492 CD1 LEU A 330 16.011 -4.165 -2.493 1.00 21.32 C ATOM 493 CD2 LEU A 330 15.016 -1.978 -3.319 1.00 35.24 C ATOM 0 H LEU A 330 17.502 -3.905 -7.084 1.00 55.31 H new ATOM 0 HA LEU A 330 17.601 -5.150 -4.501 1.00 12.04 H new ATOM 0 HB2 LEU A 330 17.086 -2.736 -4.842 1.00 2.21 H new ATOM 0 HB3 LEU A 330 15.683 -3.147 -5.808 1.00 2.21 H new ATOM 0 HG LEU A 330 14.490 -3.955 -3.954 1.00 11.05 H new ATOM 0 HD11 LEU A 330 15.337 -4.091 -1.639 1.00 21.32 H new ATOM 0 HD12 LEU A 330 16.156 -5.214 -2.752 1.00 21.32 H new ATOM 0 HD13 LEU A 330 16.972 -3.719 -2.237 1.00 21.32 H new ATOM 0 HD21 LEU A 330 14.394 -1.989 -2.424 1.00 35.24 H new ATOM 0 HD22 LEU A 330 15.919 -1.398 -3.127 1.00 35.24 H new ATOM 0 HD23 LEU A 330 14.461 -1.524 -4.140 1.00 35.24 H new ATOM 505 N PRO A 331 15.837 -7.019 -4.807 1.00 43.45 N ATOM 506 CA PRO A 331 14.690 -7.866 -4.921 1.00 14.23 C ATOM 507 C PRO A 331 13.753 -7.685 -3.759 1.00 32.41 C ATOM 508 O PRO A 331 14.067 -7.994 -2.602 1.00 72.24 O ATOM 509 CB PRO A 331 15.331 -9.272 -4.859 1.00 20.10 C ATOM 510 CG PRO A 331 16.639 -9.089 -4.044 1.00 42.23 C ATOM 511 CD PRO A 331 16.870 -7.568 -3.933 1.00 11.40 C ATOM 0 HA PRO A 331 14.097 -7.669 -5.814 1.00 14.23 H new ATOM 0 HB2 PRO A 331 14.664 -9.988 -4.378 1.00 20.10 H new ATOM 0 HB3 PRO A 331 15.540 -9.654 -5.858 1.00 20.10 H new ATOM 0 HG2 PRO A 331 16.549 -9.542 -3.057 1.00 42.23 H new ATOM 0 HG3 PRO A 331 17.478 -9.575 -4.542 1.00 42.23 H new ATOM 0 HD2 PRO A 331 16.761 -7.216 -2.907 1.00 11.40 H new ATOM 0 HD3 PRO A 331 17.870 -7.286 -4.262 1.00 11.40 H new ATOM 519 N GLU A 332 12.598 -7.157 -4.065 1.00 4.04 N ATOM 520 CA GLU A 332 11.449 -7.106 -3.213 1.00 11.33 C ATOM 521 C GLU A 332 10.383 -7.109 -4.227 1.00 1.43 C ATOM 522 O GLU A 332 10.688 -7.123 -5.424 1.00 51.41 O ATOM 523 CB GLU A 332 11.344 -5.808 -2.346 1.00 42.54 C ATOM 524 CG GLU A 332 12.329 -4.722 -2.765 1.00 31.41 C ATOM 525 CD GLU A 332 11.995 -3.435 -2.035 1.00 12.14 C ATOM 526 OE1 GLU A 332 11.691 -2.419 -2.727 1.00 22.30 O ATOM 527 OE2 GLU A 332 12.043 -3.443 -0.774 1.00 13.13 O ATOM 0 H GLU A 332 12.428 -6.725 -4.973 1.00 4.04 H new ATOM 0 HA GLU A 332 11.438 -7.907 -2.474 1.00 11.33 H new ATOM 0 HB2 GLU A 332 10.330 -5.415 -2.414 1.00 42.54 H new ATOM 0 HB3 GLU A 332 11.518 -6.063 -1.300 1.00 42.54 H new ATOM 0 HG2 GLU A 332 13.349 -5.031 -2.534 1.00 31.41 H new ATOM 0 HG3 GLU A 332 12.280 -4.566 -3.843 1.00 31.41 H new ATOM 534 N PRO A 333 9.137 -7.100 -3.841 1.00 43.41 N ATOM 535 CA PRO A 333 8.168 -6.575 -4.762 1.00 0.21 C ATOM 536 C PRO A 333 8.334 -5.070 -4.682 1.00 55.03 C ATOM 537 O PRO A 333 8.210 -4.482 -3.593 1.00 73.34 O ATOM 538 CB PRO A 333 6.805 -7.007 -4.197 1.00 53.41 C ATOM 539 CG PRO A 333 7.065 -7.378 -2.725 1.00 33.34 C ATOM 540 CD PRO A 333 8.570 -7.646 -2.597 1.00 61.22 C ATOM 0 HA PRO A 333 8.268 -6.911 -5.794 1.00 0.21 H new ATOM 0 HB2 PRO A 333 6.075 -6.201 -4.275 1.00 53.41 H new ATOM 0 HB3 PRO A 333 6.403 -7.856 -4.750 1.00 53.41 H new ATOM 0 HG2 PRO A 333 6.758 -6.569 -2.062 1.00 33.34 H new ATOM 0 HG3 PRO A 333 6.489 -8.259 -2.440 1.00 33.34 H new ATOM 0 HD2 PRO A 333 8.989 -7.156 -1.719 1.00 61.22 H new ATOM 0 HD3 PRO A 333 8.779 -8.711 -2.497 1.00 61.22 H new ATOM 548 N LYS A 334 8.648 -4.416 -5.799 1.00 63.34 N ATOM 549 CA LYS A 334 8.963 -3.018 -5.730 1.00 42.33 C ATOM 550 C LYS A 334 7.748 -2.234 -6.003 1.00 74.32 C ATOM 551 O LYS A 334 6.887 -2.624 -6.805 1.00 41.42 O ATOM 552 CB LYS A 334 10.064 -2.587 -6.711 1.00 1.23 C ATOM 553 CG LYS A 334 11.463 -2.979 -6.243 1.00 33.31 C ATOM 554 CD LYS A 334 12.264 -3.688 -7.316 1.00 65.11 C ATOM 555 CE LYS A 334 11.988 -5.183 -7.375 1.00 3.41 C ATOM 556 NZ LYS A 334 12.390 -5.730 -8.680 1.00 42.02 N ATOM 0 H LYS A 334 8.687 -4.830 -6.731 1.00 63.34 H new ATOM 0 HA LYS A 334 9.342 -2.832 -4.725 1.00 42.33 H new ATOM 0 HB2 LYS A 334 9.873 -3.038 -7.685 1.00 1.23 H new ATOM 0 HB3 LYS A 334 10.021 -1.506 -6.846 1.00 1.23 H new ATOM 0 HG2 LYS A 334 11.999 -2.084 -5.927 1.00 33.31 H new ATOM 0 HG3 LYS A 334 11.381 -3.626 -5.370 1.00 33.31 H new ATOM 0 HD2 LYS A 334 12.036 -3.244 -8.285 1.00 65.11 H new ATOM 0 HD3 LYS A 334 13.327 -3.527 -7.134 1.00 65.11 H new ATOM 0 HE2 LYS A 334 12.531 -5.691 -6.578 1.00 3.41 H new ATOM 0 HE3 LYS A 334 10.927 -5.370 -7.207 1.00 3.41 H new ATOM 0 HZ1 LYS A 334 12.103 -6.728 -8.742 1.00 42.02 H new ATOM 0 HZ2 LYS A 334 11.930 -5.189 -9.440 1.00 42.02 H new ATOM 0 HZ3 LYS A 334 13.423 -5.660 -8.782 1.00 42.02 H new ATOM 570 N LYS A 335 7.670 -1.097 -5.326 1.00 53.21 N ATOM 571 CA LYS A 335 6.584 -0.210 -5.456 1.00 2.12 C ATOM 572 C LYS A 335 7.120 1.003 -6.116 1.00 32.14 C ATOM 573 O LYS A 335 8.323 1.265 -6.108 1.00 5.11 O ATOM 574 CB LYS A 335 5.969 0.220 -4.098 1.00 11.43 C ATOM 575 CG LYS A 335 5.720 -0.949 -3.137 1.00 64.11 C ATOM 576 CD LYS A 335 4.462 -1.768 -3.468 1.00 32.13 C ATOM 577 CE LYS A 335 4.720 -3.276 -3.599 1.00 3.03 C ATOM 578 NZ LYS A 335 5.562 -3.758 -2.479 1.00 3.33 N ATOM 0 H LYS A 335 8.384 -0.784 -4.668 1.00 53.21 H new ATOM 0 HA LYS A 335 5.794 -0.710 -6.016 1.00 2.12 H new ATOM 0 HB2 LYS A 335 6.635 0.938 -3.619 1.00 11.43 H new ATOM 0 HB3 LYS A 335 5.026 0.734 -4.283 1.00 11.43 H new ATOM 0 HG2 LYS A 335 6.587 -1.610 -3.152 1.00 64.11 H new ATOM 0 HG3 LYS A 335 5.633 -0.561 -2.122 1.00 64.11 H new ATOM 0 HD2 LYS A 335 3.717 -1.603 -2.690 1.00 32.13 H new ATOM 0 HD3 LYS A 335 4.035 -1.400 -4.401 1.00 32.13 H new ATOM 0 HE2 LYS A 335 3.772 -3.814 -3.606 1.00 3.03 H new ATOM 0 HE3 LYS A 335 5.213 -3.485 -4.548 1.00 3.03 H new ATOM 0 HZ1 LYS A 335 5.206 -4.677 -2.148 1.00 3.33 H new ATOM 0 HZ2 LYS A 335 6.544 -3.864 -2.804 1.00 3.33 H new ATOM 0 HZ3 LYS A 335 5.528 -3.072 -1.698 1.00 3.33 H new ATOM 592 N CYS A 336 6.222 1.754 -6.750 1.00 61.41 N ATOM 593 CA CYS A 336 6.535 3.028 -7.349 1.00 71.43 C ATOM 594 C CYS A 336 7.035 3.918 -6.229 1.00 61.25 C ATOM 595 O CYS A 336 6.294 4.187 -5.319 1.00 34.14 O ATOM 596 CB CYS A 336 5.274 3.703 -7.931 1.00 32.33 C ATOM 597 SG CYS A 336 5.627 4.755 -9.376 1.00 64.11 S ATOM 0 H CYS A 336 5.245 1.481 -6.858 1.00 61.41 H new ATOM 0 HA CYS A 336 7.260 2.883 -8.150 1.00 71.43 H new ATOM 0 HB2 CYS A 336 4.556 2.934 -8.216 1.00 32.33 H new ATOM 0 HB3 CYS A 336 4.802 4.307 -7.156 1.00 32.33 H new ATOM 0 HG CYS A 336 4.652 4.660 -10.230 1.00 64.11 H new ATOM 602 N PRO A 337 8.243 4.434 -6.318 1.00 34.42 N ATOM 603 CA PRO A 337 8.798 5.277 -5.244 1.00 21.33 C ATOM 604 C PRO A 337 8.017 6.546 -5.003 1.00 73.22 C ATOM 605 O PRO A 337 8.070 7.121 -3.933 1.00 63.54 O ATOM 606 CB PRO A 337 10.233 5.606 -5.700 1.00 45.24 C ATOM 607 CG PRO A 337 10.267 5.284 -7.189 1.00 3.53 C ATOM 608 CD PRO A 337 9.187 4.234 -7.427 1.00 43.01 C ATOM 0 HA PRO A 337 8.757 4.747 -4.293 1.00 21.33 H new ATOM 0 HB2 PRO A 337 10.472 6.654 -5.519 1.00 45.24 H new ATOM 0 HB3 PRO A 337 10.965 5.012 -5.153 1.00 45.24 H new ATOM 0 HG2 PRO A 337 10.078 6.177 -7.784 1.00 3.53 H new ATOM 0 HG3 PRO A 337 11.247 4.907 -7.483 1.00 3.53 H new ATOM 0 HD2 PRO A 337 8.702 4.373 -8.393 1.00 43.01 H new ATOM 0 HD3 PRO A 337 9.602 3.226 -7.420 1.00 43.01 H new ATOM 616 N ILE A 338 7.259 6.992 -6.024 1.00 63.43 N ATOM 617 CA ILE A 338 6.532 8.228 -5.918 1.00 31.43 C ATOM 618 C ILE A 338 5.115 7.958 -5.446 1.00 42.52 C ATOM 619 O ILE A 338 4.572 8.716 -4.660 1.00 3.14 O ATOM 620 CB ILE A 338 6.433 8.979 -7.246 1.00 53.34 C ATOM 621 CG1 ILE A 338 7.606 8.653 -8.199 1.00 0.02 C ATOM 622 CG2 ILE A 338 6.355 10.480 -6.955 1.00 15.10 C ATOM 623 CD1 ILE A 338 8.932 9.274 -7.764 1.00 54.23 C ATOM 0 H ILE A 338 7.148 6.506 -6.914 1.00 63.43 H new ATOM 0 HA ILE A 338 7.086 8.842 -5.208 1.00 31.43 H new ATOM 0 HB ILE A 338 5.530 8.654 -7.763 1.00 53.34 H new ATOM 0 HG12 ILE A 338 7.723 7.571 -8.262 1.00 0.02 H new ATOM 0 HG13 ILE A 338 7.359 9.006 -9.200 1.00 0.02 H new ATOM 0 HG21 ILE A 338 6.284 11.029 -7.894 1.00 15.10 H new ATOM 0 HG22 ILE A 338 5.475 10.687 -6.346 1.00 15.10 H new ATOM 0 HG23 ILE A 338 7.250 10.794 -6.418 1.00 15.10 H new ATOM 0 HD11 ILE A 338 9.711 9.005 -8.477 1.00 54.23 H new ATOM 0 HD12 ILE A 338 8.831 10.359 -7.728 1.00 54.23 H new ATOM 0 HD13 ILE A 338 9.201 8.902 -6.775 1.00 54.23 H new ATOM 635 N CYS A 339 4.491 6.836 -5.899 1.00 23.50 N ATOM 636 CA CYS A 339 3.048 6.698 -5.680 1.00 62.11 C ATOM 637 C CYS A 339 2.719 5.428 -4.927 1.00 22.20 C ATOM 638 O CYS A 339 1.573 5.139 -4.698 1.00 44.02 O ATOM 639 CB CYS A 339 2.216 6.783 -7.001 1.00 74.34 C ATOM 640 SG CYS A 339 2.273 5.271 -8.011 1.00 23.45 S ATOM 0 H CYS A 339 4.943 6.063 -6.388 1.00 23.50 H new ATOM 0 HA CYS A 339 2.758 7.551 -5.067 1.00 62.11 H new ATOM 0 HB2 CYS A 339 1.178 7.001 -6.751 1.00 74.34 H new ATOM 0 HB3 CYS A 339 2.583 7.619 -7.596 1.00 74.34 H new ATOM 0 HG CYS A 339 1.228 5.225 -8.782 1.00 23.45 H new ATOM 645 N ARG A 340 3.732 4.601 -4.627 1.00 0.23 N ATOM 646 CA ARG A 340 3.561 3.401 -3.787 1.00 44.01 C ATOM 647 C ARG A 340 2.724 2.309 -4.454 1.00 41.33 C ATOM 648 O ARG A 340 2.369 1.332 -3.807 1.00 40.31 O ATOM 649 CB ARG A 340 3.023 3.680 -2.362 1.00 2.21 C ATOM 650 CG ARG A 340 3.851 4.734 -1.601 1.00 62.24 C ATOM 651 CD ARG A 340 5.370 4.493 -1.685 1.00 24.30 C ATOM 652 NE ARG A 340 6.023 5.303 -0.622 1.00 41.44 N ATOM 653 CZ ARG A 340 7.381 5.291 -0.482 1.00 5.34 C ATOM 654 NH1 ARG A 340 8.161 4.540 -1.328 1.00 52.12 N ATOM 655 NH2 ARG A 340 7.959 6.024 0.507 1.00 23.13 N ATOM 0 H ARG A 340 4.687 4.742 -4.956 1.00 0.23 H new ATOM 0 HA ARG A 340 4.581 3.035 -3.675 1.00 44.01 H new ATOM 0 HB2 ARG A 340 1.989 4.018 -2.430 1.00 2.21 H new ATOM 0 HB3 ARG A 340 3.018 2.750 -1.793 1.00 2.21 H new ATOM 0 HG2 ARG A 340 3.624 5.722 -2.001 1.00 62.24 H new ATOM 0 HG3 ARG A 340 3.548 4.737 -0.554 1.00 62.24 H new ATOM 0 HD2 ARG A 340 5.596 3.435 -1.551 1.00 24.30 H new ATOM 0 HD3 ARG A 340 5.747 4.778 -2.667 1.00 24.30 H new ATOM 0 HE ARG A 340 5.453 5.870 0.006 1.00 41.44 H new ATOM 0 HH11 ARG A 340 7.726 3.987 -2.066 1.00 52.12 H new ATOM 0 HH12 ARG A 340 9.175 4.536 -1.218 1.00 52.12 H new ATOM 0 HH21 ARG A 340 7.379 6.577 1.137 1.00 23.13 H new ATOM 0 HH22 ARG A 340 8.973 6.020 0.618 1.00 23.13 H new ATOM 669 N GLN A 341 2.384 2.447 -5.761 1.00 53.15 N ATOM 670 CA GLN A 341 1.667 1.369 -6.468 1.00 53.13 C ATOM 671 C GLN A 341 2.682 0.320 -6.772 1.00 72.12 C ATOM 672 O GLN A 341 3.822 0.659 -7.048 1.00 65.32 O ATOM 673 CB GLN A 341 1.143 1.791 -7.851 1.00 23.21 C ATOM 674 CG GLN A 341 -0.124 2.638 -7.848 1.00 72.31 C ATOM 675 CD GLN A 341 -0.269 3.179 -9.273 1.00 1.15 C ATOM 676 OE1 GLN A 341 0.743 3.572 -9.898 1.00 63.43 O ATOM 677 NE2 GLN A 341 -1.498 3.195 -9.811 1.00 64.15 N ATOM 0 H GLN A 341 2.590 3.270 -6.328 1.00 53.15 H new ATOM 0 HA GLN A 341 0.832 1.064 -5.837 1.00 53.13 H new ATOM 0 HB2 GLN A 341 1.929 2.347 -8.362 1.00 23.21 H new ATOM 0 HB3 GLN A 341 0.955 0.892 -8.438 1.00 23.21 H new ATOM 0 HG2 GLN A 341 -0.992 2.042 -7.566 1.00 72.31 H new ATOM 0 HG3 GLN A 341 -0.048 3.452 -7.127 1.00 72.31 H new ATOM 0 HE21 GLN A 341 -2.297 2.866 -9.268 1.00 64.15 H new ATOM 0 HE22 GLN A 341 -1.634 3.536 -10.763 1.00 64.15 H new ATOM 686 N ALA A 342 2.275 -0.967 -6.735 1.00 72.33 N ATOM 687 CA ALA A 342 3.152 -2.080 -7.124 1.00 40.11 C ATOM 688 C ALA A 342 3.548 -1.891 -8.577 1.00 22.54 C ATOM 689 O ALA A 342 2.792 -1.314 -9.375 1.00 31.10 O ATOM 690 CB ALA A 342 2.483 -3.466 -6.992 1.00 13.42 C ATOM 0 H ALA A 342 1.343 -1.256 -6.439 1.00 72.33 H new ATOM 0 HA ALA A 342 4.007 -2.063 -6.449 1.00 40.11 H new ATOM 0 HB1 ALA A 342 3.187 -4.240 -7.296 1.00 13.42 H new ATOM 0 HB2 ALA A 342 2.188 -3.630 -5.956 1.00 13.42 H new ATOM 0 HB3 ALA A 342 1.601 -3.507 -7.631 1.00 13.42 H new ATOM 696 N ILE A 343 4.736 -2.379 -8.949 1.00 72.15 N ATOM 697 CA ILE A 343 5.205 -2.249 -10.308 1.00 61.45 C ATOM 698 C ILE A 343 4.685 -3.427 -11.084 1.00 71.34 C ATOM 699 O ILE A 343 4.710 -4.563 -10.604 1.00 40.31 O ATOM 700 CB ILE A 343 6.723 -2.165 -10.385 1.00 13.03 C ATOM 701 CG1 ILE A 343 7.199 -0.889 -9.667 1.00 23.30 C ATOM 702 CG2 ILE A 343 7.190 -2.193 -11.854 1.00 44.44 C ATOM 703 CD1 ILE A 343 8.668 -0.878 -9.380 1.00 45.33 C ATOM 0 H ILE A 343 5.378 -2.863 -8.322 1.00 72.15 H new ATOM 0 HA ILE A 343 4.833 -1.317 -10.735 1.00 61.45 H new ATOM 0 HB ILE A 343 7.163 -3.029 -9.887 1.00 13.03 H new ATOM 0 HG12 ILE A 343 6.950 -0.023 -10.280 1.00 23.30 H new ATOM 0 HG13 ILE A 343 6.653 -0.784 -8.730 1.00 23.30 H new ATOM 0 HG21 ILE A 343 8.278 -2.132 -11.891 1.00 44.44 H new ATOM 0 HG22 ILE A 343 6.862 -3.121 -12.322 1.00 44.44 H new ATOM 0 HG23 ILE A 343 6.761 -1.346 -12.388 1.00 44.44 H new ATOM 0 HD11 ILE A 343 8.933 0.050 -8.873 1.00 45.33 H new ATOM 0 HD12 ILE A 343 8.920 -1.725 -8.742 1.00 45.33 H new ATOM 0 HD13 ILE A 343 9.222 -0.951 -10.316 1.00 45.33 H new ATOM 715 N THR A 344 4.150 -3.139 -12.293 1.00 34.40 N ATOM 716 CA THR A 344 3.570 -4.141 -13.144 1.00 43.12 C ATOM 717 C THR A 344 4.563 -4.450 -14.270 1.00 75.41 C ATOM 718 O THR A 344 4.606 -5.568 -14.789 1.00 13.44 O ATOM 719 CB THR A 344 2.236 -3.649 -13.691 1.00 21.25 C ATOM 720 OG1 THR A 344 1.251 -3.629 -12.655 1.00 55.15 O ATOM 721 CG2 THR A 344 1.759 -4.495 -14.868 1.00 63.24 C ATOM 0 H THR A 344 4.120 -2.197 -12.684 1.00 34.40 H new ATOM 0 HA THR A 344 3.374 -5.055 -12.584 1.00 43.12 H new ATOM 0 HB THR A 344 2.384 -2.634 -14.058 1.00 21.25 H new ATOM 0 HG1 THR A 344 0.399 -3.309 -13.020 1.00 55.15 H new ATOM 0 HG21 THR A 344 0.805 -4.111 -15.229 1.00 63.24 H new ATOM 0 HG22 THR A 344 2.495 -4.450 -15.671 1.00 63.24 H new ATOM 0 HG23 THR A 344 1.636 -5.529 -14.546 1.00 63.24 H new ATOM 729 N ARG A 345 5.387 -3.461 -14.652 1.00 24.51 N ATOM 730 CA ARG A 345 6.370 -3.691 -15.689 1.00 0.13 C ATOM 731 C ARG A 345 7.337 -2.579 -15.627 1.00 24.52 C ATOM 732 O ARG A 345 7.134 -1.601 -14.914 1.00 52.01 O ATOM 733 CB ARG A 345 5.810 -3.789 -17.146 1.00 40.52 C ATOM 734 CG ARG A 345 6.387 -4.976 -17.943 1.00 75.14 C ATOM 735 CD ARG A 345 7.128 -4.553 -19.220 1.00 64.11 C ATOM 736 NE ARG A 345 7.677 -5.792 -19.873 1.00 73.23 N ATOM 737 CZ ARG A 345 9.034 -6.029 -19.953 1.00 42.14 C ATOM 738 NH1 ARG A 345 9.935 -5.154 -19.408 1.00 41.43 N ATOM 739 NH2 ARG A 345 9.488 -7.145 -20.596 1.00 4.44 N ATOM 0 H ARG A 345 5.384 -2.519 -14.261 1.00 24.51 H new ATOM 0 HA ARG A 345 6.809 -4.669 -15.490 1.00 0.13 H new ATOM 0 HB2 ARG A 345 4.725 -3.881 -17.105 1.00 40.52 H new ATOM 0 HB3 ARG A 345 6.032 -2.863 -17.676 1.00 40.52 H new ATOM 0 HG2 ARG A 345 7.071 -5.535 -17.304 1.00 75.14 H new ATOM 0 HG3 ARG A 345 5.576 -5.653 -18.210 1.00 75.14 H new ATOM 0 HD2 ARG A 345 6.451 -4.033 -19.898 1.00 64.11 H new ATOM 0 HD3 ARG A 345 7.934 -3.860 -18.980 1.00 64.11 H new ATOM 0 HE ARG A 345 7.029 -6.475 -20.267 1.00 73.23 H new ATOM 0 HH11 ARG A 345 9.606 -4.313 -18.934 1.00 41.43 H new ATOM 0 HH12 ARG A 345 10.935 -5.344 -19.476 1.00 41.43 H new ATOM 0 HH21 ARG A 345 8.825 -7.798 -21.014 1.00 4.44 H new ATOM 0 HH22 ARG A 345 10.490 -7.326 -20.658 1.00 4.44 H new ATOM 753 N VAL A 346 8.413 -2.711 -16.390 1.00 34.30 N ATOM 754 CA VAL A 346 9.434 -1.723 -16.411 1.00 20.22 C ATOM 755 C VAL A 346 9.803 -1.532 -17.846 1.00 64.23 C ATOM 756 O VAL A 346 10.109 -2.482 -18.557 1.00 41.44 O ATOM 757 CB VAL A 346 10.662 -2.093 -15.571 1.00 22.53 C ATOM 758 CG1 VAL A 346 11.247 -3.457 -16.013 1.00 40.31 C ATOM 759 CG2 VAL A 346 11.688 -0.948 -15.622 1.00 44.52 C ATOM 0 H VAL A 346 8.584 -3.509 -17.002 1.00 34.30 H new ATOM 0 HA VAL A 346 9.060 -0.804 -15.959 1.00 20.22 H new ATOM 0 HB VAL A 346 10.369 -2.219 -14.529 1.00 22.53 H new ATOM 0 HG11 VAL A 346 12.117 -3.695 -15.401 1.00 40.31 H new ATOM 0 HG12 VAL A 346 10.492 -4.234 -15.889 1.00 40.31 H new ATOM 0 HG13 VAL A 346 11.544 -3.403 -17.060 1.00 40.31 H new ATOM 0 HG21 VAL A 346 12.560 -1.214 -15.024 1.00 44.52 H new ATOM 0 HG22 VAL A 346 11.994 -0.779 -16.655 1.00 44.52 H new ATOM 0 HG23 VAL A 346 11.238 -0.039 -15.224 1.00 44.52 H new