USER MOD reduce.3.24.130724 H: found=0, std=0, add=238, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 241 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 Single : A 298 THR OG1 : rot 180:sc= 0 USER MOD Single : A 299 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 302 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 303 SER OG : rot 180:sc= 0 USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 LYS NZ :NH3+ -126:sc= 0 (180deg=-1.04) USER MOD Single : A 308 LYS NZ :NH3+ -147:sc= 0.721 (180deg=0.249) USER MOD Single : A 312 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 319 LYS NZ :NH3+ 171:sc= 0.15 (180deg=0.0477) USER MOD Single : A 322 SER OG : rot 106:sc= 0.146 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 -2.647 8.285 -17.727 1.00 25.00 N ATOM 2 CA THR A 298 -1.389 8.037 -16.958 1.00 25.00 C ATOM 3 C THR A 298 -1.005 6.564 -17.014 1.00 25.00 C ATOM 4 O THR A 298 -1.853 5.694 -16.854 1.00 25.00 O ATOM 5 CB THR A 298 -1.552 8.478 -15.469 1.00 25.00 C ATOM 6 OG1 THR A 298 -0.526 7.872 -14.678 1.00 25.00 O ATOM 7 CG2 THR A 298 -2.911 8.077 -14.876 1.00 25.00 C ATOM 0 HA THR A 298 -0.597 8.629 -17.417 1.00 25.00 H new ATOM 0 HB THR A 298 -1.481 9.566 -15.453 1.00 25.00 H new ATOM 0 HG1 THR A 298 -0.627 8.149 -13.743 1.00 25.00 H new ATOM 0 HG21 THR A 298 -2.968 8.409 -13.839 1.00 25.00 H new ATOM 0 HG22 THR A 298 -3.711 8.544 -15.451 1.00 25.00 H new ATOM 0 HG23 THR A 298 -3.020 6.993 -14.916 1.00 25.00 H new ATOM 17 N ASN A 299 0.271 6.275 -17.257 1.00 25.00 N ATOM 18 CA ASN A 299 0.739 4.899 -17.452 1.00 25.00 C ATOM 19 C ASN A 299 1.309 4.315 -16.163 1.00 25.00 C ATOM 20 O ASN A 299 2.408 3.762 -16.144 1.00 25.00 O ATOM 21 CB ASN A 299 1.791 4.869 -18.572 1.00 25.00 C ATOM 22 CG ASN A 299 1.225 5.300 -19.903 1.00 25.00 C ATOM 23 OD1 ASN A 299 0.033 5.210 -20.130 1.00 25.00 O ATOM 24 ND2 ASN A 299 2.069 5.776 -20.776 1.00 25.00 N ATOM 0 H ASN A 299 1.006 6.979 -17.325 1.00 25.00 H new ATOM 0 HA ASN A 299 -0.112 4.282 -17.739 1.00 25.00 H new ATOM 0 HB2 ASN A 299 2.622 5.522 -18.305 1.00 25.00 H new ATOM 0 HB3 ASN A 299 2.195 3.860 -18.661 1.00 25.00 H new ATOM 0 HD21 ASN A 299 1.737 6.089 -21.688 1.00 25.00 H new ATOM 0 HD22 ASN A 299 3.061 5.835 -20.547 1.00 25.00 H new ATOM 31 N ARG A 300 0.550 4.446 -15.083 1.00 25.00 N ATOM 32 CA ARG A 300 0.948 3.954 -13.753 1.00 25.00 C ATOM 33 C ARG A 300 0.768 2.431 -13.625 1.00 25.00 C ATOM 34 O ARG A 300 0.045 1.938 -12.762 1.00 25.00 O ATOM 35 CB ARG A 300 0.181 4.724 -12.653 1.00 25.00 C ATOM 36 CG ARG A 300 -1.363 4.750 -12.787 1.00 25.00 C ATOM 37 CD ARG A 300 -1.976 5.642 -11.701 1.00 25.00 C ATOM 38 NE ARG A 300 -3.451 5.665 -11.760 1.00 25.00 N ATOM 39 CZ ARG A 300 -4.239 6.422 -10.997 1.00 25.00 C ATOM 40 NH1 ARG A 300 -3.762 7.250 -10.099 1.00 25.00 N ATOM 41 NH2 ARG A 300 -5.532 6.350 -11.146 1.00 25.00 N ATOM 0 H ARG A 300 -0.365 4.897 -15.096 1.00 25.00 H new ATOM 0 HA ARG A 300 2.013 4.144 -13.622 1.00 25.00 H new ATOM 0 HB2 ARG A 300 0.434 4.285 -11.688 1.00 25.00 H new ATOM 0 HB3 ARG A 300 0.541 5.753 -12.640 1.00 25.00 H new ATOM 0 HG2 ARG A 300 -1.643 5.121 -13.773 1.00 25.00 H new ATOM 0 HG3 ARG A 300 -1.759 3.738 -12.703 1.00 25.00 H new ATOM 0 HD2 ARG A 300 -1.660 5.286 -10.721 1.00 25.00 H new ATOM 0 HD3 ARG A 300 -1.595 6.657 -11.810 1.00 25.00 H new ATOM 0 HE ARG A 300 -3.903 5.053 -12.439 1.00 25.00 H new ATOM 0 HH11 ARG A 300 -2.754 7.332 -9.965 1.00 25.00 H new ATOM 0 HH12 ARG A 300 -4.399 7.812 -9.535 1.00 25.00 H new ATOM 0 HH21 ARG A 300 -5.931 5.719 -11.841 1.00 25.00 H new ATOM 0 HH22 ARG A 300 -6.145 6.925 -10.568 1.00 25.00 H new ATOM 55 N ARG A 301 1.435 1.703 -14.513 1.00 25.00 N ATOM 56 CA ARG A 301 1.408 0.280 -14.658 1.00 25.00 C ATOM 57 C ARG A 301 1.799 -0.666 -13.506 1.00 25.00 C ATOM 58 O ARG A 301 2.307 -1.738 -13.756 1.00 25.00 O ATOM 59 CB ARG A 301 2.341 0.044 -15.823 1.00 25.00 C ATOM 60 CG ARG A 301 3.792 0.439 -15.586 1.00 25.00 C ATOM 61 CD ARG A 301 4.680 -0.373 -16.504 1.00 25.00 C ATOM 62 NE ARG A 301 4.624 0.079 -17.908 1.00 25.00 N ATOM 63 CZ ARG A 301 5.109 -0.595 -18.948 1.00 25.00 C ATOM 64 NH1 ARG A 301 5.682 -1.767 -18.821 1.00 25.00 N ATOM 65 NH2 ARG A 301 5.012 -0.079 -20.144 1.00 25.00 N ATOM 0 H ARG A 301 2.052 2.141 -15.196 1.00 25.00 H new ATOM 0 HA ARG A 301 0.355 0.014 -14.750 1.00 25.00 H new ATOM 0 HB2 ARG A 301 2.308 -1.014 -16.085 1.00 25.00 H new ATOM 0 HB3 ARG A 301 1.967 0.598 -16.684 1.00 25.00 H new ATOM 0 HG2 ARG A 301 3.928 1.504 -15.775 1.00 25.00 H new ATOM 0 HG3 ARG A 301 4.065 0.263 -14.546 1.00 25.00 H new ATOM 0 HD2 ARG A 301 5.709 -0.315 -16.150 1.00 25.00 H new ATOM 0 HD3 ARG A 301 4.384 -1.421 -16.453 1.00 25.00 H new ATOM 0 HE ARG A 301 4.179 0.977 -18.096 1.00 25.00 H new ATOM 0 HH11 ARG A 301 5.769 -2.195 -17.899 1.00 25.00 H new ATOM 0 HH12 ARG A 301 6.041 -2.251 -19.644 1.00 25.00 H new ATOM 0 HH21 ARG A 301 4.569 0.830 -20.273 1.00 25.00 H new ATOM 0 HH22 ARG A 301 5.380 -0.586 -20.949 1.00 25.00 H new ATOM 79 N LYS A 302 1.564 -0.294 -12.261 1.00 25.00 N ATOM 80 CA LYS A 302 1.821 -1.214 -11.147 1.00 25.00 C ATOM 81 C LYS A 302 0.534 -1.882 -10.668 1.00 25.00 C ATOM 82 O LYS A 302 0.582 -2.875 -9.959 1.00 25.00 O ATOM 83 CB LYS A 302 2.527 -0.512 -9.976 1.00 25.00 C ATOM 84 CG LYS A 302 1.758 0.646 -9.334 1.00 25.00 C ATOM 85 CD LYS A 302 2.540 1.166 -8.124 1.00 25.00 C ATOM 86 CE LYS A 302 3.914 1.688 -8.552 1.00 25.00 C ATOM 87 NZ LYS A 302 4.824 1.938 -7.369 1.00 25.00 N ATOM 0 H LYS A 302 1.202 0.620 -11.989 1.00 25.00 H new ATOM 0 HA LYS A 302 2.489 -1.987 -11.526 1.00 25.00 H new ATOM 0 HB2 LYS A 302 2.739 -1.254 -9.206 1.00 25.00 H new ATOM 0 HB3 LYS A 302 3.487 -0.135 -10.328 1.00 25.00 H new ATOM 0 HG2 LYS A 302 1.613 1.447 -10.059 1.00 25.00 H new ATOM 0 HG3 LYS A 302 0.767 0.312 -9.025 1.00 25.00 H new ATOM 0 HD2 LYS A 302 1.978 1.963 -7.637 1.00 25.00 H new ATOM 0 HD3 LYS A 302 2.661 0.367 -7.392 1.00 25.00 H new ATOM 0 HE2 LYS A 302 4.382 0.967 -9.222 1.00 25.00 H new ATOM 0 HE3 LYS A 302 3.790 2.613 -9.115 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 5.743 2.290 -7.706 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 4.391 2.645 -6.741 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 4.965 1.050 -6.845 1.00 25.00 H new ATOM 101 N SER A 303 -0.618 -1.324 -11.025 1.00 25.00 N ATOM 102 CA SER A 303 -1.883 -1.797 -10.489 1.00 25.00 C ATOM 103 C SER A 303 -3.005 -2.319 -11.369 1.00 25.00 C ATOM 104 O SER A 303 -3.141 -2.002 -12.546 1.00 25.00 O ATOM 105 CB SER A 303 -2.490 -0.644 -9.748 1.00 25.00 C ATOM 106 OG SER A 303 -2.614 0.484 -10.592 1.00 25.00 O ATOM 0 H SER A 303 -0.699 -0.547 -11.681 1.00 25.00 H new ATOM 0 HA SER A 303 -1.559 -2.688 -9.950 1.00 25.00 H new ATOM 0 HB2 SER A 303 -3.470 -0.927 -9.365 1.00 25.00 H new ATOM 0 HB3 SER A 303 -1.872 -0.393 -8.886 1.00 25.00 H new ATOM 0 HG SER A 303 -3.014 1.225 -10.091 1.00 25.00 H new ATOM 112 N GLY A 304 -3.813 -3.125 -10.692 1.00 25.00 N ATOM 113 CA GLY A 304 -5.053 -3.734 -11.167 1.00 25.00 C ATOM 114 C GLY A 304 -5.094 -4.612 -12.392 1.00 25.00 C ATOM 115 O GLY A 304 -5.917 -5.524 -12.475 1.00 25.00 O ATOM 0 H GLY A 304 -3.606 -3.390 -9.729 1.00 25.00 H new ATOM 0 HA2 GLY A 304 -5.448 -4.327 -10.342 1.00 25.00 H new ATOM 0 HA3 GLY A 304 -5.757 -2.920 -11.340 1.00 25.00 H new ATOM 119 N LYS A 305 -4.174 -4.418 -13.308 1.00 25.00 N ATOM 120 CA LYS A 305 -3.971 -5.375 -14.392 1.00 25.00 C ATOM 121 C LYS A 305 -2.919 -6.378 -13.967 1.00 25.00 C ATOM 122 O LYS A 305 -3.025 -7.570 -14.166 1.00 25.00 O ATOM 123 CB LYS A 305 -3.547 -4.682 -15.684 1.00 25.00 C ATOM 124 CG LYS A 305 -4.551 -3.678 -16.248 1.00 25.00 C ATOM 125 CD LYS A 305 -4.062 -3.144 -17.540 1.00 25.00 C ATOM 126 CE LYS A 305 -4.328 -4.274 -18.451 1.00 25.00 C ATOM 127 NZ LYS A 305 -4.164 -3.982 -19.926 1.00 25.00 N ATOM 0 H LYS A 305 -3.551 -3.611 -13.332 1.00 25.00 H new ATOM 0 HA LYS A 305 -4.915 -5.882 -14.592 1.00 25.00 H new ATOM 0 HB2 LYS A 305 -2.603 -4.166 -15.507 1.00 25.00 H new ATOM 0 HB3 LYS A 305 -3.357 -5.444 -16.440 1.00 25.00 H new ATOM 0 HG2 LYS A 305 -5.519 -4.159 -16.387 1.00 25.00 H new ATOM 0 HG3 LYS A 305 -4.699 -2.862 -15.540 1.00 25.00 H new ATOM 0 HD2 LYS A 305 -4.597 -2.243 -17.839 1.00 25.00 H new ATOM 0 HD3 LYS A 305 -3.003 -2.889 -17.503 1.00 25.00 H new ATOM 0 HE2 LYS A 305 -3.661 -5.095 -18.186 1.00 25.00 H new ATOM 0 HE3 LYS A 305 -5.347 -4.622 -18.280 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 -4.374 -4.840 -20.475 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 -4.819 -3.224 -20.205 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 -3.186 -3.681 -20.114 1.00 25.00 H new ATOM 141 N TYR A 306 -1.866 -5.800 -13.423 1.00 25.00 N ATOM 142 CA TYR A 306 -0.548 -6.408 -13.281 1.00 25.00 C ATOM 143 C TYR A 306 -0.430 -7.640 -12.419 1.00 25.00 C ATOM 144 O TYR A 306 0.377 -8.492 -12.717 1.00 25.00 O ATOM 145 CB TYR A 306 0.449 -5.290 -12.958 1.00 25.00 C ATOM 146 CG TYR A 306 0.361 -4.246 -14.081 1.00 25.00 C ATOM 147 CD1 TYR A 306 -0.687 -3.314 -14.095 1.00 25.00 C ATOM 148 CD2 TYR A 306 1.277 -4.224 -15.160 1.00 25.00 C ATOM 149 CE1 TYR A 306 -0.889 -2.449 -15.166 1.00 25.00 C ATOM 150 CE2 TYR A 306 1.087 -3.339 -16.248 1.00 25.00 C ATOM 151 CZ TYR A 306 -0.006 -2.468 -16.249 1.00 25.00 C ATOM 152 OH TYR A 306 -0.212 -1.629 -17.314 1.00 25.00 O ATOM 0 H TYR A 306 -1.903 -4.851 -13.050 1.00 25.00 H new ATOM 0 HA TYR A 306 -0.304 -6.869 -14.238 1.00 25.00 H new ATOM 0 HB2 TYR A 306 0.216 -4.836 -11.995 1.00 25.00 H new ATOM 0 HB3 TYR A 306 1.461 -5.689 -12.885 1.00 25.00 H new ATOM 0 HD1 TYR A 306 -1.357 -3.266 -13.249 1.00 25.00 H new ATOM 0 HD2 TYR A 306 2.128 -4.888 -15.153 1.00 25.00 H new ATOM 0 HE1 TYR A 306 -1.725 -1.765 -15.160 1.00 25.00 H new ATOM 0 HE2 TYR A 306 1.783 -3.337 -17.074 1.00 25.00 H new ATOM 0 HH TYR A 306 0.493 -1.768 -17.981 1.00 25.00 H new ATOM 162 N LYS A 307 -1.257 -7.793 -11.401 1.00 25.00 N ATOM 163 CA LYS A 307 -1.312 -9.078 -10.715 1.00 25.00 C ATOM 164 C LYS A 307 -1.659 -10.226 -11.681 1.00 25.00 C ATOM 165 O LYS A 307 -1.197 -11.323 -11.508 1.00 25.00 O ATOM 166 CB LYS A 307 -2.293 -9.030 -9.549 1.00 25.00 C ATOM 167 CG LYS A 307 -1.917 -9.962 -8.398 1.00 25.00 C ATOM 168 CD LYS A 307 -0.674 -9.540 -7.698 1.00 25.00 C ATOM 169 CE LYS A 307 -0.307 -10.746 -6.897 1.00 25.00 C ATOM 170 NZ LYS A 307 1.152 -10.837 -6.508 1.00 25.00 N ATOM 0 H LYS A 307 -1.881 -7.073 -11.038 1.00 25.00 H new ATOM 0 HA LYS A 307 -0.317 -9.278 -10.316 1.00 25.00 H new ATOM 0 HB2 LYS A 307 -2.350 -8.008 -9.175 1.00 25.00 H new ATOM 0 HB3 LYS A 307 -3.287 -9.294 -9.910 1.00 25.00 H new ATOM 0 HG2 LYS A 307 -2.738 -9.997 -7.682 1.00 25.00 H new ATOM 0 HG3 LYS A 307 -1.786 -10.973 -8.783 1.00 25.00 H new ATOM 0 HD2 LYS A 307 0.113 -9.270 -8.402 1.00 25.00 H new ATOM 0 HD3 LYS A 307 -0.845 -8.671 -7.062 1.00 25.00 H new ATOM 0 HE2 LYS A 307 -0.911 -10.758 -5.989 1.00 25.00 H new ATOM 0 HE3 LYS A 307 -0.571 -11.636 -7.467 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 1.537 -11.753 -6.816 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 1.682 -10.068 -6.965 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 1.242 -10.753 -5.475 1.00 25.00 H new ATOM 184 N LYS A 308 -2.464 -9.966 -12.704 1.00 25.00 N ATOM 185 CA LYS A 308 -2.695 -10.959 -13.767 1.00 25.00 C ATOM 186 C LYS A 308 -1.617 -10.919 -14.867 1.00 25.00 C ATOM 187 O LYS A 308 -1.285 -11.935 -15.457 1.00 25.00 O ATOM 188 CB LYS A 308 -4.082 -10.794 -14.395 1.00 25.00 C ATOM 189 CG LYS A 308 -5.199 -11.318 -13.500 1.00 25.00 C ATOM 190 CD LYS A 308 -5.849 -10.207 -12.701 1.00 25.00 C ATOM 191 CE LYS A 308 -6.540 -9.245 -13.652 1.00 25.00 C ATOM 192 NZ LYS A 308 -7.230 -8.106 -12.948 1.00 25.00 N ATOM 0 H LYS A 308 -2.967 -9.087 -12.827 1.00 25.00 H new ATOM 0 HA LYS A 308 -2.636 -11.933 -13.282 1.00 25.00 H new ATOM 0 HB2 LYS A 308 -4.257 -9.739 -14.608 1.00 25.00 H new ATOM 0 HB3 LYS A 308 -4.109 -11.320 -15.349 1.00 25.00 H new ATOM 0 HG2 LYS A 308 -5.952 -11.814 -14.112 1.00 25.00 H new ATOM 0 HG3 LYS A 308 -4.797 -12.068 -12.819 1.00 25.00 H new ATOM 0 HD2 LYS A 308 -6.571 -10.623 -11.998 1.00 25.00 H new ATOM 0 HD3 LYS A 308 -5.098 -9.679 -12.113 1.00 25.00 H new ATOM 0 HE2 LYS A 308 -5.804 -8.841 -14.348 1.00 25.00 H new ATOM 0 HE3 LYS A 308 -7.272 -9.794 -14.245 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 -8.081 -7.834 -13.480 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 -7.501 -8.404 -11.989 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 -6.585 -7.293 -12.889 1.00 25.00 H new ATOM 206 N VAL A 309 -1.119 -9.721 -15.150 1.00 25.00 N ATOM 207 CA VAL A 309 -0.201 -9.472 -16.281 1.00 25.00 C ATOM 208 C VAL A 309 1.293 -9.731 -15.997 1.00 25.00 C ATOM 209 O VAL A 309 1.911 -10.522 -16.690 1.00 25.00 O ATOM 210 CB VAL A 309 -0.402 -7.984 -16.790 1.00 25.00 C ATOM 211 CG1 VAL A 309 0.575 -7.566 -17.866 1.00 25.00 C ATOM 212 CG2 VAL A 309 -1.834 -7.778 -17.306 1.00 25.00 C ATOM 0 H VAL A 309 -1.335 -8.885 -14.606 1.00 25.00 H new ATOM 0 HA VAL A 309 -0.469 -10.203 -17.044 1.00 25.00 H new ATOM 0 HB VAL A 309 -0.211 -7.353 -15.922 1.00 25.00 H new ATOM 0 HG11 VAL A 309 0.373 -6.536 -18.161 1.00 25.00 H new ATOM 0 HG12 VAL A 309 1.593 -7.640 -17.482 1.00 25.00 H new ATOM 0 HG13 VAL A 309 0.465 -8.220 -18.731 1.00 25.00 H new ATOM 0 HG21 VAL A 309 -1.952 -6.751 -17.651 1.00 25.00 H new ATOM 0 HG22 VAL A 309 -2.025 -8.462 -18.133 1.00 25.00 H new ATOM 0 HG23 VAL A 309 -2.542 -7.974 -16.501 1.00 25.00 H new ATOM 222 N GLU A 310 1.891 -9.082 -15.006 1.00 25.00 N ATOM 223 CA GLU A 310 3.344 -9.225 -14.796 1.00 25.00 C ATOM 224 C GLU A 310 3.724 -10.371 -13.941 1.00 25.00 C ATOM 225 O GLU A 310 4.828 -10.828 -13.952 1.00 25.00 O ATOM 226 CB GLU A 310 3.984 -7.960 -14.377 1.00 25.00 C ATOM 227 CG GLU A 310 3.700 -7.695 -13.076 1.00 25.00 C ATOM 228 CD GLU A 310 4.812 -7.910 -12.089 1.00 25.00 C ATOM 229 OE1 GLU A 310 5.728 -7.064 -12.063 1.00 25.00 O ATOM 230 OE2 GLU A 310 4.756 -8.885 -11.316 1.00 25.00 O ATOM 0 H GLU A 310 1.417 -8.465 -14.346 1.00 25.00 H new ATOM 0 HA GLU A 310 3.748 -9.468 -15.779 1.00 25.00 H new ATOM 0 HB2 GLU A 310 5.063 -8.028 -14.514 1.00 25.00 H new ATOM 0 HB3 GLU A 310 3.634 -7.142 -15.006 1.00 25.00 H new ATOM 0 HG2 GLU A 310 3.375 -6.657 -13.003 1.00 25.00 H new ATOM 0 HG3 GLU A 310 2.855 -8.316 -12.778 1.00 25.00 H new ATOM 237 N ILE A 311 2.755 -10.888 -13.242 1.00 25.00 N ATOM 238 CA ILE A 311 2.969 -12.152 -12.535 1.00 25.00 C ATOM 239 C ILE A 311 3.253 -13.215 -13.626 1.00 25.00 C ATOM 240 O ILE A 311 3.735 -14.303 -13.339 1.00 25.00 O ATOM 241 CB ILE A 311 1.793 -12.486 -11.575 1.00 25.00 C ATOM 242 CG1 ILE A 311 1.701 -11.398 -10.472 1.00 25.00 C ATOM 243 CG2 ILE A 311 1.953 -13.880 -10.910 1.00 25.00 C ATOM 244 CD1 ILE A 311 2.941 -11.258 -9.538 1.00 25.00 C ATOM 0 H ILE A 311 1.826 -10.480 -13.137 1.00 25.00 H new ATOM 0 HA ILE A 311 3.823 -12.107 -11.859 1.00 25.00 H new ATOM 0 HB ILE A 311 0.880 -12.507 -12.170 1.00 25.00 H new ATOM 0 HG12 ILE A 311 1.524 -10.436 -10.953 1.00 25.00 H new ATOM 0 HG13 ILE A 311 0.829 -11.610 -9.854 1.00 25.00 H new ATOM 0 HG21 ILE A 311 1.107 -14.067 -10.249 1.00 25.00 H new ATOM 0 HG22 ILE A 311 1.988 -14.649 -11.681 1.00 25.00 H new ATOM 0 HG23 ILE A 311 2.877 -13.904 -10.332 1.00 25.00 H new ATOM 0 HD11 ILE A 311 2.760 -10.468 -8.809 1.00 25.00 H new ATOM 0 HD12 ILE A 311 3.112 -12.200 -9.017 1.00 25.00 H new ATOM 0 HD13 ILE A 311 3.819 -11.008 -10.134 1.00 25.00 H new ATOM 256 N LYS A 312 3.008 -12.863 -14.891 1.00 25.00 N ATOM 257 CA LYS A 312 3.444 -13.687 -16.015 1.00 25.00 C ATOM 258 C LYS A 312 4.665 -13.073 -16.715 1.00 25.00 C ATOM 259 O LYS A 312 5.580 -13.780 -17.035 1.00 25.00 O ATOM 260 CB LYS A 312 2.301 -13.934 -16.985 1.00 25.00 C ATOM 261 CG LYS A 312 1.242 -14.841 -16.380 1.00 25.00 C ATOM 262 CD LYS A 312 0.315 -15.409 -17.432 1.00 25.00 C ATOM 263 CE LYS A 312 -0.657 -16.392 -16.789 1.00 25.00 C ATOM 264 NZ LYS A 312 -1.435 -17.154 -17.821 1.00 25.00 N ATOM 0 H LYS A 312 2.511 -12.014 -15.159 1.00 25.00 H new ATOM 0 HA LYS A 312 3.753 -14.656 -15.623 1.00 25.00 H new ATOM 0 HB2 LYS A 312 1.849 -12.983 -17.266 1.00 25.00 H new ATOM 0 HB3 LYS A 312 2.689 -14.385 -17.898 1.00 25.00 H new ATOM 0 HG2 LYS A 312 1.727 -15.658 -15.845 1.00 25.00 H new ATOM 0 HG3 LYS A 312 0.660 -14.281 -15.648 1.00 25.00 H new ATOM 0 HD2 LYS A 312 -0.236 -14.603 -17.917 1.00 25.00 H new ATOM 0 HD3 LYS A 312 0.894 -15.911 -18.207 1.00 25.00 H new ATOM 0 HE2 LYS A 312 -0.106 -17.090 -16.159 1.00 25.00 H new ATOM 0 HE3 LYS A 312 -1.345 -15.852 -16.139 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 -2.086 -17.813 -17.348 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 -1.980 -16.489 -18.406 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 -0.779 -17.689 -18.425 1.00 25.00 H new ATOM 278 N GLU A 313 4.701 -11.768 -16.946 1.00 25.00 N ATOM 279 CA GLU A 313 5.888 -11.145 -17.579 1.00 25.00 C ATOM 280 C GLU A 313 7.113 -11.151 -16.658 1.00 25.00 C ATOM 281 O GLU A 313 8.145 -11.741 -16.971 1.00 25.00 O ATOM 282 CB GLU A 313 5.610 -9.688 -17.949 1.00 25.00 C ATOM 283 CG GLU A 313 4.480 -9.472 -18.960 1.00 25.00 C ATOM 284 CD GLU A 313 4.111 -7.992 -19.114 1.00 25.00 C ATOM 285 OE1 GLU A 313 4.003 -7.286 -18.080 1.00 25.00 O ATOM 286 OE2 GLU A 313 3.917 -7.532 -20.260 1.00 25.00 O ATOM 0 H GLU A 313 3.948 -11.120 -16.716 1.00 25.00 H new ATOM 0 HA GLU A 313 6.095 -11.743 -18.467 1.00 25.00 H new ATOM 0 HB2 GLU A 313 5.370 -9.139 -17.038 1.00 25.00 H new ATOM 0 HB3 GLU A 313 6.524 -9.252 -18.352 1.00 25.00 H new ATOM 0 HG2 GLU A 313 4.781 -9.872 -19.928 1.00 25.00 H new ATOM 0 HG3 GLU A 313 3.600 -10.032 -18.643 1.00 25.00 H new ATOM 293 N LEU A 314 6.976 -10.495 -15.514 1.00 25.00 N ATOM 294 CA LEU A 314 8.012 -10.443 -14.497 1.00 25.00 C ATOM 295 C LEU A 314 8.201 -11.884 -14.002 1.00 25.00 C ATOM 296 O LEU A 314 9.301 -12.305 -13.671 1.00 25.00 O ATOM 297 CB LEU A 314 7.575 -9.516 -13.329 1.00 25.00 C ATOM 298 CG LEU A 314 8.734 -9.277 -12.347 1.00 25.00 C ATOM 299 CD1 LEU A 314 9.687 -8.198 -12.875 1.00 25.00 C ATOM 300 CD2 LEU A 314 8.244 -8.897 -10.959 1.00 25.00 C ATOM 0 H LEU A 314 6.132 -9.979 -15.265 1.00 25.00 H new ATOM 0 HA LEU A 314 8.942 -10.040 -14.896 1.00 25.00 H new ATOM 0 HB2 LEU A 314 7.230 -8.562 -13.728 1.00 25.00 H new ATOM 0 HB3 LEU A 314 6.733 -9.964 -12.801 1.00 25.00 H new ATOM 0 HG LEU A 314 9.272 -10.221 -12.264 1.00 25.00 H new ATOM 0 HD11 LEU A 314 10.498 -8.048 -12.162 1.00 25.00 H new ATOM 0 HD12 LEU A 314 10.100 -8.514 -13.833 1.00 25.00 H new ATOM 0 HD13 LEU A 314 9.142 -7.263 -13.006 1.00 25.00 H new ATOM 0 HD21 LEU A 314 9.099 -8.739 -10.302 1.00 25.00 H new ATOM 0 HD22 LEU A 314 7.658 -7.980 -11.019 1.00 25.00 H new ATOM 0 HD23 LEU A 314 7.623 -9.699 -10.560 1.00 25.00 H new ATOM 312 N GLY A 315 7.106 -12.629 -13.983 1.00 25.00 N ATOM 313 CA GLY A 315 7.131 -14.028 -13.587 1.00 25.00 C ATOM 314 C GLY A 315 7.962 -14.925 -14.487 1.00 25.00 C ATOM 315 O GLY A 315 8.682 -15.767 -13.981 1.00 25.00 O ATOM 0 H GLY A 315 6.181 -12.283 -14.240 1.00 25.00 H new ATOM 0 HA2 GLY A 315 7.518 -14.097 -12.570 1.00 25.00 H new ATOM 0 HA3 GLY A 315 6.108 -14.404 -13.566 1.00 25.00 H new ATOM 319 N GLU A 316 7.898 -14.763 -15.803 1.00 25.00 N ATOM 320 CA GLU A 316 8.728 -15.573 -16.703 1.00 25.00 C ATOM 321 C GLU A 316 10.182 -15.161 -16.528 1.00 25.00 C ATOM 322 O GLU A 316 11.084 -15.967 -16.679 1.00 25.00 O ATOM 323 CB GLU A 316 8.320 -15.419 -18.174 1.00 25.00 C ATOM 324 CG GLU A 316 7.089 -16.247 -18.578 1.00 25.00 C ATOM 325 CD GLU A 316 7.239 -17.726 -18.252 1.00 25.00 C ATOM 326 OE1 GLU A 316 8.235 -18.352 -18.674 1.00 25.00 O ATOM 327 OE2 GLU A 316 6.357 -18.276 -17.557 1.00 25.00 O ATOM 0 H GLU A 316 7.291 -14.090 -16.271 1.00 25.00 H new ATOM 0 HA GLU A 316 8.587 -16.622 -16.441 1.00 25.00 H new ATOM 0 HB2 GLU A 316 8.118 -14.367 -18.375 1.00 25.00 H new ATOM 0 HB3 GLU A 316 9.161 -15.708 -18.805 1.00 25.00 H new ATOM 0 HG2 GLU A 316 6.210 -15.855 -18.067 1.00 25.00 H new ATOM 0 HG3 GLU A 316 6.914 -16.131 -19.648 1.00 25.00 H new ATOM 334 N LEU A 317 10.416 -13.905 -16.180 1.00 25.00 N ATOM 335 CA LEU A 317 11.786 -13.475 -15.872 1.00 25.00 C ATOM 336 C LEU A 317 12.288 -14.081 -14.542 1.00 25.00 C ATOM 337 O LEU A 317 13.492 -14.167 -14.311 1.00 25.00 O ATOM 338 CB LEU A 317 11.857 -11.942 -15.795 1.00 25.00 C ATOM 339 CG LEU A 317 12.379 -11.183 -17.030 1.00 25.00 C ATOM 340 CD1 LEU A 317 13.853 -11.511 -17.299 1.00 25.00 C ATOM 341 CD2 LEU A 317 11.546 -11.477 -18.283 1.00 25.00 C ATOM 0 H LEU A 317 9.704 -13.179 -16.103 1.00 25.00 H new ATOM 0 HA LEU A 317 12.430 -13.833 -16.675 1.00 25.00 H new ATOM 0 HB2 LEU A 317 10.856 -11.571 -15.573 1.00 25.00 H new ATOM 0 HB3 LEU A 317 12.490 -11.678 -14.948 1.00 25.00 H new ATOM 0 HG LEU A 317 12.286 -10.121 -16.804 1.00 25.00 H new ATOM 0 HD11 LEU A 317 14.194 -10.961 -18.176 1.00 25.00 H new ATOM 0 HD12 LEU A 317 14.453 -11.224 -16.435 1.00 25.00 H new ATOM 0 HD13 LEU A 317 13.961 -12.581 -17.477 1.00 25.00 H new ATOM 0 HD21 LEU A 317 11.951 -10.920 -19.128 1.00 25.00 H new ATOM 0 HD22 LEU A 317 11.581 -12.544 -18.501 1.00 25.00 H new ATOM 0 HD23 LEU A 317 10.513 -11.176 -18.112 1.00 25.00 H new ATOM 353 N ARG A 318 11.363 -14.470 -13.670 1.00 25.00 N ATOM 354 CA ARG A 318 11.692 -15.008 -12.334 1.00 25.00 C ATOM 355 C ARG A 318 11.374 -16.488 -12.068 1.00 25.00 C ATOM 356 O ARG A 318 11.473 -16.913 -10.928 1.00 25.00 O ATOM 357 CB ARG A 318 10.976 -14.144 -11.281 1.00 25.00 C ATOM 358 CG ARG A 318 11.726 -12.870 -10.946 1.00 25.00 C ATOM 359 CD ARG A 318 12.925 -13.206 -10.069 1.00 25.00 C ATOM 360 NE ARG A 318 13.757 -12.031 -9.778 1.00 25.00 N ATOM 361 CZ ARG A 318 14.897 -12.062 -9.097 1.00 25.00 C ATOM 362 NH1 ARG A 318 15.383 -13.174 -8.600 1.00 25.00 N ATOM 363 NH2 ARG A 318 15.561 -10.955 -8.917 1.00 25.00 N ATOM 0 H ARG A 318 10.362 -14.425 -13.860 1.00 25.00 H new ATOM 0 HA ARG A 318 12.780 -14.963 -12.277 1.00 25.00 H new ATOM 0 HB2 ARG A 318 9.981 -13.888 -11.646 1.00 25.00 H new ATOM 0 HB3 ARG A 318 10.841 -14.729 -10.371 1.00 25.00 H new ATOM 0 HG2 ARG A 318 12.057 -12.378 -11.861 1.00 25.00 H new ATOM 0 HG3 ARG A 318 11.067 -12.172 -10.429 1.00 25.00 H new ATOM 0 HD2 ARG A 318 12.575 -13.640 -9.132 1.00 25.00 H new ATOM 0 HD3 ARG A 318 13.532 -13.963 -10.564 1.00 25.00 H new ATOM 0 HE ARG A 318 13.436 -11.126 -10.124 1.00 25.00 H new ATOM 0 HH11 ARG A 318 14.882 -14.053 -8.731 1.00 25.00 H new ATOM 0 HH12 ARG A 318 16.262 -13.160 -8.082 1.00 25.00 H new ATOM 0 HH21 ARG A 318 15.204 -10.078 -9.297 1.00 25.00 H new ATOM 0 HH22 ARG A 318 16.438 -10.965 -8.396 1.00 25.00 H new ATOM 377 N LYS A 319 10.981 -17.234 -13.098 1.00 25.00 N ATOM 378 CA LYS A 319 10.498 -18.638 -12.986 1.00 25.00 C ATOM 379 C LYS A 319 10.791 -19.431 -11.707 1.00 25.00 C ATOM 380 O LYS A 319 11.818 -20.095 -11.588 1.00 25.00 O ATOM 381 CB LYS A 319 10.989 -19.475 -14.169 1.00 25.00 C ATOM 382 CG LYS A 319 10.662 -18.868 -15.514 1.00 25.00 C ATOM 383 CD LYS A 319 10.624 -19.917 -16.614 1.00 25.00 C ATOM 384 CE LYS A 319 9.501 -20.915 -16.369 1.00 25.00 C ATOM 385 NZ LYS A 319 8.150 -20.284 -16.549 1.00 25.00 N ATOM 0 H LYS A 319 10.983 -16.888 -14.057 1.00 25.00 H new ATOM 0 HA LYS A 319 9.419 -18.482 -12.968 1.00 25.00 H new ATOM 0 HB2 LYS A 319 12.069 -19.603 -14.090 1.00 25.00 H new ATOM 0 HB3 LYS A 319 10.545 -20.469 -14.110 1.00 25.00 H new ATOM 0 HG2 LYS A 319 9.697 -18.363 -15.460 1.00 25.00 H new ATOM 0 HG3 LYS A 319 11.405 -18.110 -15.761 1.00 25.00 H new ATOM 0 HD2 LYS A 319 10.482 -19.433 -17.580 1.00 25.00 H new ATOM 0 HD3 LYS A 319 11.579 -20.440 -16.657 1.00 25.00 H new ATOM 0 HE2 LYS A 319 9.605 -21.756 -17.055 1.00 25.00 H new ATOM 0 HE3 LYS A 319 9.584 -21.316 -15.359 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 7.417 -21.021 -16.525 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 7.980 -19.602 -15.782 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 8.116 -19.791 -17.464 1.00 25.00 H new ATOM 399 N GLU A 320 9.857 -19.375 -10.774 1.00 25.00 N ATOM 400 CA GLU A 320 9.945 -20.142 -9.539 1.00 25.00 C ATOM 401 C GLU A 320 9.711 -21.620 -9.841 1.00 25.00 C ATOM 402 O GLU A 320 8.824 -21.959 -10.630 1.00 25.00 O ATOM 403 CB GLU A 320 8.861 -19.671 -8.564 1.00 25.00 C ATOM 404 CG GLU A 320 9.254 -18.454 -7.736 1.00 25.00 C ATOM 405 CD GLU A 320 10.345 -18.773 -6.720 1.00 25.00 C ATOM 406 OE1 GLU A 320 10.317 -19.891 -6.144 1.00 25.00 O ATOM 407 OE2 GLU A 320 11.221 -17.912 -6.490 1.00 25.00 O ATOM 0 H GLU A 320 9.018 -18.799 -10.848 1.00 25.00 H new ATOM 0 HA GLU A 320 10.932 -19.998 -9.100 1.00 25.00 H new ATOM 0 HB2 GLU A 320 7.958 -19.437 -9.127 1.00 25.00 H new ATOM 0 HB3 GLU A 320 8.613 -20.491 -7.890 1.00 25.00 H new ATOM 0 HG2 GLU A 320 9.600 -17.662 -8.400 1.00 25.00 H new ATOM 0 HG3 GLU A 320 8.376 -18.073 -7.215 1.00 25.00 H new ATOM 414 N PRO A 321 10.477 -22.525 -9.200 1.00 25.00 N ATOM 415 CA PRO A 321 10.133 -23.944 -9.358 1.00 25.00 C ATOM 416 C PRO A 321 8.912 -24.294 -8.503 1.00 25.00 C ATOM 417 O PRO A 321 8.396 -25.411 -8.550 1.00 25.00 O ATOM 418 CB PRO A 321 11.386 -24.652 -8.844 1.00 25.00 C ATOM 419 CG PRO A 321 11.889 -23.748 -7.778 1.00 25.00 C ATOM 420 CD PRO A 321 11.639 -22.352 -8.301 1.00 25.00 C ATOM 0 HA PRO A 321 9.872 -24.223 -10.379 1.00 25.00 H new ATOM 0 HB2 PRO A 321 11.154 -25.643 -8.453 1.00 25.00 H new ATOM 0 HB3 PRO A 321 12.123 -24.787 -9.636 1.00 25.00 H new ATOM 0 HG2 PRO A 321 11.365 -23.917 -6.837 1.00 25.00 H new ATOM 0 HG3 PRO A 321 12.949 -23.914 -7.587 1.00 25.00 H new ATOM 0 HD2 PRO A 321 11.421 -21.653 -7.493 1.00 25.00 H new ATOM 0 HD3 PRO A 321 12.505 -21.962 -8.835 1.00 25.00 H new ATOM 428 N SER A 322 8.475 -23.320 -7.717 1.00 25.00 N ATOM 429 CA SER A 322 7.320 -23.455 -6.841 1.00 25.00 C ATOM 430 C SER A 322 6.031 -23.294 -7.646 1.00 25.00 C ATOM 431 O SER A 322 5.630 -22.171 -7.963 1.00 25.00 O ATOM 432 CB SER A 322 7.392 -22.379 -5.756 1.00 25.00 C ATOM 433 OG SER A 322 8.664 -22.399 -5.120 1.00 25.00 O ATOM 0 H SER A 322 8.918 -22.403 -7.669 1.00 25.00 H new ATOM 0 HA SER A 322 7.323 -24.443 -6.381 1.00 25.00 H new ATOM 0 HB2 SER A 322 7.214 -21.398 -6.196 1.00 25.00 H new ATOM 0 HB3 SER A 322 6.607 -22.545 -5.018 1.00 25.00 H new ATOM 0 HG SER A 322 9.194 -21.632 -5.423 1.00 25.00 H new ATOM 439 N LEU A 323 5.401 -24.412 -7.979 1.00 25.00 N ATOM 440 CA LEU A 323 4.167 -24.426 -8.770 1.00 25.00 C ATOM 441 C LEU A 323 3.080 -25.150 -7.990 1.00 25.00 C ATOM 442 O LEU A 323 1.886 -24.901 -8.249 1.00 25.00 O ATOM 443 CB LEU A 323 4.404 -25.148 -10.107 1.00 25.00 C ATOM 444 CG LEU A 323 5.518 -24.602 -11.015 1.00 25.00 C ATOM 445 CD1 LEU A 323 5.664 -25.522 -12.226 1.00 25.00 C ATOM 446 CD2 LEU A 323 5.228 -23.178 -11.480 1.00 25.00 C ATOM 447 OXT LEU A 323 3.454 -25.974 -7.125 1.00 25.00 O ATOM 0 H LEU A 323 5.728 -25.340 -7.710 1.00 25.00 H new ATOM 0 HA LEU A 323 3.858 -23.400 -8.971 1.00 25.00 H new ATOM 0 HB2 LEU A 323 4.626 -26.193 -9.891 1.00 25.00 H new ATOM 0 HB3 LEU A 323 3.471 -25.130 -10.670 1.00 25.00 H new ATOM 0 HG LEU A 323 6.445 -24.575 -10.442 1.00 25.00 H new ATOM 0 HD11 LEU A 323 6.452 -25.144 -12.877 1.00 25.00 H new ATOM 0 HD12 LEU A 323 5.921 -26.527 -11.891 1.00 25.00 H new ATOM 0 HD13 LEU A 323 4.723 -25.553 -12.775 1.00 25.00 H new ATOM 0 HD21 LEU A 323 6.040 -22.831 -12.119 1.00 25.00 H new ATOM 0 HD22 LEU A 323 4.293 -23.161 -12.040 1.00 25.00 H new ATOM 0 HD23 LEU A 323 5.143 -22.522 -10.613 1.00 25.00 H new TER 459 LEU A 323