USER MOD reduce.3.24.130724 H: found=0, std=0, add=236, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 240 hydrogens (4 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 NoAdj-H: A 303 SEP H2 : A 303 SEP N : A 302 LYS C :(H bumps) USER MOD NoAdj-H: A 303 SEP H : A 303 SEP N : A 302 LYS C :(H bumps) USER MOD Set 1.1: A 298 THR OG1 : rot -37:sc= 0.368 USER MOD Set 1.2: A 299 ASN : amide:sc= 0.0169 K(o=0.38,f=-1.8!) USER MOD Single : A 302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 305 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0188) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 LYS NZ :NH3+ -169:sc= 0.8 (180deg=0.639) USER MOD Single : A 308 LYS NZ :NH3+ -158:sc= 1.16 (180deg=0.688) USER MOD Single : A 312 LYS NZ :NH3+ -147:sc= 0.769 (180deg=-0.197!) USER MOD Single : A 319 LYS NZ :NH3+ -168:sc= -0.0132 (180deg=-0.178) USER MOD Single : A 322 SER OG : rot 180:sc= 0.00938 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 16.745 -16.044 13.070 1.00 25.00 N ATOM 2 CA THR A 298 16.072 -17.254 13.614 1.00 25.00 C ATOM 3 C THR A 298 15.306 -16.912 14.891 1.00 25.00 C ATOM 4 O THR A 298 14.291 -16.245 14.814 1.00 25.00 O ATOM 5 CB THR A 298 17.111 -18.368 13.901 1.00 25.00 C ATOM 6 OG1 THR A 298 18.208 -17.819 14.637 1.00 25.00 O ATOM 7 CG2 THR A 298 17.663 -18.955 12.610 1.00 25.00 C ATOM 0 HA THR A 298 15.365 -17.617 12.868 1.00 25.00 H new ATOM 0 HB THR A 298 16.609 -19.152 14.468 1.00 25.00 H new ATOM 0 HG1 THR A 298 18.392 -16.910 14.320 1.00 25.00 H new ATOM 0 HG21 THR A 298 18.389 -19.733 12.845 1.00 25.00 H new ATOM 0 HG22 THR A 298 16.848 -19.383 12.027 1.00 25.00 H new ATOM 0 HG23 THR A 298 18.149 -18.169 12.031 1.00 25.00 H new ATOM 17 N ASN A 299 15.776 -17.346 16.056 1.00 25.00 N ATOM 18 CA ASN A 299 15.077 -17.107 17.327 1.00 25.00 C ATOM 19 C ASN A 299 15.163 -15.641 17.763 1.00 25.00 C ATOM 20 O ASN A 299 14.500 -15.220 18.705 1.00 25.00 O ATOM 21 CB ASN A 299 15.665 -18.002 18.432 1.00 25.00 C ATOM 22 CG ASN A 299 15.676 -19.467 18.054 1.00 25.00 C ATOM 23 OD1 ASN A 299 16.398 -19.869 17.153 1.00 25.00 O ATOM 24 ND2 ASN A 299 14.897 -20.260 18.733 1.00 25.00 N ATOM 0 H ASN A 299 16.646 -17.870 16.153 1.00 25.00 H new ATOM 0 HA ASN A 299 14.027 -17.352 17.168 1.00 25.00 H new ATOM 0 HB2 ASN A 299 16.683 -17.680 18.651 1.00 25.00 H new ATOM 0 HB3 ASN A 299 15.086 -17.871 19.346 1.00 25.00 H new ATOM 0 HD21 ASN A 299 14.874 -21.257 18.520 1.00 25.00 H new ATOM 0 HD22 ASN A 299 14.310 -19.884 19.477 1.00 25.00 H new ATOM 31 N ARG A 300 15.993 -14.874 17.072 1.00 25.00 N ATOM 32 CA ARG A 300 16.133 -13.433 17.295 1.00 25.00 C ATOM 33 C ARG A 300 16.191 -12.850 15.890 1.00 25.00 C ATOM 34 O ARG A 300 16.783 -13.468 14.998 1.00 25.00 O ATOM 35 CB ARG A 300 17.411 -13.095 18.086 1.00 25.00 C ATOM 36 CG ARG A 300 17.273 -13.216 19.624 1.00 25.00 C ATOM 37 CD ARG A 300 17.516 -14.643 20.143 1.00 25.00 C ATOM 38 NE ARG A 300 17.353 -14.736 21.607 1.00 25.00 N ATOM 39 CZ ARG A 300 16.211 -14.976 22.248 1.00 25.00 C ATOM 40 NH1 ARG A 300 15.066 -15.146 21.627 1.00 25.00 N ATOM 41 NH2 ARG A 300 16.222 -15.047 23.549 1.00 25.00 N ATOM 0 H ARG A 300 16.597 -15.233 16.332 1.00 25.00 H new ATOM 0 HA ARG A 300 15.314 -13.029 17.891 1.00 25.00 H new ATOM 0 HB2 ARG A 300 18.212 -13.755 17.754 1.00 25.00 H new ATOM 0 HB3 ARG A 300 17.715 -12.077 17.841 1.00 25.00 H new ATOM 0 HG2 ARG A 300 17.981 -12.538 20.100 1.00 25.00 H new ATOM 0 HG3 ARG A 300 16.274 -12.894 19.919 1.00 25.00 H new ATOM 0 HD2 ARG A 300 16.822 -15.328 19.657 1.00 25.00 H new ATOM 0 HD3 ARG A 300 18.522 -14.961 19.870 1.00 25.00 H new ATOM 0 HE ARG A 300 18.188 -14.605 22.178 1.00 25.00 H new ATOM 0 HH11 ARG A 300 15.026 -15.096 20.609 1.00 25.00 H new ATOM 0 HH12 ARG A 300 14.217 -15.328 22.163 1.00 25.00 H new ATOM 0 HH21 ARG A 300 17.096 -14.919 24.059 1.00 25.00 H new ATOM 0 HH22 ARG A 300 15.357 -15.230 24.057 1.00 25.00 H new ATOM 55 N ARG A 301 15.569 -11.693 15.687 1.00 25.00 N ATOM 56 CA ARG A 301 15.505 -11.057 14.359 1.00 25.00 C ATOM 57 C ARG A 301 16.641 -10.072 14.062 1.00 25.00 C ATOM 58 O ARG A 301 16.931 -9.814 12.910 1.00 25.00 O ATOM 59 CB ARG A 301 14.155 -10.340 14.209 1.00 25.00 C ATOM 60 CG ARG A 301 13.453 -10.618 12.872 1.00 25.00 C ATOM 61 CD ARG A 301 11.977 -10.232 12.945 1.00 25.00 C ATOM 62 NE ARG A 301 11.207 -10.727 11.786 1.00 25.00 N ATOM 63 CZ ARG A 301 10.550 -9.971 10.907 1.00 25.00 C ATOM 64 NH1 ARG A 301 10.521 -8.670 10.960 1.00 25.00 N ATOM 65 NH2 ARG A 301 9.893 -10.555 9.943 1.00 25.00 N ATOM 0 H ARG A 301 15.098 -11.168 16.424 1.00 25.00 H new ATOM 0 HA ARG A 301 15.617 -11.863 13.634 1.00 25.00 H new ATOM 0 HB2 ARG A 301 13.499 -10.646 15.024 1.00 25.00 H new ATOM 0 HB3 ARG A 301 14.311 -9.266 14.311 1.00 25.00 H new ATOM 0 HG2 ARG A 301 13.942 -10.057 12.076 1.00 25.00 H new ATOM 0 HG3 ARG A 301 13.545 -11.674 12.620 1.00 25.00 H new ATOM 0 HD2 ARG A 301 11.545 -10.632 13.862 1.00 25.00 H new ATOM 0 HD3 ARG A 301 11.890 -9.147 12.998 1.00 25.00 H new ATOM 0 HE ARG A 301 11.175 -11.737 11.646 1.00 25.00 H new ATOM 0 HH11 ARG A 301 11.018 -8.179 11.703 1.00 25.00 H new ATOM 0 HH12 ARG A 301 10.001 -8.142 10.259 1.00 25.00 H new ATOM 0 HH21 ARG A 301 9.889 -11.573 9.872 1.00 25.00 H new ATOM 0 HH22 ARG A 301 9.384 -9.994 9.260 1.00 25.00 H new ATOM 79 N LYS A 302 17.261 -9.540 15.116 1.00 25.00 N ATOM 80 CA LYS A 302 18.352 -8.533 15.015 1.00 25.00 C ATOM 81 C LYS A 302 17.911 -7.277 14.256 1.00 25.00 C ATOM 82 O LYS A 302 18.688 -6.722 13.486 1.00 25.00 O ATOM 83 CB LYS A 302 19.603 -9.085 14.309 1.00 25.00 C ATOM 84 CG LYS A 302 20.199 -10.361 14.885 1.00 25.00 C ATOM 85 CD LYS A 302 21.646 -10.547 14.376 1.00 25.00 C ATOM 86 CE LYS A 302 21.725 -10.656 12.837 1.00 25.00 C ATOM 87 NZ LYS A 302 23.148 -10.782 12.353 1.00 25.00 N ATOM 0 H LYS A 302 17.028 -9.789 16.077 1.00 25.00 H new ATOM 0 HA LYS A 302 18.594 -8.282 16.048 1.00 25.00 H new ATOM 0 HB2 LYS A 302 19.353 -9.267 13.264 1.00 25.00 H new ATOM 0 HB3 LYS A 302 20.372 -8.312 14.323 1.00 25.00 H new ATOM 0 HG2 LYS A 302 20.191 -10.316 15.974 1.00 25.00 H new ATOM 0 HG3 LYS A 302 19.591 -11.218 14.597 1.00 25.00 H new ATOM 0 HD2 LYS A 302 22.255 -9.707 14.709 1.00 25.00 H new ATOM 0 HD3 LYS A 302 22.072 -11.446 14.823 1.00 25.00 H new ATOM 0 HE2 LYS A 302 21.151 -11.521 12.505 1.00 25.00 H new ATOM 0 HE3 LYS A 302 21.265 -9.776 12.387 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 23.157 -10.853 11.315 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 23.690 -9.945 12.648 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 23.579 -11.636 12.762 1.00 25.00 H new HETATM 101 N SEP A 303 16.668 -6.850 14.481 1.00 25.00 N HETATM 102 CA SEP A 303 15.950 -5.922 13.568 1.00 25.00 C HETATM 103 CB SEP A 303 15.028 -6.768 12.682 1.00 25.00 C HETATM 104 OG SEP A 303 14.280 -5.945 11.833 1.00 25.00 O HETATM 105 C SEP A 303 15.167 -4.836 14.358 1.00 25.00 C HETATM 106 O SEP A 303 15.279 -4.767 15.595 1.00 25.00 O HETATM 107 P SEP A 303 12.901 -6.452 11.238 1.00 25.00 P HETATM 108 O1P SEP A 303 13.296 -7.516 10.298 1.00 25.00 O HETATM 109 O2P SEP A 303 12.146 -6.924 12.416 1.00 25.00 O HETATM 110 O3P SEP A 303 12.345 -5.258 10.593 1.00 25.00 O HETATM 0 HB3 SEP A 303 15.621 -7.467 12.092 1.00 25.00 H new HETATM 0 HB2 SEP A 303 14.360 -7.363 13.305 1.00 25.00 H new HETATM 0 HA SEP A 303 16.660 -5.377 12.946 1.00 25.00 H new ATOM 115 N GLY A 304 14.584 -3.878 13.630 1.00 25.00 N ATOM 116 CA GLY A 304 13.716 -2.849 14.203 1.00 25.00 C ATOM 117 C GLY A 304 14.530 -1.692 14.728 1.00 25.00 C ATOM 118 O GLY A 304 14.671 -0.660 14.074 1.00 25.00 O ATOM 0 H GLY A 304 14.703 -3.796 12.620 1.00 25.00 H new ATOM 0 HA2 GLY A 304 13.017 -2.494 13.446 1.00 25.00 H new ATOM 0 HA3 GLY A 304 13.121 -3.277 15.010 1.00 25.00 H new ATOM 122 N LYS A 305 15.110 -1.870 15.907 1.00 25.00 N ATOM 123 CA LYS A 305 16.005 -0.861 16.474 1.00 25.00 C ATOM 124 C LYS A 305 17.184 -0.762 15.521 1.00 25.00 C ATOM 125 O LYS A 305 17.687 0.316 15.234 1.00 25.00 O ATOM 126 CB LYS A 305 16.482 -1.277 17.871 1.00 25.00 C ATOM 127 CG LYS A 305 17.410 -0.257 18.532 1.00 25.00 C ATOM 128 CD LYS A 305 17.903 -0.754 19.889 1.00 25.00 C ATOM 129 CE LYS A 305 18.898 0.228 20.522 1.00 25.00 C ATOM 130 NZ LYS A 305 18.262 1.551 20.869 1.00 25.00 N ATOM 0 H LYS A 305 14.980 -2.697 16.489 1.00 25.00 H new ATOM 0 HA LYS A 305 15.497 0.097 16.585 1.00 25.00 H new ATOM 0 HB2 LYS A 305 15.613 -1.433 18.511 1.00 25.00 H new ATOM 0 HB3 LYS A 305 17.000 -2.233 17.799 1.00 25.00 H new ATOM 0 HG2 LYS A 305 18.263 -0.063 17.882 1.00 25.00 H new ATOM 0 HG3 LYS A 305 16.883 0.689 18.658 1.00 25.00 H new ATOM 0 HD2 LYS A 305 17.053 -0.893 20.557 1.00 25.00 H new ATOM 0 HD3 LYS A 305 18.378 -1.728 19.770 1.00 25.00 H new ATOM 0 HE2 LYS A 305 19.319 -0.217 21.424 1.00 25.00 H new ATOM 0 HE3 LYS A 305 19.726 0.396 19.833 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 18.962 2.160 21.339 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 17.928 2.014 20.000 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 17.457 1.392 21.508 1.00 25.00 H new ATOM 144 N TYR A 306 17.601 -1.917 15.030 1.00 25.00 N ATOM 145 CA TYR A 306 18.711 -1.998 14.095 1.00 25.00 C ATOM 146 C TYR A 306 18.309 -1.462 12.727 1.00 25.00 C ATOM 147 O TYR A 306 19.115 -0.849 12.054 1.00 25.00 O ATOM 148 CB TYR A 306 19.186 -3.444 13.986 1.00 25.00 C ATOM 149 CG TYR A 306 19.681 -3.988 15.313 1.00 25.00 C ATOM 150 CD1 TYR A 306 21.021 -3.812 15.708 1.00 25.00 C ATOM 151 CD2 TYR A 306 18.807 -4.671 16.190 1.00 25.00 C ATOM 152 CE1 TYR A 306 21.483 -4.305 16.960 1.00 25.00 C ATOM 153 CE2 TYR A 306 19.266 -5.162 17.441 1.00 25.00 C ATOM 154 CZ TYR A 306 20.599 -4.969 17.813 1.00 25.00 C ATOM 155 OH TYR A 306 21.047 -5.432 19.025 1.00 25.00 O ATOM 0 H TYR A 306 17.184 -2.818 15.265 1.00 25.00 H new ATOM 0 HA TYR A 306 19.529 -1.381 14.468 1.00 25.00 H new ATOM 0 HB2 TYR A 306 18.368 -4.066 13.623 1.00 25.00 H new ATOM 0 HB3 TYR A 306 19.986 -3.507 13.249 1.00 25.00 H new ATOM 0 HD1 TYR A 306 21.707 -3.296 15.052 1.00 25.00 H new ATOM 0 HD2 TYR A 306 17.776 -4.821 15.905 1.00 25.00 H new ATOM 0 HE1 TYR A 306 22.514 -4.166 17.250 1.00 25.00 H new ATOM 0 HE2 TYR A 306 18.588 -5.682 18.102 1.00 25.00 H new ATOM 0 HH TYR A 306 20.310 -5.870 19.501 1.00 25.00 H new ATOM 165 N LYS A 307 17.057 -1.666 12.330 1.00 25.00 N ATOM 166 CA LYS A 307 16.597 -1.174 11.026 1.00 25.00 C ATOM 167 C LYS A 307 16.706 0.341 10.964 1.00 25.00 C ATOM 168 O LYS A 307 17.101 0.907 9.960 1.00 25.00 O ATOM 169 CB LYS A 307 15.162 -1.603 10.721 1.00 25.00 C ATOM 170 CG LYS A 307 15.030 -3.069 10.323 1.00 25.00 C ATOM 171 CD LYS A 307 15.592 -3.350 8.923 1.00 25.00 C ATOM 172 CE LYS A 307 15.459 -4.827 8.561 1.00 25.00 C ATOM 173 NZ LYS A 307 14.029 -5.243 8.370 1.00 25.00 N ATOM 0 H LYS A 307 16.351 -2.158 12.877 1.00 25.00 H new ATOM 0 HA LYS A 307 17.243 -1.618 10.269 1.00 25.00 H new ATOM 0 HB2 LYS A 307 14.543 -1.417 11.599 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.770 -0.981 9.916 1.00 25.00 H new ATOM 0 HG2 LYS A 307 15.552 -3.689 11.052 1.00 25.00 H new ATOM 0 HG3 LYS A 307 13.979 -3.358 10.354 1.00 25.00 H new ATOM 0 HD2 LYS A 307 15.063 -2.744 8.188 1.00 25.00 H new ATOM 0 HD3 LYS A 307 16.641 -3.056 8.884 1.00 25.00 H new ATOM 0 HE2 LYS A 307 16.018 -5.026 7.646 1.00 25.00 H new ATOM 0 HE3 LYS A 307 15.909 -5.433 9.347 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 13.974 -6.280 8.311 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 13.460 -4.911 9.175 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 13.661 -4.826 7.491 1.00 25.00 H new ATOM 187 N LYS A 308 16.372 1.014 12.055 1.00 25.00 N ATOM 188 CA LYS A 308 16.512 2.469 12.081 1.00 25.00 C ATOM 189 C LYS A 308 17.958 2.893 12.251 1.00 25.00 C ATOM 190 O LYS A 308 18.305 4.003 11.890 1.00 25.00 O ATOM 191 CB LYS A 308 15.655 3.105 13.180 1.00 25.00 C ATOM 192 CG LYS A 308 14.132 3.078 12.908 1.00 25.00 C ATOM 193 CD LYS A 308 13.707 3.666 11.524 1.00 25.00 C ATOM 194 CE LYS A 308 14.245 5.086 11.241 1.00 25.00 C ATOM 195 NZ LYS A 308 13.790 6.118 12.220 1.00 25.00 N ATOM 0 H LYS A 308 16.012 0.595 12.912 1.00 25.00 H new ATOM 0 HA LYS A 308 16.157 2.827 11.115 1.00 25.00 H new ATOM 0 HB2 LYS A 308 15.852 2.589 14.120 1.00 25.00 H new ATOM 0 HB3 LYS A 308 15.968 4.140 13.313 1.00 25.00 H new ATOM 0 HG2 LYS A 308 13.783 2.047 12.973 1.00 25.00 H new ATOM 0 HG3 LYS A 308 13.626 3.636 13.696 1.00 25.00 H new ATOM 0 HD2 LYS A 308 14.053 2.996 10.737 1.00 25.00 H new ATOM 0 HD3 LYS A 308 12.619 3.686 11.470 1.00 25.00 H new ATOM 0 HE2 LYS A 308 15.335 5.056 11.241 1.00 25.00 H new ATOM 0 HE3 LYS A 308 13.934 5.388 10.241 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 13.862 7.061 11.788 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 12.802 5.933 12.485 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 14.389 6.079 13.069 1.00 25.00 H new ATOM 209 N VAL A 309 18.806 2.025 12.781 1.00 25.00 N ATOM 210 CA VAL A 309 20.223 2.357 12.942 1.00 25.00 C ATOM 211 C VAL A 309 20.850 2.511 11.552 1.00 25.00 C ATOM 212 O VAL A 309 21.757 3.312 11.365 1.00 25.00 O ATOM 213 CB VAL A 309 20.974 1.303 13.839 1.00 25.00 C ATOM 214 CG1 VAL A 309 22.029 0.487 13.062 1.00 25.00 C ATOM 215 CG2 VAL A 309 21.644 2.006 15.022 1.00 25.00 C ATOM 0 H VAL A 309 18.547 1.093 13.106 1.00 25.00 H new ATOM 0 HA VAL A 309 20.320 3.303 13.474 1.00 25.00 H new ATOM 0 HB VAL A 309 20.219 0.600 14.191 1.00 25.00 H new ATOM 0 HG11 VAL A 309 22.510 -0.221 13.736 1.00 25.00 H new ATOM 0 HG12 VAL A 309 21.544 -0.057 12.251 1.00 25.00 H new ATOM 0 HG13 VAL A 309 22.779 1.162 12.649 1.00 25.00 H new ATOM 0 HG21 VAL A 309 22.161 1.270 15.637 1.00 25.00 H new ATOM 0 HG22 VAL A 309 22.362 2.738 14.651 1.00 25.00 H new ATOM 0 HG23 VAL A 309 20.887 2.512 15.621 1.00 25.00 H new ATOM 225 N GLU A 310 20.338 1.767 10.580 1.00 25.00 N ATOM 226 CA GLU A 310 20.834 1.843 9.208 1.00 25.00 C ATOM 227 C GLU A 310 20.583 3.244 8.634 1.00 25.00 C ATOM 228 O GLU A 310 21.478 3.859 8.062 1.00 25.00 O ATOM 229 CB GLU A 310 20.137 0.772 8.351 1.00 25.00 C ATOM 230 CG GLU A 310 20.480 -0.678 8.774 1.00 25.00 C ATOM 231 CD GLU A 310 19.311 -1.663 8.604 1.00 25.00 C ATOM 232 OE1 GLU A 310 18.452 -1.457 7.722 1.00 25.00 O ATOM 233 OE2 GLU A 310 19.254 -2.652 9.379 1.00 25.00 O ATOM 0 H GLU A 310 19.577 1.101 10.715 1.00 25.00 H new ATOM 0 HA GLU A 310 21.908 1.658 9.199 1.00 25.00 H new ATOM 0 HB2 GLU A 310 19.058 0.914 8.413 1.00 25.00 H new ATOM 0 HB3 GLU A 310 20.418 0.914 7.307 1.00 25.00 H new ATOM 0 HG2 GLU A 310 21.328 -1.028 8.185 1.00 25.00 H new ATOM 0 HG3 GLU A 310 20.795 -0.678 9.817 1.00 25.00 H new ATOM 240 N ILE A 311 19.370 3.755 8.802 1.00 25.00 N ATOM 241 CA ILE A 311 19.017 5.087 8.284 1.00 25.00 C ATOM 242 C ILE A 311 19.693 6.175 9.137 1.00 25.00 C ATOM 243 O ILE A 311 20.062 7.240 8.646 1.00 25.00 O ATOM 244 CB ILE A 311 17.465 5.295 8.240 1.00 25.00 C ATOM 245 CG1 ILE A 311 16.790 4.062 7.587 1.00 25.00 C ATOM 246 CG2 ILE A 311 17.108 6.575 7.421 1.00 25.00 C ATOM 247 CD1 ILE A 311 15.259 4.142 7.467 1.00 25.00 C ATOM 0 H ILE A 311 18.612 3.277 9.289 1.00 25.00 H new ATOM 0 HA ILE A 311 19.381 5.163 7.259 1.00 25.00 H new ATOM 0 HB ILE A 311 17.102 5.415 9.261 1.00 25.00 H new ATOM 0 HG12 ILE A 311 17.210 3.923 6.591 1.00 25.00 H new ATOM 0 HG13 ILE A 311 17.047 3.176 8.168 1.00 25.00 H new ATOM 0 HG21 ILE A 311 16.026 6.704 7.401 1.00 25.00 H new ATOM 0 HG22 ILE A 311 17.569 7.446 7.888 1.00 25.00 H new ATOM 0 HG23 ILE A 311 17.480 6.470 6.402 1.00 25.00 H new ATOM 0 HD11 ILE A 311 14.883 3.233 6.998 1.00 25.00 H new ATOM 0 HD12 ILE A 311 14.821 4.246 8.460 1.00 25.00 H new ATOM 0 HD13 ILE A 311 14.986 5.004 6.858 1.00 25.00 H new ATOM 259 N LYS A 312 19.886 5.895 10.417 1.00 25.00 N ATOM 260 CA LYS A 312 20.588 6.821 11.313 1.00 25.00 C ATOM 261 C LYS A 312 22.004 7.052 10.792 1.00 25.00 C ATOM 262 O LYS A 312 22.486 8.187 10.784 1.00 25.00 O ATOM 263 CB LYS A 312 20.589 6.250 12.740 1.00 25.00 C ATOM 264 CG LYS A 312 21.607 6.852 13.703 1.00 25.00 C ATOM 265 CD LYS A 312 22.791 5.905 13.891 1.00 25.00 C ATOM 266 CE LYS A 312 23.831 6.480 14.834 1.00 25.00 C ATOM 267 NZ LYS A 312 24.997 5.547 14.945 1.00 25.00 N ATOM 0 H LYS A 312 19.569 5.035 10.865 1.00 25.00 H new ATOM 0 HA LYS A 312 20.079 7.784 11.340 1.00 25.00 H new ATOM 0 HB2 LYS A 312 19.594 6.385 13.164 1.00 25.00 H new ATOM 0 HB3 LYS A 312 20.767 5.176 12.680 1.00 25.00 H new ATOM 0 HG2 LYS A 312 21.957 7.810 13.319 1.00 25.00 H new ATOM 0 HG3 LYS A 312 21.134 7.048 14.665 1.00 25.00 H new ATOM 0 HD2 LYS A 312 22.435 4.952 14.281 1.00 25.00 H new ATOM 0 HD3 LYS A 312 23.251 5.702 12.924 1.00 25.00 H new ATOM 0 HE2 LYS A 312 24.166 7.451 14.470 1.00 25.00 H new ATOM 0 HE3 LYS A 312 23.391 6.643 15.818 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 25.397 5.604 15.903 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 24.682 4.574 14.758 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 25.723 5.815 14.250 1.00 25.00 H new ATOM 281 N GLU A 313 22.660 5.989 10.349 1.00 25.00 N ATOM 282 CA GLU A 313 24.018 6.095 9.811 1.00 25.00 C ATOM 283 C GLU A 313 24.002 6.778 8.446 1.00 25.00 C ATOM 284 O GLU A 313 24.964 7.436 8.062 1.00 25.00 O ATOM 285 CB GLU A 313 24.654 4.706 9.707 1.00 25.00 C ATOM 286 CG GLU A 313 25.989 4.610 10.436 1.00 25.00 C ATOM 287 CD GLU A 313 25.842 4.798 11.942 1.00 25.00 C ATOM 288 OE1 GLU A 313 25.282 3.910 12.625 1.00 25.00 O ATOM 289 OE2 GLU A 313 26.280 5.851 12.462 1.00 25.00 O ATOM 0 H GLU A 313 22.279 5.043 10.349 1.00 25.00 H new ATOM 0 HA GLU A 313 24.615 6.703 10.491 1.00 25.00 H new ATOM 0 HB2 GLU A 313 23.967 3.966 10.117 1.00 25.00 H new ATOM 0 HB3 GLU A 313 24.801 4.457 8.656 1.00 25.00 H new ATOM 0 HG2 GLU A 313 26.440 3.638 10.236 1.00 25.00 H new ATOM 0 HG3 GLU A 313 26.670 5.365 10.043 1.00 25.00 H new ATOM 296 N LEU A 314 22.889 6.642 7.734 1.00 25.00 N ATOM 297 CA LEU A 314 22.686 7.294 6.433 1.00 25.00 C ATOM 298 C LEU A 314 22.412 8.800 6.603 1.00 25.00 C ATOM 299 O LEU A 314 22.183 9.517 5.639 1.00 25.00 O ATOM 300 CB LEU A 314 21.513 6.626 5.701 1.00 25.00 C ATOM 301 CG LEU A 314 21.462 6.753 4.168 1.00 25.00 C ATOM 302 CD1 LEU A 314 22.610 5.989 3.499 1.00 25.00 C ATOM 303 CD2 LEU A 314 20.126 6.214 3.670 1.00 25.00 C ATOM 0 H LEU A 314 22.097 6.076 8.038 1.00 25.00 H new ATOM 0 HA LEU A 314 23.597 7.182 5.845 1.00 25.00 H new ATOM 0 HB2 LEU A 314 21.523 5.565 5.950 1.00 25.00 H new ATOM 0 HB3 LEU A 314 20.588 7.039 6.103 1.00 25.00 H new ATOM 0 HG LEU A 314 21.568 7.806 3.906 1.00 25.00 H new ATOM 0 HD11 LEU A 314 22.541 6.102 2.417 1.00 25.00 H new ATOM 0 HD12 LEU A 314 23.563 6.388 3.845 1.00 25.00 H new ATOM 0 HD13 LEU A 314 22.544 4.932 3.758 1.00 25.00 H new ATOM 0 HD21 LEU A 314 20.081 6.300 2.584 1.00 25.00 H new ATOM 0 HD22 LEU A 314 20.027 5.167 3.955 1.00 25.00 H new ATOM 0 HD23 LEU A 314 19.313 6.789 4.114 1.00 25.00 H new ATOM 315 N GLY A 315 22.464 9.272 7.839 1.00 25.00 N ATOM 316 CA GLY A 315 22.275 10.683 8.122 1.00 25.00 C ATOM 317 C GLY A 315 20.902 11.153 8.564 1.00 25.00 C ATOM 318 O GLY A 315 20.626 12.352 8.493 1.00 25.00 O ATOM 0 H GLY A 315 22.636 8.696 8.663 1.00 25.00 H new ATOM 0 HA2 GLY A 315 22.988 10.964 8.897 1.00 25.00 H new ATOM 0 HA3 GLY A 315 22.544 11.240 7.225 1.00 25.00 H new ATOM 322 N GLU A 316 20.060 10.264 9.079 1.00 25.00 N ATOM 323 CA GLU A 316 18.759 10.673 9.650 1.00 25.00 C ATOM 324 C GLU A 316 18.999 11.680 10.786 1.00 25.00 C ATOM 325 O GLU A 316 18.156 12.512 11.111 1.00 25.00 O ATOM 326 CB GLU A 316 17.998 9.459 10.198 1.00 25.00 C ATOM 327 CG GLU A 316 16.532 9.739 10.540 1.00 25.00 C ATOM 328 CD GLU A 316 15.823 8.542 11.173 1.00 25.00 C ATOM 329 OE1 GLU A 316 16.456 7.486 11.402 1.00 25.00 O ATOM 330 OE2 GLU A 316 14.610 8.660 11.459 1.00 25.00 O ATOM 0 H GLU A 316 20.242 9.261 9.118 1.00 25.00 H new ATOM 0 HA GLU A 316 18.160 11.131 8.863 1.00 25.00 H new ATOM 0 HB2 GLU A 316 18.041 8.655 9.463 1.00 25.00 H new ATOM 0 HB3 GLU A 316 18.506 9.100 11.093 1.00 25.00 H new ATOM 0 HG2 GLU A 316 16.480 10.587 11.223 1.00 25.00 H new ATOM 0 HG3 GLU A 316 16.003 10.028 9.632 1.00 25.00 H new ATOM 337 N LEU A 317 20.187 11.611 11.371 1.00 25.00 N ATOM 338 CA LEU A 317 20.602 12.528 12.438 1.00 25.00 C ATOM 339 C LEU A 317 20.677 13.986 11.969 1.00 25.00 C ATOM 340 O LEU A 317 20.691 14.901 12.785 1.00 25.00 O ATOM 341 CB LEU A 317 21.981 12.114 12.953 1.00 25.00 C ATOM 342 CG LEU A 317 22.116 10.721 13.540 1.00 25.00 C ATOM 343 CD1 LEU A 317 23.599 10.487 13.647 1.00 25.00 C ATOM 344 CD2 LEU A 317 21.444 10.648 14.896 1.00 25.00 C ATOM 0 H LEU A 317 20.895 10.919 11.123 1.00 25.00 H new ATOM 0 HA LEU A 317 19.849 12.466 13.224 1.00 25.00 H new ATOM 0 HB2 LEU A 317 22.689 12.203 12.129 1.00 25.00 H new ATOM 0 HB3 LEU A 317 22.286 12.832 13.714 1.00 25.00 H new ATOM 0 HG LEU A 317 21.635 9.962 12.924 1.00 25.00 H new ATOM 0 HD11 LEU A 317 23.782 9.497 14.065 1.00 25.00 H new ATOM 0 HD12 LEU A 317 24.050 10.552 12.657 1.00 25.00 H new ATOM 0 HD13 LEU A 317 24.041 11.242 14.297 1.00 25.00 H new ATOM 0 HD21 LEU A 317 21.551 9.642 15.301 1.00 25.00 H new ATOM 0 HD22 LEU A 317 21.911 11.363 15.573 1.00 25.00 H new ATOM 0 HD23 LEU A 317 20.386 10.886 14.791 1.00 25.00 H new ATOM 356 N ARG A 318 20.732 14.195 10.659 1.00 25.00 N ATOM 357 CA ARG A 318 20.798 15.541 10.072 1.00 25.00 C ATOM 358 C ARG A 318 19.446 15.892 9.468 1.00 25.00 C ATOM 359 O ARG A 318 19.321 16.904 8.807 1.00 25.00 O ATOM 360 CB ARG A 318 21.858 15.614 8.959 1.00 25.00 C ATOM 361 CG ARG A 318 23.296 15.325 9.387 1.00 25.00 C ATOM 362 CD ARG A 318 23.644 13.852 9.188 1.00 25.00 C ATOM 363 NE ARG A 318 25.092 13.593 9.264 1.00 25.00 N ATOM 364 CZ ARG A 318 25.787 13.397 10.381 1.00 25.00 C ATOM 365 NH1 ARG A 318 25.236 13.441 11.570 1.00 25.00 N ATOM 366 NH2 ARG A 318 27.064 13.155 10.295 1.00 25.00 N ATOM 0 H ARG A 318 20.732 13.443 9.970 1.00 25.00 H new ATOM 0 HA ARG A 318 21.066 16.241 10.863 1.00 25.00 H new ATOM 0 HB2 ARG A 318 21.584 14.907 8.176 1.00 25.00 H new ATOM 0 HB3 ARG A 318 21.824 16.610 8.516 1.00 25.00 H new ATOM 0 HG2 ARG A 318 23.982 15.945 8.810 1.00 25.00 H new ATOM 0 HG3 ARG A 318 23.428 15.595 10.435 1.00 25.00 H new ATOM 0 HD2 ARG A 318 23.133 13.257 9.945 1.00 25.00 H new ATOM 0 HD3 ARG A 318 23.271 13.523 8.218 1.00 25.00 H new ATOM 0 HE ARG A 318 25.606 13.561 8.384 1.00 25.00 H new ATOM 0 HH11 ARG A 318 24.238 13.631 11.663 1.00 25.00 H new ATOM 0 HH12 ARG A 318 25.805 13.285 12.402 1.00 25.00 H new ATOM 0 HH21 ARG A 318 27.516 13.118 9.381 1.00 25.00 H new ATOM 0 HH22 ARG A 318 27.612 13.002 11.141 1.00 25.00 H new ATOM 380 N LYS A 319 18.467 15.018 9.715 1.00 25.00 N ATOM 381 CA LYS A 319 17.083 15.080 9.187 1.00 25.00 C ATOM 382 C LYS A 319 16.998 14.624 7.736 1.00 25.00 C ATOM 383 O LYS A 319 15.949 14.745 7.122 1.00 25.00 O ATOM 384 CB LYS A 319 16.429 16.468 9.322 1.00 25.00 C ATOM 385 CG LYS A 319 16.453 17.045 10.721 1.00 25.00 C ATOM 386 CD LYS A 319 15.782 18.412 10.724 1.00 25.00 C ATOM 387 CE LYS A 319 15.813 19.042 12.108 1.00 25.00 C ATOM 388 NZ LYS A 319 15.028 18.224 13.092 1.00 25.00 N ATOM 0 H LYS A 319 18.615 14.207 10.315 1.00 25.00 H new ATOM 0 HA LYS A 319 16.523 14.388 9.816 1.00 25.00 H new ATOM 0 HB2 LYS A 319 16.936 17.160 8.649 1.00 25.00 H new ATOM 0 HB3 LYS A 319 15.393 16.401 8.989 1.00 25.00 H new ATOM 0 HG2 LYS A 319 15.938 16.375 11.410 1.00 25.00 H new ATOM 0 HG3 LYS A 319 17.482 17.133 11.071 1.00 25.00 H new ATOM 0 HD2 LYS A 319 16.285 19.067 10.013 1.00 25.00 H new ATOM 0 HD3 LYS A 319 14.749 18.313 10.391 1.00 25.00 H new ATOM 0 HE2 LYS A 319 16.845 19.132 12.447 1.00 25.00 H new ATOM 0 HE3 LYS A 319 15.404 20.051 12.061 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 14.893 18.769 13.967 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 14.101 17.987 12.685 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 15.546 17.348 13.306 1.00 25.00 H new ATOM 402 N GLU A 320 18.087 14.091 7.205 1.00 25.00 N ATOM 403 CA GLU A 320 18.104 13.601 5.827 1.00 25.00 C ATOM 404 C GLU A 320 17.586 12.152 5.801 1.00 25.00 C ATOM 405 O GLU A 320 18.217 11.256 6.373 1.00 25.00 O ATOM 406 CB GLU A 320 19.527 13.657 5.259 1.00 25.00 C ATOM 407 CG GLU A 320 20.157 15.052 5.309 1.00 25.00 C ATOM 408 CD GLU A 320 19.307 16.112 4.618 1.00 25.00 C ATOM 409 OE1 GLU A 320 18.897 15.899 3.457 1.00 25.00 O ATOM 410 OE2 GLU A 320 19.057 17.169 5.239 1.00 25.00 O ATOM 0 H GLU A 320 18.971 13.985 7.702 1.00 25.00 H new ATOM 0 HA GLU A 320 17.462 14.232 5.213 1.00 25.00 H new ATOM 0 HB2 GLU A 320 20.158 12.963 5.815 1.00 25.00 H new ATOM 0 HB3 GLU A 320 19.509 13.313 4.225 1.00 25.00 H new ATOM 0 HG2 GLU A 320 20.311 15.338 6.349 1.00 25.00 H new ATOM 0 HG3 GLU A 320 21.140 15.018 4.839 1.00 25.00 H new ATOM 417 N PRO A 321 16.428 11.902 5.166 1.00 25.00 N ATOM 418 CA PRO A 321 15.932 10.522 5.144 1.00 25.00 C ATOM 419 C PRO A 321 16.472 9.713 3.965 1.00 25.00 C ATOM 420 O PRO A 321 17.111 10.250 3.066 1.00 25.00 O ATOM 421 CB PRO A 321 14.430 10.724 4.977 1.00 25.00 C ATOM 422 CG PRO A 321 14.346 11.895 4.057 1.00 25.00 C ATOM 423 CD PRO A 321 15.496 12.807 4.459 1.00 25.00 C ATOM 0 HA PRO A 321 16.233 9.965 6.031 1.00 25.00 H new ATOM 0 HB2 PRO A 321 13.950 9.843 4.552 1.00 25.00 H new ATOM 0 HB3 PRO A 321 13.942 10.925 5.931 1.00 25.00 H new ATOM 0 HG2 PRO A 321 14.436 11.584 3.016 1.00 25.00 H new ATOM 0 HG3 PRO A 321 13.387 12.404 4.156 1.00 25.00 H new ATOM 0 HD2 PRO A 321 15.966 13.267 3.589 1.00 25.00 H new ATOM 0 HD3 PRO A 321 15.158 13.618 5.104 1.00 25.00 H new ATOM 431 N SER A 322 16.179 8.422 3.953 1.00 25.00 N ATOM 432 CA SER A 322 16.490 7.591 2.798 1.00 25.00 C ATOM 433 C SER A 322 15.463 7.975 1.735 1.00 25.00 C ATOM 434 O SER A 322 14.281 8.143 2.062 1.00 25.00 O ATOM 435 CB SER A 322 16.339 6.117 3.159 1.00 25.00 C ATOM 436 OG SER A 322 15.082 5.899 3.778 1.00 25.00 O ATOM 0 H SER A 322 15.729 7.928 4.724 1.00 25.00 H new ATOM 0 HA SER A 322 17.513 7.741 2.452 1.00 25.00 H new ATOM 0 HB2 SER A 322 16.424 5.503 2.262 1.00 25.00 H new ATOM 0 HB3 SER A 322 17.142 5.814 3.830 1.00 25.00 H new ATOM 0 HG SER A 322 14.990 4.950 4.006 1.00 25.00 H new ATOM 442 N LEU A 323 15.899 8.123 0.492 1.00 25.00 N ATOM 443 CA LEU A 323 15.025 8.529 -0.606 1.00 25.00 C ATOM 444 C LEU A 323 15.417 7.720 -1.835 1.00 25.00 C ATOM 445 O LEU A 323 14.526 7.296 -2.597 1.00 25.00 O ATOM 446 CB LEU A 323 15.191 10.038 -0.851 1.00 25.00 C ATOM 447 CG LEU A 323 14.189 10.728 -1.767 1.00 25.00 C ATOM 448 CD1 LEU A 323 14.075 12.149 -1.261 1.00 25.00 C ATOM 449 CD2 LEU A 323 14.670 10.709 -3.203 1.00 25.00 C ATOM 450 OXT LEU A 323 16.639 7.518 -2.000 1.00 25.00 O ATOM 0 H LEU A 323 16.868 7.966 0.214 1.00 25.00 H new ATOM 0 HA LEU A 323 13.977 8.342 -0.372 1.00 25.00 H new ATOM 0 HB2 LEU A 323 15.159 10.539 0.117 1.00 25.00 H new ATOM 0 HB3 LEU A 323 16.187 10.202 -1.262 1.00 25.00 H new ATOM 0 HG LEU A 323 13.224 10.220 -1.754 1.00 25.00 H new ATOM 0 HD11 LEU A 323 13.367 12.700 -1.880 1.00 25.00 H new ATOM 0 HD12 LEU A 323 13.725 12.141 -0.229 1.00 25.00 H new ATOM 0 HD13 LEU A 323 15.051 12.632 -1.309 1.00 25.00 H new ATOM 0 HD21 LEU A 323 13.938 11.207 -3.839 1.00 25.00 H new ATOM 0 HD22 LEU A 323 15.626 11.229 -3.274 1.00 25.00 H new ATOM 0 HD23 LEU A 323 14.793 9.677 -3.532 1.00 25.00 H new TER 462 LEU A 323