USER MOD reduce.3.24.130724 H: found=0, std=0, add=238, rem=0, adj=6 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 Set 1.1: A 299 ASN : amide:sc= 0.0209 K(o=0.19,f=-0.99) USER MOD Set 1.2: A 302 LYS NZ :NH3+ -176:sc= 0.173 (180deg=0) USER MOD Single : A 298 THR OG1 : rot 180:sc=-0.00237 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 312 LYS NZ :NH3+ -169:sc= 0.945 (180deg=0.699) USER MOD Single : A 319 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 3.898 9.172 -9.040 1.00 25.00 N ATOM 2 CA THR A 298 3.475 8.397 -10.251 1.00 25.00 C ATOM 3 C THR A 298 2.614 7.208 -9.846 1.00 25.00 C ATOM 4 O THR A 298 2.596 6.853 -8.681 1.00 25.00 O ATOM 5 CB THR A 298 4.722 7.901 -11.046 1.00 25.00 C ATOM 6 OG1 THR A 298 4.304 7.311 -12.282 1.00 25.00 O ATOM 7 CG2 THR A 298 5.537 6.861 -10.273 1.00 25.00 C ATOM 0 HA THR A 298 2.889 9.057 -10.891 1.00 25.00 H new ATOM 0 HB THR A 298 5.353 8.774 -11.217 1.00 25.00 H new ATOM 0 HG1 THR A 298 5.090 7.002 -12.779 1.00 25.00 H new ATOM 0 HG21 THR A 298 6.393 6.550 -10.872 1.00 25.00 H new ATOM 0 HG22 THR A 298 5.888 7.296 -9.337 1.00 25.00 H new ATOM 0 HG23 THR A 298 4.911 5.995 -10.058 1.00 25.00 H new ATOM 17 N ASN A 299 1.886 6.607 -10.785 1.00 25.00 N ATOM 18 CA ASN A 299 0.947 5.523 -10.453 1.00 25.00 C ATOM 19 C ASN A 299 0.805 4.470 -11.567 1.00 25.00 C ATOM 20 O ASN A 299 -0.192 3.769 -11.621 1.00 25.00 O ATOM 21 CB ASN A 299 -0.436 6.160 -10.195 1.00 25.00 C ATOM 22 CG ASN A 299 -1.329 5.299 -9.331 1.00 25.00 C ATOM 23 OD1 ASN A 299 -0.962 4.929 -8.228 1.00 25.00 O ATOM 24 ND2 ASN A 299 -2.499 4.989 -9.817 1.00 25.00 N ATOM 0 H ASN A 299 1.923 6.846 -11.776 1.00 25.00 H new ATOM 0 HA ASN A 299 1.338 5.003 -9.578 1.00 25.00 H new ATOM 0 HB2 ASN A 299 -0.300 7.129 -9.715 1.00 25.00 H new ATOM 0 HB3 ASN A 299 -0.930 6.343 -11.149 1.00 25.00 H new ATOM 0 HD21 ASN A 299 -3.143 4.418 -9.270 1.00 25.00 H new ATOM 0 HD22 ASN A 299 -2.770 5.318 -10.744 1.00 25.00 H new ATOM 31 N ARG A 300 1.781 4.368 -12.470 1.00 25.00 N ATOM 32 CA ARG A 300 1.614 3.518 -13.670 1.00 25.00 C ATOM 33 C ARG A 300 1.261 2.049 -13.404 1.00 25.00 C ATOM 34 O ARG A 300 0.193 1.595 -13.790 1.00 25.00 O ATOM 35 CB ARG A 300 2.826 3.614 -14.623 1.00 25.00 C ATOM 36 CG ARG A 300 4.221 3.580 -13.970 1.00 25.00 C ATOM 37 CD ARG A 300 5.286 3.079 -14.964 1.00 25.00 C ATOM 38 NE ARG A 300 5.447 3.961 -16.138 1.00 25.00 N ATOM 39 CZ ARG A 300 6.253 3.722 -17.171 1.00 25.00 C ATOM 40 NH1 ARG A 300 7.001 2.647 -17.246 1.00 25.00 N ATOM 41 NH2 ARG A 300 6.299 4.577 -18.155 1.00 25.00 N ATOM 0 H ARG A 300 2.679 4.847 -12.406 1.00 25.00 H new ATOM 0 HA ARG A 300 0.734 3.941 -14.154 1.00 25.00 H new ATOM 0 HB2 ARG A 300 2.764 2.793 -15.337 1.00 25.00 H new ATOM 0 HB3 ARG A 300 2.739 4.539 -15.193 1.00 25.00 H new ATOM 0 HG2 ARG A 300 4.486 4.577 -13.620 1.00 25.00 H new ATOM 0 HG3 ARG A 300 4.201 2.930 -13.095 1.00 25.00 H new ATOM 0 HD2 ARG A 300 6.243 2.993 -14.449 1.00 25.00 H new ATOM 0 HD3 ARG A 300 5.015 2.079 -15.303 1.00 25.00 H new ATOM 0 HE ARG A 300 4.898 4.820 -16.159 1.00 25.00 H new ATOM 0 HH11 ARG A 300 6.979 1.957 -16.495 1.00 25.00 H new ATOM 0 HH12 ARG A 300 7.605 2.501 -18.055 1.00 25.00 H new ATOM 0 HH21 ARG A 300 5.722 5.417 -18.128 1.00 25.00 H new ATOM 0 HH22 ARG A 300 6.912 4.405 -18.952 1.00 25.00 H new ATOM 55 N ARG A 301 2.139 1.296 -12.758 1.00 25.00 N ATOM 56 CA ARG A 301 1.908 -0.092 -12.498 1.00 25.00 C ATOM 57 C ARG A 301 0.797 -0.396 -11.494 1.00 25.00 C ATOM 58 O ARG A 301 0.365 -1.526 -11.351 1.00 25.00 O ATOM 59 CB ARG A 301 3.261 -0.669 -12.114 1.00 25.00 C ATOM 60 CG ARG A 301 3.551 -0.915 -10.642 1.00 25.00 C ATOM 61 CD ARG A 301 4.603 -2.015 -10.510 1.00 25.00 C ATOM 62 NE ARG A 301 5.317 -2.001 -9.220 1.00 25.00 N ATOM 63 CZ ARG A 301 6.200 -2.920 -8.832 1.00 25.00 C ATOM 64 NH1 ARG A 301 6.499 -3.965 -9.560 1.00 25.00 N ATOM 65 NH2 ARG A 301 6.799 -2.780 -7.681 1.00 25.00 N ATOM 0 H ARG A 301 3.030 1.644 -12.404 1.00 25.00 H new ATOM 0 HA ARG A 301 1.510 -0.573 -13.392 1.00 25.00 H new ATOM 0 HB2 ARG A 301 3.378 -1.617 -12.638 1.00 25.00 H new ATOM 0 HB3 ARG A 301 4.029 0.004 -12.496 1.00 25.00 H new ATOM 0 HG2 ARG A 301 3.906 0.002 -10.172 1.00 25.00 H new ATOM 0 HG3 ARG A 301 2.637 -1.206 -10.123 1.00 25.00 H new ATOM 0 HD2 ARG A 301 4.121 -2.984 -10.638 1.00 25.00 H new ATOM 0 HD3 ARG A 301 5.328 -1.911 -11.317 1.00 25.00 H new ATOM 0 HE ARG A 301 5.121 -1.233 -8.579 1.00 25.00 H new ATOM 0 HH11 ARG A 301 6.049 -4.101 -10.465 1.00 25.00 H new ATOM 0 HH12 ARG A 301 7.182 -4.643 -9.222 1.00 25.00 H new ATOM 0 HH21 ARG A 301 6.589 -1.975 -7.091 1.00 25.00 H new ATOM 0 HH22 ARG A 301 7.477 -3.476 -7.371 1.00 25.00 H new ATOM 79 N LYS A 302 0.315 0.633 -10.814 1.00 25.00 N ATOM 80 CA LYS A 302 -0.770 0.476 -9.846 1.00 25.00 C ATOM 81 C LYS A 302 -2.130 0.503 -10.552 1.00 25.00 C ATOM 82 O LYS A 302 -3.162 0.506 -9.905 1.00 25.00 O ATOM 83 CB LYS A 302 -0.676 1.569 -8.778 1.00 25.00 C ATOM 84 CG LYS A 302 0.490 1.354 -7.799 1.00 25.00 C ATOM 85 CD LYS A 302 0.565 2.477 -6.765 1.00 25.00 C ATOM 86 CE LYS A 302 -0.739 2.584 -5.962 1.00 25.00 C ATOM 87 NZ LYS A 302 -0.884 3.944 -5.327 1.00 25.00 N ATOM 0 H LYS A 302 0.656 1.589 -10.912 1.00 25.00 H new ATOM 0 HA LYS A 302 -0.673 -0.492 -9.355 1.00 25.00 H new ATOM 0 HB2 LYS A 302 -0.560 2.537 -9.266 1.00 25.00 H new ATOM 0 HB3 LYS A 302 -1.611 1.604 -8.219 1.00 25.00 H new ATOM 0 HG2 LYS A 302 0.369 0.397 -7.291 1.00 25.00 H new ATOM 0 HG3 LYS A 302 1.427 1.304 -8.353 1.00 25.00 H new ATOM 0 HD2 LYS A 302 1.398 2.294 -6.087 1.00 25.00 H new ATOM 0 HD3 LYS A 302 0.764 3.424 -7.267 1.00 25.00 H new ATOM 0 HE2 LYS A 302 -1.589 2.395 -6.618 1.00 25.00 H new ATOM 0 HE3 LYS A 302 -0.756 1.816 -5.189 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 -1.740 3.962 -4.737 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 -0.052 4.142 -4.736 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 -0.960 4.668 -6.070 1.00 25.00 H new ATOM 101 N SER A 303 -2.110 0.503 -11.882 1.00 25.00 N ATOM 102 CA SER A 303 -3.331 0.447 -12.700 1.00 25.00 C ATOM 103 C SER A 303 -4.195 -0.764 -12.365 1.00 25.00 C ATOM 104 O SER A 303 -5.413 -0.694 -12.436 1.00 25.00 O ATOM 105 CB SER A 303 -2.947 0.386 -14.168 1.00 25.00 C ATOM 106 OG SER A 303 -4.067 0.119 -14.996 1.00 25.00 O ATOM 0 H SER A 303 -1.250 0.542 -12.429 1.00 25.00 H new ATOM 0 HA SER A 303 -3.912 1.344 -12.485 1.00 25.00 H new ATOM 0 HB2 SER A 303 -2.493 1.332 -14.464 1.00 25.00 H new ATOM 0 HB3 SER A 303 -2.194 -0.388 -14.315 1.00 25.00 H new ATOM 0 HG SER A 303 -3.781 0.089 -15.933 1.00 25.00 H new ATOM 112 N GLY A 304 -3.561 -1.866 -11.983 1.00 25.00 N ATOM 113 CA GLY A 304 -4.307 -2.996 -11.439 1.00 25.00 C ATOM 114 C GLY A 304 -4.468 -4.300 -12.199 1.00 25.00 C ATOM 115 O GLY A 304 -4.645 -5.347 -11.576 1.00 25.00 O ATOM 0 H GLY A 304 -2.552 -2.002 -12.038 1.00 25.00 H new ATOM 0 HA2 GLY A 304 -3.846 -3.245 -10.483 1.00 25.00 H new ATOM 0 HA3 GLY A 304 -5.312 -2.633 -11.223 1.00 25.00 H new ATOM 119 N LYS A 305 -4.379 -4.287 -13.526 1.00 25.00 N ATOM 120 CA LYS A 305 -4.474 -5.539 -14.315 1.00 25.00 C ATOM 121 C LYS A 305 -3.326 -6.487 -13.944 1.00 25.00 C ATOM 122 O LYS A 305 -3.348 -7.687 -14.214 1.00 25.00 O ATOM 123 CB LYS A 305 -4.434 -5.239 -15.823 1.00 25.00 C ATOM 124 CG LYS A 305 -3.168 -4.515 -16.307 1.00 25.00 C ATOM 125 CD LYS A 305 -3.233 -4.291 -17.759 1.00 25.00 C ATOM 126 CE LYS A 305 -4.156 -3.148 -17.848 1.00 25.00 C ATOM 127 NZ LYS A 305 -4.282 -2.553 -19.229 1.00 25.00 N ATOM 0 H LYS A 305 -4.243 -3.443 -14.083 1.00 25.00 H new ATOM 0 HA LYS A 305 -5.425 -6.017 -14.081 1.00 25.00 H new ATOM 0 HB2 LYS A 305 -4.528 -6.178 -16.368 1.00 25.00 H new ATOM 0 HB3 LYS A 305 -5.302 -4.633 -16.081 1.00 25.00 H new ATOM 0 HG2 LYS A 305 -3.066 -3.561 -15.789 1.00 25.00 H new ATOM 0 HG3 LYS A 305 -2.286 -5.107 -16.062 1.00 25.00 H new ATOM 0 HD2 LYS A 305 -2.255 -4.060 -18.181 1.00 25.00 H new ATOM 0 HD3 LYS A 305 -3.611 -5.164 -18.291 1.00 25.00 H new ATOM 0 HE2 LYS A 305 -5.143 -3.467 -17.512 1.00 25.00 H new ATOM 0 HE3 LYS A 305 -3.820 -2.372 -17.161 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 -4.949 -1.756 -19.204 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 -3.351 -2.216 -19.548 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 -4.633 -3.277 -19.888 1.00 25.00 H new ATOM 141 N TYR A 306 -2.338 -5.889 -13.307 1.00 25.00 N ATOM 142 CA TYR A 306 -1.080 -6.482 -12.902 1.00 25.00 C ATOM 143 C TYR A 306 -1.203 -7.719 -12.035 1.00 25.00 C ATOM 144 O TYR A 306 -0.287 -8.522 -11.999 1.00 25.00 O ATOM 145 CB TYR A 306 -0.277 -5.390 -12.185 1.00 25.00 C ATOM 146 CG TYR A 306 0.109 -4.270 -13.139 1.00 25.00 C ATOM 147 CD1 TYR A 306 -0.867 -3.395 -13.674 1.00 25.00 C ATOM 148 CD2 TYR A 306 1.446 -4.090 -13.529 1.00 25.00 C ATOM 149 CE1 TYR A 306 -0.530 -2.420 -14.592 1.00 25.00 C ATOM 150 CE2 TYR A 306 1.801 -3.089 -14.449 1.00 25.00 C ATOM 151 CZ TYR A 306 0.805 -2.267 -14.992 1.00 25.00 C ATOM 152 OH TYR A 306 1.135 -1.304 -15.909 1.00 25.00 O ATOM 0 H TYR A 306 -2.399 -4.906 -13.040 1.00 25.00 H new ATOM 0 HA TYR A 306 -0.577 -6.842 -13.799 1.00 25.00 H new ATOM 0 HB2 TYR A 306 -0.866 -4.983 -11.363 1.00 25.00 H new ATOM 0 HB3 TYR A 306 0.622 -5.825 -11.748 1.00 25.00 H new ATOM 0 HD1 TYR A 306 -1.895 -3.492 -13.358 1.00 25.00 H new ATOM 0 HD2 TYR A 306 2.212 -4.730 -13.116 1.00 25.00 H new ATOM 0 HE1 TYR A 306 -1.294 -1.776 -15.001 1.00 25.00 H new ATOM 0 HE2 TYR A 306 2.834 -2.954 -14.735 1.00 25.00 H new ATOM 0 HH TYR A 306 2.100 -1.329 -16.077 1.00 25.00 H new ATOM 162 N LYS A 307 -2.333 -7.902 -11.360 1.00 25.00 N ATOM 163 CA LYS A 307 -2.545 -9.121 -10.592 1.00 25.00 C ATOM 164 C LYS A 307 -2.359 -10.354 -11.475 1.00 25.00 C ATOM 165 O LYS A 307 -1.683 -11.286 -11.086 1.00 25.00 O ATOM 166 CB LYS A 307 -3.929 -9.114 -9.952 1.00 25.00 C ATOM 167 CG LYS A 307 -4.020 -9.940 -8.681 1.00 25.00 C ATOM 168 CD LYS A 307 -3.299 -9.308 -7.553 1.00 25.00 C ATOM 169 CE LYS A 307 -3.205 -10.397 -6.555 1.00 25.00 C ATOM 170 NZ LYS A 307 -2.131 -10.184 -5.521 1.00 25.00 N ATOM 0 H LYS A 307 -3.103 -7.234 -11.329 1.00 25.00 H new ATOM 0 HA LYS A 307 -1.801 -9.161 -9.796 1.00 25.00 H new ATOM 0 HB2 LYS A 307 -4.210 -8.085 -9.727 1.00 25.00 H new ATOM 0 HB3 LYS A 307 -4.654 -9.492 -10.673 1.00 25.00 H new ATOM 0 HG2 LYS A 307 -5.067 -10.075 -8.411 1.00 25.00 H new ATOM 0 HG3 LYS A 307 -3.608 -10.932 -8.864 1.00 25.00 H new ATOM 0 HD2 LYS A 307 -2.314 -8.953 -7.854 1.00 25.00 H new ATOM 0 HD3 LYS A 307 -3.842 -8.448 -7.160 1.00 25.00 H new ATOM 0 HE2 LYS A 307 -4.166 -10.499 -6.051 1.00 25.00 H new ATOM 0 HE3 LYS A 307 -3.016 -11.337 -7.074 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 -2.124 -10.985 -4.857 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 -1.206 -10.116 -5.991 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 -2.320 -9.304 -5.000 1.00 25.00 H new ATOM 184 N LYS A 308 -2.952 -10.349 -12.662 1.00 25.00 N ATOM 185 CA LYS A 308 -2.703 -11.416 -13.637 1.00 25.00 C ATOM 186 C LYS A 308 -1.450 -11.159 -14.472 1.00 25.00 C ATOM 187 O LYS A 308 -0.655 -12.052 -14.709 1.00 25.00 O ATOM 188 CB LYS A 308 -3.894 -11.626 -14.565 1.00 25.00 C ATOM 189 CG LYS A 308 -5.016 -12.372 -13.881 1.00 25.00 C ATOM 190 CD LYS A 308 -6.140 -11.442 -13.541 1.00 25.00 C ATOM 191 CE LYS A 308 -6.769 -10.944 -14.829 1.00 25.00 C ATOM 192 NZ LYS A 308 -7.962 -10.050 -14.611 1.00 25.00 N ATOM 0 H LYS A 308 -3.603 -9.629 -12.976 1.00 25.00 H new ATOM 0 HA LYS A 308 -2.547 -12.322 -13.051 1.00 25.00 H new ATOM 0 HB2 LYS A 308 -4.259 -10.659 -14.912 1.00 25.00 H new ATOM 0 HB3 LYS A 308 -3.574 -12.181 -15.447 1.00 25.00 H new ATOM 0 HG2 LYS A 308 -5.380 -13.168 -14.531 1.00 25.00 H new ATOM 0 HG3 LYS A 308 -4.643 -12.847 -12.974 1.00 25.00 H new ATOM 0 HD2 LYS A 308 -6.884 -11.956 -12.932 1.00 25.00 H new ATOM 0 HD3 LYS A 308 -5.770 -10.602 -12.952 1.00 25.00 H new ATOM 0 HE2 LYS A 308 -6.019 -10.401 -15.404 1.00 25.00 H new ATOM 0 HE3 LYS A 308 -7.073 -11.801 -15.430 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 -8.341 -9.747 -15.531 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 -8.695 -10.571 -14.089 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 -7.674 -9.214 -14.063 1.00 25.00 H new ATOM 206 N VAL A 309 -1.323 -9.926 -14.945 1.00 25.00 N ATOM 207 CA VAL A 309 -0.287 -9.561 -15.921 1.00 25.00 C ATOM 208 C VAL A 309 1.154 -9.568 -15.399 1.00 25.00 C ATOM 209 O VAL A 309 1.991 -10.265 -15.934 1.00 25.00 O ATOM 210 CB VAL A 309 -0.596 -8.145 -16.528 1.00 25.00 C ATOM 211 CG1 VAL A 309 0.447 -7.738 -17.551 1.00 25.00 C ATOM 212 CG2 VAL A 309 -1.983 -8.126 -17.192 1.00 25.00 C ATOM 0 H VAL A 309 -1.927 -9.151 -14.670 1.00 25.00 H new ATOM 0 HA VAL A 309 -0.334 -10.349 -16.673 1.00 25.00 H new ATOM 0 HB VAL A 309 -0.576 -7.434 -15.702 1.00 25.00 H new ATOM 0 HG11 VAL A 309 0.201 -6.754 -17.950 1.00 25.00 H new ATOM 0 HG12 VAL A 309 1.428 -7.703 -17.076 1.00 25.00 H new ATOM 0 HG13 VAL A 309 0.463 -8.465 -18.363 1.00 25.00 H new ATOM 0 HG21 VAL A 309 -2.175 -7.136 -17.605 1.00 25.00 H new ATOM 0 HG22 VAL A 309 -2.013 -8.865 -17.992 1.00 25.00 H new ATOM 0 HG23 VAL A 309 -2.745 -8.364 -16.450 1.00 25.00 H new ATOM 222 N GLU A 310 1.451 -8.791 -14.371 1.00 25.00 N ATOM 223 CA GLU A 310 2.832 -8.638 -13.917 1.00 25.00 C ATOM 224 C GLU A 310 3.404 -9.915 -13.331 1.00 25.00 C ATOM 225 O GLU A 310 4.576 -10.212 -13.495 1.00 25.00 O ATOM 226 CB GLU A 310 2.883 -7.556 -12.857 1.00 25.00 C ATOM 227 CG GLU A 310 4.215 -6.824 -12.799 1.00 25.00 C ATOM 228 CD GLU A 310 4.215 -5.656 -11.813 1.00 25.00 C ATOM 229 OE1 GLU A 310 3.279 -5.542 -10.988 1.00 25.00 O ATOM 230 OE2 GLU A 310 5.158 -4.833 -11.868 1.00 25.00 O ATOM 0 H GLU A 310 0.765 -8.259 -13.836 1.00 25.00 H new ATOM 0 HA GLU A 310 3.432 -8.377 -14.788 1.00 25.00 H new ATOM 0 HB2 GLU A 310 2.089 -6.834 -13.048 1.00 25.00 H new ATOM 0 HB3 GLU A 310 2.680 -8.003 -11.884 1.00 25.00 H new ATOM 0 HG2 GLU A 310 4.998 -7.528 -12.518 1.00 25.00 H new ATOM 0 HG3 GLU A 310 4.462 -6.452 -13.793 1.00 25.00 H new ATOM 237 N ILE A 311 2.560 -10.676 -12.651 1.00 25.00 N ATOM 238 CA ILE A 311 2.989 -11.932 -12.037 1.00 25.00 C ATOM 239 C ILE A 311 3.433 -12.881 -13.150 1.00 25.00 C ATOM 240 O ILE A 311 4.356 -13.677 -12.980 1.00 25.00 O ATOM 241 CB ILE A 311 1.832 -12.562 -11.191 1.00 25.00 C ATOM 242 CG1 ILE A 311 1.376 -11.581 -10.081 1.00 25.00 C ATOM 243 CG2 ILE A 311 2.263 -13.918 -10.572 1.00 25.00 C ATOM 244 CD1 ILE A 311 2.463 -11.163 -9.051 1.00 25.00 C ATOM 0 H ILE A 311 1.576 -10.450 -12.508 1.00 25.00 H new ATOM 0 HA ILE A 311 3.820 -11.748 -11.356 1.00 25.00 H new ATOM 0 HB ILE A 311 0.992 -12.750 -11.859 1.00 25.00 H new ATOM 0 HG12 ILE A 311 0.989 -10.680 -10.557 1.00 25.00 H new ATOM 0 HG13 ILE A 311 0.547 -12.037 -9.540 1.00 25.00 H new ATOM 0 HG21 ILE A 311 1.439 -14.331 -9.990 1.00 25.00 H new ATOM 0 HG22 ILE A 311 2.529 -14.613 -11.368 1.00 25.00 H new ATOM 0 HG23 ILE A 311 3.124 -13.764 -9.922 1.00 25.00 H new ATOM 0 HD11 ILE A 311 2.030 -10.476 -8.324 1.00 25.00 H new ATOM 0 HD12 ILE A 311 2.837 -12.048 -8.537 1.00 25.00 H new ATOM 0 HD13 ILE A 311 3.286 -10.671 -9.570 1.00 25.00 H new ATOM 256 N LYS A 312 2.782 -12.771 -14.299 1.00 25.00 N ATOM 257 CA LYS A 312 3.140 -13.583 -15.457 1.00 25.00 C ATOM 258 C LYS A 312 4.437 -13.065 -16.055 1.00 25.00 C ATOM 259 O LYS A 312 5.398 -13.807 -16.195 1.00 25.00 O ATOM 260 CB LYS A 312 2.044 -13.510 -16.522 1.00 25.00 C ATOM 261 CG LYS A 312 1.107 -14.691 -16.537 1.00 25.00 C ATOM 262 CD LYS A 312 0.013 -14.468 -17.583 1.00 25.00 C ATOM 263 CE LYS A 312 -0.544 -15.780 -18.131 1.00 25.00 C ATOM 264 NZ LYS A 312 0.376 -16.367 -19.164 1.00 25.00 N ATOM 0 H LYS A 312 2.005 -12.130 -14.456 1.00 25.00 H new ATOM 0 HA LYS A 312 3.258 -14.617 -15.133 1.00 25.00 H new ATOM 0 HB2 LYS A 312 1.462 -12.602 -16.364 1.00 25.00 H new ATOM 0 HB3 LYS A 312 2.513 -13.422 -17.502 1.00 25.00 H new ATOM 0 HG2 LYS A 312 1.659 -15.603 -16.763 1.00 25.00 H new ATOM 0 HG3 LYS A 312 0.660 -14.825 -15.552 1.00 25.00 H new ATOM 0 HD2 LYS A 312 -0.797 -13.889 -17.140 1.00 25.00 H new ATOM 0 HD3 LYS A 312 0.415 -13.876 -18.405 1.00 25.00 H new ATOM 0 HE2 LYS A 312 -0.681 -16.490 -17.315 1.00 25.00 H new ATOM 0 HE3 LYS A 312 -1.526 -15.607 -18.570 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 -0.104 -17.150 -19.652 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 0.634 -15.634 -19.855 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 1.236 -16.724 -18.700 1.00 25.00 H new ATOM 278 N GLU A 313 4.453 -11.790 -16.409 1.00 25.00 N ATOM 279 CA GLU A 313 5.591 -11.177 -17.100 1.00 25.00 C ATOM 280 C GLU A 313 6.905 -11.295 -16.348 1.00 25.00 C ATOM 281 O GLU A 313 7.953 -11.456 -16.956 1.00 25.00 O ATOM 282 CB GLU A 313 5.312 -9.684 -17.318 1.00 25.00 C ATOM 283 CG GLU A 313 4.187 -9.372 -18.307 1.00 25.00 C ATOM 284 CD GLU A 313 3.783 -7.892 -18.288 1.00 25.00 C ATOM 285 OE1 GLU A 313 3.896 -7.243 -17.218 1.00 25.00 O ATOM 286 OE2 GLU A 313 3.338 -7.380 -19.339 1.00 25.00 O ATOM 0 H GLU A 313 3.682 -11.147 -16.229 1.00 25.00 H new ATOM 0 HA GLU A 313 5.697 -11.720 -18.039 1.00 25.00 H new ATOM 0 HB2 GLU A 313 5.066 -9.232 -16.357 1.00 25.00 H new ATOM 0 HB3 GLU A 313 6.227 -9.207 -17.670 1.00 25.00 H new ATOM 0 HG2 GLU A 313 4.505 -9.646 -19.313 1.00 25.00 H new ATOM 0 HG3 GLU A 313 3.318 -9.986 -18.070 1.00 25.00 H new ATOM 293 N LEU A 314 6.852 -11.216 -15.028 1.00 25.00 N ATOM 294 CA LEU A 314 8.041 -11.285 -14.200 1.00 25.00 C ATOM 295 C LEU A 314 8.783 -12.623 -14.329 1.00 25.00 C ATOM 296 O LEU A 314 9.999 -12.675 -14.154 1.00 25.00 O ATOM 297 CB LEU A 314 7.611 -11.043 -12.748 1.00 25.00 C ATOM 298 CG LEU A 314 8.704 -11.039 -11.678 1.00 25.00 C ATOM 299 CD1 LEU A 314 9.733 -9.926 -11.910 1.00 25.00 C ATOM 300 CD2 LEU A 314 8.062 -10.872 -10.300 1.00 25.00 C ATOM 0 H LEU A 314 5.985 -11.103 -14.503 1.00 25.00 H new ATOM 0 HA LEU A 314 8.746 -10.524 -14.534 1.00 25.00 H new ATOM 0 HB2 LEU A 314 7.096 -10.084 -12.706 1.00 25.00 H new ATOM 0 HB3 LEU A 314 6.882 -11.808 -12.481 1.00 25.00 H new ATOM 0 HG LEU A 314 9.233 -11.990 -11.735 1.00 25.00 H new ATOM 0 HD11 LEU A 314 10.490 -9.961 -11.126 1.00 25.00 H new ATOM 0 HD12 LEU A 314 10.209 -10.067 -12.881 1.00 25.00 H new ATOM 0 HD13 LEU A 314 9.233 -8.958 -11.888 1.00 25.00 H new ATOM 0 HD21 LEU A 314 8.838 -10.869 -9.535 1.00 25.00 H new ATOM 0 HD22 LEU A 314 7.514 -9.930 -10.265 1.00 25.00 H new ATOM 0 HD23 LEU A 314 7.375 -11.698 -10.116 1.00 25.00 H new ATOM 312 N GLY A 315 8.058 -13.700 -14.622 1.00 25.00 N ATOM 313 CA GLY A 315 8.682 -15.017 -14.691 1.00 25.00 C ATOM 314 C GLY A 315 8.518 -15.834 -15.962 1.00 25.00 C ATOM 315 O GLY A 315 9.372 -16.673 -16.251 1.00 25.00 O ATOM 0 H GLY A 315 7.056 -13.688 -14.812 1.00 25.00 H new ATOM 0 HA2 GLY A 315 9.750 -14.887 -14.517 1.00 25.00 H new ATOM 0 HA3 GLY A 315 8.294 -15.611 -13.863 1.00 25.00 H new ATOM 319 N GLU A 316 7.445 -15.642 -16.716 1.00 25.00 N ATOM 320 CA GLU A 316 7.201 -16.468 -17.905 1.00 25.00 C ATOM 321 C GLU A 316 7.978 -16.024 -19.137 1.00 25.00 C ATOM 322 O GLU A 316 8.167 -16.808 -20.055 1.00 25.00 O ATOM 323 CB GLU A 316 5.705 -16.633 -18.199 1.00 25.00 C ATOM 324 CG GLU A 316 5.035 -15.534 -19.015 1.00 25.00 C ATOM 325 CD GLU A 316 3.538 -15.787 -19.149 1.00 25.00 C ATOM 326 OE1 GLU A 316 3.075 -16.875 -18.725 1.00 25.00 O ATOM 327 OE2 GLU A 316 2.809 -14.913 -19.662 1.00 25.00 O ATOM 0 H GLU A 316 6.734 -14.933 -16.535 1.00 25.00 H new ATOM 0 HA GLU A 316 7.595 -17.452 -17.653 1.00 25.00 H new ATOM 0 HB2 GLU A 316 5.565 -17.578 -18.724 1.00 25.00 H new ATOM 0 HB3 GLU A 316 5.180 -16.716 -17.247 1.00 25.00 H new ATOM 0 HG2 GLU A 316 5.203 -14.569 -18.538 1.00 25.00 H new ATOM 0 HG3 GLU A 316 5.489 -15.483 -20.005 1.00 25.00 H new ATOM 334 N LEU A 317 8.410 -14.766 -19.151 1.00 25.00 N ATOM 335 CA LEU A 317 9.129 -14.157 -20.290 1.00 25.00 C ATOM 336 C LEU A 317 10.388 -14.894 -20.784 1.00 25.00 C ATOM 337 O LEU A 317 10.934 -14.574 -21.830 1.00 25.00 O ATOM 338 CB LEU A 317 9.512 -12.711 -19.924 1.00 25.00 C ATOM 339 CG LEU A 317 10.830 -12.460 -19.147 1.00 25.00 C ATOM 340 CD1 LEU A 317 11.023 -10.953 -18.997 1.00 25.00 C ATOM 341 CD2 LEU A 317 10.878 -13.114 -17.752 1.00 25.00 C ATOM 0 H LEU A 317 8.274 -14.126 -18.369 1.00 25.00 H new ATOM 0 HA LEU A 317 8.427 -14.216 -21.122 1.00 25.00 H new ATOM 0 HB2 LEU A 317 9.561 -12.138 -20.850 1.00 25.00 H new ATOM 0 HB3 LEU A 317 8.696 -12.293 -19.334 1.00 25.00 H new ATOM 0 HG LEU A 317 11.629 -12.923 -19.726 1.00 25.00 H new ATOM 0 HD11 LEU A 317 11.946 -10.757 -18.452 1.00 25.00 H new ATOM 0 HD12 LEU A 317 11.079 -10.493 -19.984 1.00 25.00 H new ATOM 0 HD13 LEU A 317 10.181 -10.531 -18.448 1.00 25.00 H new ATOM 0 HD21 LEU A 317 11.833 -12.889 -17.277 1.00 25.00 H new ATOM 0 HD22 LEU A 317 10.067 -12.722 -17.138 1.00 25.00 H new ATOM 0 HD23 LEU A 317 10.768 -14.194 -17.852 1.00 25.00 H new ATOM 353 N ARG A 318 10.836 -15.881 -20.023 1.00 25.00 N ATOM 354 CA ARG A 318 12.006 -16.695 -20.370 1.00 25.00 C ATOM 355 C ARG A 318 11.611 -17.902 -21.229 1.00 25.00 C ATOM 356 O ARG A 318 12.424 -18.791 -21.463 1.00 25.00 O ATOM 357 CB ARG A 318 12.695 -17.160 -19.086 1.00 25.00 C ATOM 358 CG ARG A 318 11.841 -18.093 -18.238 1.00 25.00 C ATOM 359 CD ARG A 318 12.446 -18.273 -16.863 1.00 25.00 C ATOM 360 NE ARG A 318 11.564 -19.076 -16.002 1.00 25.00 N ATOM 361 CZ ARG A 318 11.620 -20.395 -15.858 1.00 25.00 C ATOM 362 NH1 ARG A 318 12.489 -21.140 -16.498 1.00 25.00 N ATOM 363 NH2 ARG A 318 10.778 -20.979 -15.050 1.00 25.00 N ATOM 0 H ARG A 318 10.400 -16.147 -19.140 1.00 25.00 H new ATOM 0 HA ARG A 318 12.693 -16.085 -20.956 1.00 25.00 H new ATOM 0 HB2 ARG A 318 13.624 -17.667 -19.346 1.00 25.00 H new ATOM 0 HB3 ARG A 318 12.964 -16.287 -18.492 1.00 25.00 H new ATOM 0 HG2 ARG A 318 10.833 -17.688 -18.147 1.00 25.00 H new ATOM 0 HG3 ARG A 318 11.752 -19.061 -18.731 1.00 25.00 H new ATOM 0 HD2 ARG A 318 13.417 -18.760 -16.950 1.00 25.00 H new ATOM 0 HD3 ARG A 318 12.617 -17.298 -16.406 1.00 25.00 H new ATOM 0 HE ARG A 318 10.850 -18.578 -15.471 1.00 25.00 H new ATOM 0 HH11 ARG A 318 13.158 -20.709 -17.137 1.00 25.00 H new ATOM 0 HH12 ARG A 318 12.496 -22.150 -16.357 1.00 25.00 H new ATOM 0 HH21 ARG A 318 10.091 -20.423 -14.541 1.00 25.00 H new ATOM 0 HH22 ARG A 318 10.807 -21.991 -14.928 1.00 25.00 H new ATOM 377 N LYS A 319 10.359 -17.937 -21.664 1.00 25.00 N ATOM 378 CA LYS A 319 9.825 -19.034 -22.473 1.00 25.00 C ATOM 379 C LYS A 319 9.300 -18.500 -23.789 1.00 25.00 C ATOM 380 O LYS A 319 8.941 -17.335 -23.884 1.00 25.00 O ATOM 381 CB LYS A 319 8.622 -19.656 -21.773 1.00 25.00 C ATOM 382 CG LYS A 319 8.881 -20.300 -20.424 1.00 25.00 C ATOM 383 CD LYS A 319 7.533 -20.655 -19.803 1.00 25.00 C ATOM 384 CE LYS A 319 6.772 -21.664 -20.682 1.00 25.00 C ATOM 385 NZ LYS A 319 5.308 -21.717 -20.349 1.00 25.00 N ATOM 0 H LYS A 319 9.678 -17.203 -21.467 1.00 25.00 H new ATOM 0 HA LYS A 319 10.628 -19.756 -22.621 1.00 25.00 H new ATOM 0 HB2 LYS A 319 7.866 -18.882 -21.642 1.00 25.00 H new ATOM 0 HB3 LYS A 319 8.195 -20.410 -22.434 1.00 25.00 H new ATOM 0 HG2 LYS A 319 9.494 -21.194 -20.540 1.00 25.00 H new ATOM 0 HG3 LYS A 319 9.431 -19.618 -19.776 1.00 25.00 H new ATOM 0 HD2 LYS A 319 7.685 -21.075 -18.809 1.00 25.00 H new ATOM 0 HD3 LYS A 319 6.936 -19.752 -19.679 1.00 25.00 H new ATOM 0 HE2 LYS A 319 6.895 -21.394 -21.731 1.00 25.00 H new ATOM 0 HE3 LYS A 319 7.208 -22.655 -20.555 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 4.837 -22.409 -20.966 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 5.188 -22.000 -19.355 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 4.885 -20.778 -20.495 1.00 25.00 H new ATOM 399 N GLU A 320 9.216 -19.369 -24.781 1.00 25.00 N ATOM 400 CA GLU A 320 8.585 -19.031 -26.053 1.00 25.00 C ATOM 401 C GLU A 320 7.072 -19.080 -25.831 1.00 25.00 C ATOM 402 O GLU A 320 6.525 -20.126 -25.471 1.00 25.00 O ATOM 403 CB GLU A 320 9.010 -20.037 -27.122 1.00 25.00 C ATOM 404 CG GLU A 320 10.493 -19.920 -27.479 1.00 25.00 C ATOM 405 CD GLU A 320 11.091 -21.240 -27.935 1.00 25.00 C ATOM 406 OE1 GLU A 320 11.135 -22.183 -27.111 1.00 25.00 O ATOM 407 OE2 GLU A 320 11.524 -21.335 -29.102 1.00 25.00 O ATOM 0 H GLU A 320 9.578 -20.321 -24.733 1.00 25.00 H new ATOM 0 HA GLU A 320 8.884 -18.040 -26.394 1.00 25.00 H new ATOM 0 HB2 GLU A 320 8.803 -21.047 -26.769 1.00 25.00 H new ATOM 0 HB3 GLU A 320 8.410 -19.884 -28.019 1.00 25.00 H new ATOM 0 HG2 GLU A 320 10.615 -19.178 -28.268 1.00 25.00 H new ATOM 0 HG3 GLU A 320 11.044 -19.556 -26.612 1.00 25.00 H new ATOM 414 N PRO A 321 6.371 -17.944 -26.025 1.00 25.00 N ATOM 415 CA PRO A 321 4.915 -17.986 -25.860 1.00 25.00 C ATOM 416 C PRO A 321 4.209 -18.437 -27.136 1.00 25.00 C ATOM 417 O PRO A 321 2.982 -18.448 -27.203 1.00 25.00 O ATOM 418 CB PRO A 321 4.581 -16.528 -25.557 1.00 25.00 C ATOM 419 CG PRO A 321 5.538 -15.774 -26.407 1.00 25.00 C ATOM 420 CD PRO A 321 6.823 -16.581 -26.382 1.00 25.00 C ATOM 0 HA PRO A 321 4.596 -18.691 -25.092 1.00 25.00 H new ATOM 0 HB2 PRO A 321 3.547 -16.292 -25.808 1.00 25.00 H new ATOM 0 HB3 PRO A 321 4.713 -16.296 -24.500 1.00 25.00 H new ATOM 0 HG2 PRO A 321 5.161 -15.668 -27.424 1.00 25.00 H new ATOM 0 HG3 PRO A 321 5.699 -14.768 -26.020 1.00 25.00 H new ATOM 0 HD2 PRO A 321 7.325 -16.566 -27.349 1.00 25.00 H new ATOM 0 HD3 PRO A 321 7.529 -16.188 -25.650 1.00 25.00 H new ATOM 428 N SER A 322 4.995 -18.792 -28.144 1.00 25.00 N ATOM 429 CA SER A 322 4.474 -19.162 -29.449 1.00 25.00 C ATOM 430 C SER A 322 4.983 -20.539 -29.811 1.00 25.00 C ATOM 431 O SER A 322 6.154 -20.847 -29.607 1.00 25.00 O ATOM 432 CB SER A 322 4.936 -18.155 -30.501 1.00 25.00 C ATOM 433 OG SER A 322 4.544 -16.837 -30.147 1.00 25.00 O ATOM 0 H SER A 322 6.012 -18.831 -28.078 1.00 25.00 H new ATOM 0 HA SER A 322 3.384 -19.165 -29.416 1.00 25.00 H new ATOM 0 HB2 SER A 322 6.020 -18.201 -30.603 1.00 25.00 H new ATOM 0 HB3 SER A 322 4.513 -18.416 -31.471 1.00 25.00 H new ATOM 0 HG SER A 322 4.852 -16.209 -30.833 1.00 25.00 H new ATOM 439 N LEU A 323 4.080 -21.350 -30.335 1.00 25.00 N ATOM 440 CA LEU A 323 4.357 -22.728 -30.745 1.00 25.00 C ATOM 441 C LEU A 323 3.664 -22.949 -32.082 1.00 25.00 C ATOM 442 O LEU A 323 2.674 -22.221 -32.318 1.00 25.00 O ATOM 443 CB LEU A 323 3.797 -23.715 -29.708 1.00 25.00 C ATOM 444 CG LEU A 323 4.397 -23.660 -28.293 1.00 25.00 C ATOM 445 CD1 LEU A 323 3.592 -24.573 -27.373 1.00 25.00 C ATOM 446 CD2 LEU A 323 5.864 -24.086 -28.290 1.00 25.00 C ATOM 447 OXT LEU A 323 4.090 -23.828 -32.861 1.00 25.00 O ATOM 0 H LEU A 323 3.112 -21.069 -30.493 1.00 25.00 H new ATOM 0 HA LEU A 323 5.432 -22.892 -30.826 1.00 25.00 H new ATOM 0 HB2 LEU A 323 2.723 -23.547 -29.627 1.00 25.00 H new ATOM 0 HB3 LEU A 323 3.933 -24.725 -30.094 1.00 25.00 H new ATOM 0 HG LEU A 323 4.349 -22.631 -27.938 1.00 25.00 H new ATOM 0 HD11 LEU A 323 4.012 -24.539 -26.368 1.00 25.00 H new ATOM 0 HD12 LEU A 323 2.555 -24.238 -27.344 1.00 25.00 H new ATOM 0 HD13 LEU A 323 3.633 -25.595 -27.749 1.00 25.00 H new ATOM 0 HD21 LEU A 323 6.256 -24.035 -27.274 1.00 25.00 H new ATOM 0 HD22 LEU A 323 5.947 -25.108 -28.660 1.00 25.00 H new ATOM 0 HD23 LEU A 323 6.438 -23.419 -28.934 1.00 25.00 H new TER 459 LEU A 323