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 Single : A 298 THR OG1 : rot 26:sc= 0.67 USER MOD Single : A 299 ASN : amide:sc= 0.101 K(o=0.1,f=-3.5!) 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+ 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+ 173:sc= 0.531 (180deg=0.423) USER MOD Single : A 319 LYS NZ :NH3+ 155:sc= 0.131 (180deg=-0.0416) USER MOD Single : A 322 SER OG : rot 142:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 2.845 5.461 -6.441 1.00 25.00 N ATOM 2 CA THR A 298 3.863 6.041 -7.354 1.00 25.00 C ATOM 3 C THR A 298 3.564 5.663 -8.812 1.00 25.00 C ATOM 4 O THR A 298 2.590 6.153 -9.362 1.00 25.00 O ATOM 5 CB THR A 298 5.278 5.562 -6.940 1.00 25.00 C ATOM 6 OG1 THR A 298 5.306 5.432 -5.519 1.00 25.00 O ATOM 7 CG2 THR A 298 6.348 6.567 -7.342 1.00 25.00 C ATOM 0 HA THR A 298 3.825 7.128 -7.276 1.00 25.00 H new ATOM 0 HB THR A 298 5.483 4.616 -7.441 1.00 25.00 H new ATOM 0 HG1 THR A 298 4.398 5.269 -5.187 1.00 25.00 H new ATOM 0 HG21 THR A 298 7.327 6.198 -7.036 1.00 25.00 H new ATOM 0 HG22 THR A 298 6.333 6.702 -8.424 1.00 25.00 H new ATOM 0 HG23 THR A 298 6.152 7.522 -6.855 1.00 25.00 H new ATOM 17 N ASN A 299 4.366 4.804 -9.438 1.00 25.00 N ATOM 18 CA ASN A 299 4.184 4.397 -10.804 1.00 25.00 C ATOM 19 C ASN A 299 2.814 3.803 -11.002 1.00 25.00 C ATOM 20 O ASN A 299 2.242 3.125 -10.146 1.00 25.00 O ATOM 21 CB ASN A 299 5.262 3.373 -11.210 1.00 25.00 C ATOM 22 CG ASN A 299 6.672 3.915 -11.064 1.00 25.00 C ATOM 23 OD1 ASN A 299 7.063 4.351 -9.994 1.00 25.00 O ATOM 24 ND2 ASN A 299 7.432 3.880 -12.122 1.00 25.00 N ATOM 0 H ASN A 299 5.173 4.370 -8.989 1.00 25.00 H new ATOM 0 HA ASN A 299 4.279 5.280 -11.437 1.00 25.00 H new ATOM 0 HB2 ASN A 299 5.156 2.478 -10.597 1.00 25.00 H new ATOM 0 HB3 ASN A 299 5.099 3.071 -12.245 1.00 25.00 H new ATOM 0 HD21 ASN A 299 8.391 4.225 -12.073 1.00 25.00 H new ATOM 0 HD22 ASN A 299 7.068 3.508 -12.999 1.00 25.00 H new ATOM 31 N ARG A 300 2.316 4.088 -12.180 1.00 25.00 N ATOM 32 CA ARG A 300 1.049 3.757 -12.666 1.00 25.00 C ATOM 33 C ARG A 300 0.636 2.287 -12.722 1.00 25.00 C ATOM 34 O ARG A 300 -0.522 1.993 -12.999 1.00 25.00 O ATOM 35 CB ARG A 300 1.161 4.363 -14.034 1.00 25.00 C ATOM 36 CG ARG A 300 0.579 5.742 -14.106 1.00 25.00 C ATOM 37 CD ARG A 300 0.283 6.213 -15.539 1.00 25.00 C ATOM 38 NE ARG A 300 1.496 6.477 -16.337 1.00 25.00 N ATOM 39 CZ ARG A 300 1.500 6.958 -17.580 1.00 25.00 C ATOM 40 NH1 ARG A 300 0.396 7.249 -18.224 1.00 25.00 N ATOM 41 NH2 ARG A 300 2.640 7.161 -18.182 1.00 25.00 N ATOM 0 H ARG A 300 2.860 4.608 -12.869 1.00 25.00 H new ATOM 0 HA ARG A 300 0.262 4.113 -12.001 1.00 25.00 H new ATOM 0 HB2 ARG A 300 2.211 4.401 -14.325 1.00 25.00 H new ATOM 0 HB3 ARG A 300 0.653 3.721 -14.754 1.00 25.00 H new ATOM 0 HG2 ARG A 300 -0.344 5.768 -13.526 1.00 25.00 H new ATOM 0 HG3 ARG A 300 1.270 6.443 -13.638 1.00 25.00 H new ATOM 0 HD2 ARG A 300 -0.317 5.456 -16.045 1.00 25.00 H new ATOM 0 HD3 ARG A 300 -0.319 7.121 -15.497 1.00 25.00 H new ATOM 0 HE ARG A 300 2.398 6.277 -15.905 1.00 25.00 H new ATOM 0 HH11 ARG A 300 -0.509 7.109 -17.774 1.00 25.00 H new ATOM 0 HH12 ARG A 300 0.442 7.615 -19.175 1.00 25.00 H new ATOM 0 HH21 ARG A 300 3.515 6.952 -17.701 1.00 25.00 H new ATOM 0 HH22 ARG A 300 2.656 7.529 -19.133 1.00 25.00 H new ATOM 55 N ARG A 301 1.540 1.355 -12.434 1.00 25.00 N ATOM 56 CA ARG A 301 1.231 -0.025 -12.375 1.00 25.00 C ATOM 57 C ARG A 301 0.236 -0.387 -11.267 1.00 25.00 C ATOM 58 O ARG A 301 -0.266 -1.504 -11.207 1.00 25.00 O ATOM 59 CB ARG A 301 2.567 -0.724 -12.244 1.00 25.00 C ATOM 60 CG ARG A 301 3.232 -0.770 -10.875 1.00 25.00 C ATOM 61 CD ARG A 301 4.363 -1.799 -10.943 1.00 25.00 C ATOM 62 NE ARG A 301 5.189 -1.894 -9.728 1.00 25.00 N ATOM 63 CZ ARG A 301 6.189 -2.761 -9.562 1.00 25.00 C ATOM 64 NH1 ARG A 301 6.522 -3.637 -10.475 1.00 25.00 N ATOM 65 NH2 ARG A 301 6.873 -2.744 -8.450 1.00 25.00 N ATOM 0 H ARG A 301 2.518 1.566 -12.236 1.00 25.00 H new ATOM 0 HA ARG A 301 0.703 -0.349 -13.272 1.00 25.00 H new ATOM 0 HB2 ARG A 301 2.438 -1.751 -12.585 1.00 25.00 H new ATOM 0 HB3 ARG A 301 3.261 -0.244 -12.934 1.00 25.00 H new ATOM 0 HG2 ARG A 301 3.623 0.211 -10.606 1.00 25.00 H new ATOM 0 HG3 ARG A 301 2.509 -1.046 -10.107 1.00 25.00 H new ATOM 0 HD2 ARG A 301 3.931 -2.779 -11.149 1.00 25.00 H new ATOM 0 HD3 ARG A 301 5.009 -1.552 -11.785 1.00 25.00 H new ATOM 0 HE ARG A 301 4.983 -1.254 -8.961 1.00 25.00 H new ATOM 0 HH11 ARG A 301 6.009 -3.675 -11.356 1.00 25.00 H new ATOM 0 HH12 ARG A 301 7.294 -4.282 -10.306 1.00 25.00 H new ATOM 0 HH21 ARG A 301 6.641 -2.072 -7.719 1.00 25.00 H new ATOM 0 HH22 ARG A 301 7.640 -3.403 -8.313 1.00 25.00 H new ATOM 79 N LYS A 302 -0.087 0.591 -10.422 1.00 25.00 N ATOM 80 CA LYS A 302 -1.141 0.442 -9.406 1.00 25.00 C ATOM 81 C LYS A 302 -2.526 0.264 -10.048 1.00 25.00 C ATOM 82 O LYS A 302 -3.498 0.032 -9.349 1.00 25.00 O ATOM 83 CB LYS A 302 -1.179 1.661 -8.470 1.00 25.00 C ATOM 84 CG LYS A 302 -1.528 2.998 -9.170 1.00 25.00 C ATOM 85 CD LYS A 302 -2.429 3.879 -8.288 1.00 25.00 C ATOM 86 CE LYS A 302 -3.757 3.164 -7.992 1.00 25.00 C ATOM 87 NZ LYS A 302 -4.690 3.965 -7.111 1.00 25.00 N ATOM 0 H LYS A 302 0.367 1.504 -10.418 1.00 25.00 H new ATOM 0 HA LYS A 302 -0.900 -0.453 -8.832 1.00 25.00 H new ATOM 0 HB2 LYS A 302 -1.910 1.476 -7.683 1.00 25.00 H new ATOM 0 HB3 LYS A 302 -0.208 1.762 -7.986 1.00 25.00 H new ATOM 0 HG2 LYS A 302 -0.610 3.536 -9.406 1.00 25.00 H new ATOM 0 HG3 LYS A 302 -2.030 2.794 -10.116 1.00 25.00 H new ATOM 0 HD2 LYS A 302 -1.918 4.111 -7.354 1.00 25.00 H new ATOM 0 HD3 LYS A 302 -2.623 4.827 -8.789 1.00 25.00 H new ATOM 0 HE2 LYS A 302 -4.259 2.943 -8.934 1.00 25.00 H new ATOM 0 HE3 LYS A 302 -3.547 2.209 -7.511 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 -5.565 3.426 -6.951 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 -4.228 4.154 -6.198 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 -4.919 4.866 -7.577 1.00 25.00 H new ATOM 101 N SER A 303 -2.587 0.367 -11.373 1.00 25.00 N ATOM 102 CA SER A 303 -3.811 0.138 -12.150 1.00 25.00 C ATOM 103 C SER A 303 -4.450 -1.202 -11.808 1.00 25.00 C ATOM 104 O SER A 303 -5.664 -1.327 -11.801 1.00 25.00 O ATOM 105 CB SER A 303 -3.451 0.151 -13.624 1.00 25.00 C ATOM 106 OG SER A 303 -4.418 -0.524 -14.412 1.00 25.00 O ATOM 0 H SER A 303 -1.781 0.614 -11.948 1.00 25.00 H new ATOM 0 HA SER A 303 -4.527 0.924 -11.911 1.00 25.00 H new ATOM 0 HB2 SER A 303 -3.360 1.182 -13.966 1.00 25.00 H new ATOM 0 HB3 SER A 303 -2.477 -0.319 -13.764 1.00 25.00 H new ATOM 0 HG SER A 303 -4.152 -0.493 -15.355 1.00 25.00 H new ATOM 112 N GLY A 304 -3.625 -2.196 -11.500 1.00 25.00 N ATOM 113 CA GLY A 304 -4.149 -3.432 -10.932 1.00 25.00 C ATOM 114 C GLY A 304 -4.339 -4.679 -11.770 1.00 25.00 C ATOM 115 O GLY A 304 -4.286 -5.790 -11.240 1.00 25.00 O ATOM 0 H GLY A 304 -2.614 -2.173 -11.630 1.00 25.00 H new ATOM 0 HA2 GLY A 304 -3.490 -3.704 -10.107 1.00 25.00 H new ATOM 0 HA3 GLY A 304 -5.120 -3.193 -10.499 1.00 25.00 H new ATOM 119 N LYS A 305 -4.516 -4.527 -13.078 1.00 25.00 N ATOM 120 CA LYS A 305 -4.628 -5.682 -14.003 1.00 25.00 C ATOM 121 C LYS A 305 -3.346 -6.531 -13.948 1.00 25.00 C ATOM 122 O LYS A 305 -3.284 -7.665 -14.412 1.00 25.00 O ATOM 123 CB LYS A 305 -4.911 -5.170 -15.428 1.00 25.00 C ATOM 124 CG LYS A 305 -3.911 -4.128 -15.960 1.00 25.00 C ATOM 125 CD LYS A 305 -4.344 -3.635 -17.280 1.00 25.00 C ATOM 126 CE LYS A 305 -3.964 -4.750 -18.153 1.00 25.00 C ATOM 127 NZ LYS A 305 -4.126 -4.504 -19.636 1.00 25.00 N ATOM 0 H LYS A 305 -4.587 -3.618 -13.536 1.00 25.00 H new ATOM 0 HA LYS A 305 -5.457 -6.321 -13.699 1.00 25.00 H new ATOM 0 HB2 LYS A 305 -4.920 -6.022 -16.108 1.00 25.00 H new ATOM 0 HB3 LYS A 305 -5.910 -4.735 -15.449 1.00 25.00 H new ATOM 0 HG2 LYS A 305 -3.835 -3.296 -15.260 1.00 25.00 H new ATOM 0 HG3 LYS A 305 -2.918 -4.572 -16.037 1.00 25.00 H new ATOM 0 HD2 LYS A 305 -5.415 -3.437 -17.312 1.00 25.00 H new ATOM 0 HD3 LYS A 305 -3.840 -2.709 -17.556 1.00 25.00 H new ATOM 0 HE2 LYS A 305 -2.922 -5.003 -17.957 1.00 25.00 H new ATOM 0 HE3 LYS A 305 -4.560 -5.621 -17.880 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 -3.831 -5.351 -20.163 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 -5.123 -4.295 -19.846 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 -3.536 -3.696 -19.920 1.00 25.00 H new ATOM 141 N TYR A 306 -2.344 -5.928 -13.344 1.00 25.00 N ATOM 142 CA TYR A 306 -1.004 -6.440 -13.155 1.00 25.00 C ATOM 143 C TYR A 306 -0.954 -7.720 -12.344 1.00 25.00 C ATOM 144 O TYR A 306 -0.001 -8.472 -12.462 1.00 25.00 O ATOM 145 CB TYR A 306 -0.183 -5.329 -12.490 1.00 25.00 C ATOM 146 CG TYR A 306 -0.032 -4.136 -13.416 1.00 25.00 C ATOM 147 CD1 TYR A 306 -1.149 -3.347 -13.760 1.00 25.00 C ATOM 148 CD2 TYR A 306 1.212 -3.800 -13.973 1.00 25.00 C ATOM 149 CE1 TYR A 306 -1.056 -2.309 -14.640 1.00 25.00 C ATOM 150 CE2 TYR A 306 1.331 -2.710 -14.863 1.00 25.00 C ATOM 151 CZ TYR A 306 0.188 -1.973 -15.203 1.00 25.00 C ATOM 152 OH TYR A 306 0.281 -0.918 -16.075 1.00 25.00 O ATOM 0 H TYR A 306 -2.454 -4.997 -12.942 1.00 25.00 H new ATOM 0 HA TYR A 306 -0.590 -6.711 -14.126 1.00 25.00 H new ATOM 0 HB2 TYR A 306 -0.668 -5.017 -11.565 1.00 25.00 H new ATOM 0 HB3 TYR A 306 0.801 -5.711 -12.220 1.00 25.00 H new ATOM 0 HD1 TYR A 306 -2.106 -3.571 -13.313 1.00 25.00 H new ATOM 0 HD2 TYR A 306 2.086 -4.381 -13.718 1.00 25.00 H new ATOM 0 HE1 TYR A 306 -1.938 -1.745 -14.904 1.00 25.00 H new ATOM 0 HE2 TYR A 306 2.293 -2.447 -15.278 1.00 25.00 H new ATOM 0 HH TYR A 306 1.210 -0.819 -16.371 1.00 25.00 H new ATOM 162 N LYS A 307 -1.980 -7.995 -11.547 1.00 25.00 N ATOM 163 CA LYS A 307 -2.035 -9.266 -10.832 1.00 25.00 C ATOM 164 C LYS A 307 -1.960 -10.422 -11.829 1.00 25.00 C ATOM 165 O LYS A 307 -1.272 -11.396 -11.592 1.00 25.00 O ATOM 166 CB LYS A 307 -3.306 -9.354 -9.991 1.00 25.00 C ATOM 167 CG LYS A 307 -3.155 -10.209 -8.737 1.00 25.00 C ATOM 168 CD LYS A 307 -2.327 -9.555 -7.697 1.00 25.00 C ATOM 169 CE LYS A 307 -2.035 -10.662 -6.757 1.00 25.00 C ATOM 170 NZ LYS A 307 -0.908 -10.384 -5.795 1.00 25.00 N ATOM 0 H LYS A 307 -2.769 -7.371 -11.381 1.00 25.00 H new ATOM 0 HA LYS A 307 -1.182 -9.331 -10.156 1.00 25.00 H new ATOM 0 HB2 LYS A 307 -3.608 -8.348 -9.700 1.00 25.00 H new ATOM 0 HB3 LYS A 307 -4.109 -9.763 -10.604 1.00 25.00 H new ATOM 0 HG2 LYS A 307 -4.142 -10.424 -8.328 1.00 25.00 H new ATOM 0 HG3 LYS A 307 -2.706 -11.165 -9.006 1.00 25.00 H new ATOM 0 HD2 LYS A 307 -1.415 -9.130 -8.116 1.00 25.00 H new ATOM 0 HD3 LYS A 307 -2.862 -8.741 -7.208 1.00 25.00 H new ATOM 0 HE2 LYS A 307 -2.937 -10.885 -6.186 1.00 25.00 H new ATOM 0 HE3 LYS A 307 -1.793 -11.556 -7.332 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 -0.770 -11.207 -5.175 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 -0.034 -10.201 -6.328 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 -1.142 -9.551 -5.218 1.00 25.00 H new ATOM 184 N LYS A 308 -2.662 -10.299 -12.948 1.00 25.00 N ATOM 185 CA LYS A 308 -2.554 -11.277 -14.032 1.00 25.00 C ATOM 186 C LYS A 308 -1.385 -10.995 -14.975 1.00 25.00 C ATOM 187 O LYS A 308 -0.711 -11.905 -15.412 1.00 25.00 O ATOM 188 CB LYS A 308 -3.850 -11.311 -14.855 1.00 25.00 C ATOM 189 CG LYS A 308 -5.134 -11.284 -14.026 1.00 25.00 C ATOM 190 CD LYS A 308 -5.232 -12.503 -13.122 1.00 25.00 C ATOM 191 CE LYS A 308 -5.292 -13.794 -13.955 1.00 25.00 C ATOM 192 NZ LYS A 308 -6.659 -14.072 -14.526 1.00 25.00 N ATOM 0 H LYS A 308 -3.312 -9.535 -13.132 1.00 25.00 H new ATOM 0 HA LYS A 308 -2.377 -12.240 -13.553 1.00 25.00 H new ATOM 0 HB2 LYS A 308 -3.855 -10.459 -15.535 1.00 25.00 H new ATOM 0 HB3 LYS A 308 -3.850 -12.211 -15.471 1.00 25.00 H new ATOM 0 HG2 LYS A 308 -5.161 -10.377 -13.422 1.00 25.00 H new ATOM 0 HG3 LYS A 308 -5.998 -11.250 -14.690 1.00 25.00 H new ATOM 0 HD2 LYS A 308 -4.372 -12.536 -12.453 1.00 25.00 H new ATOM 0 HD3 LYS A 308 -6.121 -12.427 -12.496 1.00 25.00 H new ATOM 0 HE2 LYS A 308 -4.572 -13.726 -14.771 1.00 25.00 H new ATOM 0 HE3 LYS A 308 -4.988 -14.635 -13.332 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 -6.633 -14.954 -15.076 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 -7.346 -14.167 -13.751 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 -6.943 -13.286 -15.146 1.00 25.00 H new ATOM 206 N VAL A 309 -1.186 -9.725 -15.301 1.00 25.00 N ATOM 207 CA VAL A 309 -0.196 -9.316 -16.310 1.00 25.00 C ATOM 208 C VAL A 309 1.263 -9.309 -15.855 1.00 25.00 C ATOM 209 O VAL A 309 2.087 -9.972 -16.432 1.00 25.00 O ATOM 210 CB VAL A 309 -0.542 -7.878 -16.839 1.00 25.00 C ATOM 211 CG1 VAL A 309 0.504 -7.348 -17.832 1.00 25.00 C ATOM 212 CG2 VAL A 309 -1.922 -7.874 -17.502 1.00 25.00 C ATOM 0 H VAL A 309 -1.698 -8.948 -14.882 1.00 25.00 H new ATOM 0 HA VAL A 309 -0.270 -10.082 -17.082 1.00 25.00 H new ATOM 0 HB VAL A 309 -0.542 -7.216 -15.973 1.00 25.00 H new ATOM 0 HG11 VAL A 309 0.216 -6.351 -18.166 1.00 25.00 H new ATOM 0 HG12 VAL A 309 1.477 -7.300 -17.344 1.00 25.00 H new ATOM 0 HG13 VAL A 309 0.561 -8.016 -18.691 1.00 25.00 H new ATOM 0 HG21 VAL A 309 -2.149 -6.871 -17.864 1.00 25.00 H new ATOM 0 HG22 VAL A 309 -1.925 -8.571 -18.340 1.00 25.00 H new ATOM 0 HG23 VAL A 309 -2.676 -8.176 -16.775 1.00 25.00 H new ATOM 222 N GLU A 310 1.594 -8.538 -14.837 1.00 25.00 N ATOM 223 CA GLU A 310 2.995 -8.347 -14.468 1.00 25.00 C ATOM 224 C GLU A 310 3.626 -9.588 -13.883 1.00 25.00 C ATOM 225 O GLU A 310 4.801 -9.852 -14.092 1.00 25.00 O ATOM 226 CB GLU A 310 3.084 -7.253 -13.434 1.00 25.00 C ATOM 227 CG GLU A 310 4.246 -6.288 -13.655 1.00 25.00 C ATOM 228 CD GLU A 310 4.254 -5.135 -12.660 1.00 25.00 C ATOM 229 OE1 GLU A 310 3.445 -5.140 -11.704 1.00 25.00 O ATOM 230 OE2 GLU A 310 5.068 -4.201 -12.838 1.00 25.00 O ATOM 0 H GLU A 310 0.925 -8.036 -14.253 1.00 25.00 H new ATOM 0 HA GLU A 310 3.532 -8.094 -15.382 1.00 25.00 H new ATOM 0 HB2 GLU A 310 2.151 -6.689 -13.434 1.00 25.00 H new ATOM 0 HB3 GLU A 310 3.183 -7.706 -12.447 1.00 25.00 H new ATOM 0 HG2 GLU A 310 5.186 -6.835 -13.578 1.00 25.00 H new ATOM 0 HG3 GLU A 310 4.192 -5.888 -14.667 1.00 25.00 H new ATOM 237 N ILE A 311 2.828 -10.355 -13.155 1.00 25.00 N ATOM 238 CA ILE A 311 3.310 -11.589 -12.542 1.00 25.00 C ATOM 239 C ILE A 311 3.736 -12.526 -13.668 1.00 25.00 C ATOM 240 O ILE A 311 4.693 -13.282 -13.531 1.00 25.00 O ATOM 241 CB ILE A 311 2.206 -12.240 -11.646 1.00 25.00 C ATOM 242 CG1 ILE A 311 1.763 -11.259 -10.530 1.00 25.00 C ATOM 243 CG2 ILE A 311 2.702 -13.574 -11.028 1.00 25.00 C ATOM 244 CD1 ILE A 311 2.874 -10.793 -9.548 1.00 25.00 C ATOM 0 H ILE A 311 1.846 -10.148 -12.973 1.00 25.00 H new ATOM 0 HA ILE A 311 4.157 -11.382 -11.888 1.00 25.00 H new ATOM 0 HB ILE A 311 1.346 -12.460 -12.279 1.00 25.00 H new ATOM 0 HG12 ILE A 311 1.329 -10.377 -11.001 1.00 25.00 H new ATOM 0 HG13 ILE A 311 0.970 -11.733 -9.951 1.00 25.00 H new ATOM 0 HG21 ILE A 311 1.914 -14.004 -10.410 1.00 25.00 H new ATOM 0 HG22 ILE A 311 2.959 -14.271 -11.826 1.00 25.00 H new ATOM 0 HG23 ILE A 311 3.582 -13.385 -10.414 1.00 25.00 H new ATOM 0 HD11 ILE A 311 2.447 -10.111 -8.813 1.00 25.00 H new ATOM 0 HD12 ILE A 311 3.295 -11.659 -9.038 1.00 25.00 H new ATOM 0 HD13 ILE A 311 3.660 -10.282 -10.104 1.00 25.00 H new ATOM 256 N LYS A 312 3.035 -12.449 -14.791 1.00 25.00 N ATOM 257 CA LYS A 312 3.365 -13.236 -15.957 1.00 25.00 C ATOM 258 C LYS A 312 4.703 -12.849 -16.546 1.00 25.00 C ATOM 259 O LYS A 312 5.557 -13.696 -16.755 1.00 25.00 O ATOM 260 CB LYS A 312 2.305 -12.988 -17.015 1.00 25.00 C ATOM 261 CG LYS A 312 1.825 -14.205 -17.640 1.00 25.00 C ATOM 262 CD LYS A 312 1.413 -13.948 -19.100 1.00 25.00 C ATOM 263 CE LYS A 312 2.538 -14.287 -20.116 1.00 25.00 C ATOM 264 NZ LYS A 312 3.804 -13.463 -19.989 1.00 25.00 N ATOM 0 H LYS A 312 2.226 -11.840 -14.913 1.00 25.00 H new ATOM 0 HA LYS A 312 3.410 -14.282 -15.654 1.00 25.00 H new ATOM 0 HB2 LYS A 312 1.464 -12.464 -16.561 1.00 25.00 H new ATOM 0 HB3 LYS A 312 2.714 -12.330 -17.782 1.00 25.00 H new ATOM 0 HG2 LYS A 312 2.604 -14.967 -17.607 1.00 25.00 H new ATOM 0 HG3 LYS A 312 0.974 -14.594 -17.081 1.00 25.00 H new ATOM 0 HD2 LYS A 312 0.530 -14.543 -19.333 1.00 25.00 H new ATOM 0 HD3 LYS A 312 1.132 -12.901 -19.214 1.00 25.00 H new ATOM 0 HE2 LYS A 312 2.798 -15.340 -20.005 1.00 25.00 H new ATOM 0 HE3 LYS A 312 2.143 -14.161 -21.124 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 4.531 -13.843 -20.628 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 3.602 -12.475 -20.243 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 4.149 -13.505 -19.009 1.00 25.00 H new ATOM 278 N GLU A 313 4.869 -11.565 -16.832 1.00 25.00 N ATOM 279 CA GLU A 313 6.081 -11.105 -17.501 1.00 25.00 C ATOM 280 C GLU A 313 7.308 -11.356 -16.631 1.00 25.00 C ATOM 281 O GLU A 313 8.328 -11.842 -17.093 1.00 25.00 O ATOM 282 CB GLU A 313 5.993 -9.631 -17.867 1.00 25.00 C ATOM 283 CG GLU A 313 4.690 -9.255 -18.535 1.00 25.00 C ATOM 284 CD GLU A 313 4.257 -10.192 -19.660 1.00 25.00 C ATOM 285 OE1 GLU A 313 5.042 -10.443 -20.584 1.00 25.00 O ATOM 286 OE2 GLU A 313 3.100 -10.674 -19.610 1.00 25.00 O ATOM 0 H GLU A 313 4.193 -10.833 -16.616 1.00 25.00 H new ATOM 0 HA GLU A 313 6.179 -11.677 -18.424 1.00 25.00 H new ATOM 0 HB2 GLU A 313 6.116 -9.032 -16.965 1.00 25.00 H new ATOM 0 HB3 GLU A 313 6.819 -9.379 -18.532 1.00 25.00 H new ATOM 0 HG2 GLU A 313 3.904 -9.229 -17.780 1.00 25.00 H new ATOM 0 HG3 GLU A 313 4.781 -8.245 -18.936 1.00 25.00 H new ATOM 293 N LEU A 314 7.193 -11.026 -15.352 1.00 25.00 N ATOM 294 CA LEU A 314 8.290 -11.182 -14.413 1.00 25.00 C ATOM 295 C LEU A 314 8.598 -12.655 -14.150 1.00 25.00 C ATOM 296 O LEU A 314 9.744 -13.024 -13.917 1.00 25.00 O ATOM 297 CB LEU A 314 7.911 -10.479 -13.108 1.00 25.00 C ATOM 298 CG LEU A 314 8.966 -10.490 -11.998 1.00 25.00 C ATOM 299 CD1 LEU A 314 10.265 -9.795 -12.424 1.00 25.00 C ATOM 300 CD2 LEU A 314 8.398 -9.809 -10.752 1.00 25.00 C ATOM 0 H LEU A 314 6.341 -10.645 -14.940 1.00 25.00 H new ATOM 0 HA LEU A 314 9.189 -10.736 -14.838 1.00 25.00 H new ATOM 0 HB2 LEU A 314 7.667 -9.442 -13.337 1.00 25.00 H new ATOM 0 HB3 LEU A 314 7.003 -10.942 -12.721 1.00 25.00 H new ATOM 0 HG LEU A 314 9.211 -11.530 -11.782 1.00 25.00 H new ATOM 0 HD11 LEU A 314 10.982 -9.829 -11.603 1.00 25.00 H new ATOM 0 HD12 LEU A 314 10.683 -10.305 -13.292 1.00 25.00 H new ATOM 0 HD13 LEU A 314 10.055 -8.756 -12.680 1.00 25.00 H new ATOM 0 HD21 LEU A 314 9.147 -9.816 -9.960 1.00 25.00 H new ATOM 0 HD22 LEU A 314 8.131 -8.779 -10.990 1.00 25.00 H new ATOM 0 HD23 LEU A 314 7.511 -10.346 -10.416 1.00 25.00 H new ATOM 312 N GLY A 315 7.575 -13.497 -14.194 1.00 25.00 N ATOM 313 CA GLY A 315 7.769 -14.914 -13.944 1.00 25.00 C ATOM 314 C GLY A 315 8.597 -15.580 -15.024 1.00 25.00 C ATOM 315 O GLY A 315 9.357 -16.505 -14.751 1.00 25.00 O ATOM 0 H GLY A 315 6.613 -13.226 -14.398 1.00 25.00 H new ATOM 0 HA2 GLY A 315 8.259 -15.047 -12.980 1.00 25.00 H new ATOM 0 HA3 GLY A 315 6.798 -15.405 -13.878 1.00 25.00 H new ATOM 319 N GLU A 316 8.444 -15.119 -16.251 1.00 25.00 N ATOM 320 CA GLU A 316 9.202 -15.654 -17.381 1.00 25.00 C ATOM 321 C GLU A 316 10.608 -15.042 -17.432 1.00 25.00 C ATOM 322 O GLU A 316 11.572 -15.698 -17.804 1.00 25.00 O ATOM 323 CB GLU A 316 8.420 -15.379 -18.665 1.00 25.00 C ATOM 324 CG GLU A 316 7.143 -16.236 -18.739 1.00 25.00 C ATOM 325 CD GLU A 316 6.089 -15.697 -19.695 1.00 25.00 C ATOM 326 OE1 GLU A 316 6.342 -14.715 -20.423 1.00 25.00 O ATOM 327 OE2 GLU A 316 4.971 -16.260 -19.700 1.00 25.00 O ATOM 0 H GLU A 316 7.798 -14.369 -16.498 1.00 25.00 H new ATOM 0 HA GLU A 316 9.332 -16.730 -17.267 1.00 25.00 H new ATOM 0 HB2 GLU A 316 8.155 -14.323 -18.712 1.00 25.00 H new ATOM 0 HB3 GLU A 316 9.051 -15.588 -19.529 1.00 25.00 H new ATOM 0 HG2 GLU A 316 7.413 -17.247 -19.045 1.00 25.00 H new ATOM 0 HG3 GLU A 316 6.710 -16.310 -17.742 1.00 25.00 H new ATOM 334 N LEU A 317 10.708 -13.779 -17.037 1.00 25.00 N ATOM 335 CA LEU A 317 11.972 -13.022 -17.051 1.00 25.00 C ATOM 336 C LEU A 317 12.971 -13.419 -15.946 1.00 25.00 C ATOM 337 O LEU A 317 14.045 -12.838 -15.836 1.00 25.00 O ATOM 338 CB LEU A 317 11.628 -11.527 -16.917 1.00 25.00 C ATOM 339 CG LEU A 317 12.657 -10.465 -17.351 1.00 25.00 C ATOM 340 CD1 LEU A 317 12.984 -10.566 -18.842 1.00 25.00 C ATOM 341 CD2 LEU A 317 12.091 -9.075 -17.041 1.00 25.00 C ATOM 0 H LEU A 317 9.913 -13.239 -16.694 1.00 25.00 H new ATOM 0 HA LEU A 317 12.473 -13.253 -17.991 1.00 25.00 H new ATOM 0 HB2 LEU A 317 10.717 -11.350 -17.488 1.00 25.00 H new ATOM 0 HB3 LEU A 317 11.389 -11.340 -15.870 1.00 25.00 H new ATOM 0 HG LEU A 317 13.582 -10.636 -16.800 1.00 25.00 H new ATOM 0 HD11 LEU A 317 13.713 -9.800 -19.107 1.00 25.00 H new ATOM 0 HD12 LEU A 317 13.398 -11.551 -19.058 1.00 25.00 H new ATOM 0 HD13 LEU A 317 12.075 -10.419 -19.425 1.00 25.00 H new ATOM 0 HD21 LEU A 317 12.810 -8.314 -17.344 1.00 25.00 H new ATOM 0 HD22 LEU A 317 11.159 -8.932 -17.588 1.00 25.00 H new ATOM 0 HD23 LEU A 317 11.901 -8.990 -15.971 1.00 25.00 H new ATOM 353 N ARG A 318 12.615 -14.390 -15.113 1.00 25.00 N ATOM 354 CA ARG A 318 13.452 -14.763 -13.958 1.00 25.00 C ATOM 355 C ARG A 318 14.907 -15.126 -14.263 1.00 25.00 C ATOM 356 O ARG A 318 15.797 -14.723 -13.520 1.00 25.00 O ATOM 357 CB ARG A 318 12.838 -15.952 -13.219 1.00 25.00 C ATOM 358 CG ARG A 318 11.562 -15.642 -12.469 1.00 25.00 C ATOM 359 CD ARG A 318 11.025 -16.920 -11.844 1.00 25.00 C ATOM 360 NE ARG A 318 9.718 -16.722 -11.193 1.00 25.00 N ATOM 361 CZ ARG A 318 8.606 -17.396 -11.475 1.00 25.00 C ATOM 362 NH1 ARG A 318 8.552 -18.322 -12.401 1.00 25.00 N ATOM 363 NH2 ARG A 318 7.518 -17.130 -10.805 1.00 25.00 N ATOM 0 H ARG A 318 11.759 -14.936 -15.207 1.00 25.00 H new ATOM 0 HA ARG A 318 13.474 -13.851 -13.361 1.00 25.00 H new ATOM 0 HB2 ARG A 318 12.636 -16.745 -13.939 1.00 25.00 H new ATOM 0 HB3 ARG A 318 13.572 -16.342 -12.514 1.00 25.00 H new ATOM 0 HG2 ARG A 318 11.752 -14.897 -11.696 1.00 25.00 H new ATOM 0 HG3 ARG A 318 10.822 -15.216 -13.147 1.00 25.00 H new ATOM 0 HD2 ARG A 318 10.932 -17.686 -12.614 1.00 25.00 H new ATOM 0 HD3 ARG A 318 11.741 -17.291 -11.110 1.00 25.00 H new ATOM 0 HE ARG A 318 9.661 -16.009 -10.466 1.00 25.00 H new ATOM 0 HH11 ARG A 318 9.386 -18.552 -12.941 1.00 25.00 H new ATOM 0 HH12 ARG A 318 7.676 -18.812 -12.582 1.00 25.00 H new ATOM 0 HH21 ARG A 318 7.529 -16.415 -10.078 1.00 25.00 H new ATOM 0 HH22 ARG A 318 6.657 -17.637 -11.009 1.00 25.00 H new ATOM 377 N LYS A 319 15.155 -15.905 -15.308 1.00 25.00 N ATOM 378 CA LYS A 319 16.508 -16.360 -15.617 1.00 25.00 C ATOM 379 C LYS A 319 16.758 -16.548 -17.105 1.00 25.00 C ATOM 380 O LYS A 319 15.832 -16.554 -17.905 1.00 25.00 O ATOM 381 CB LYS A 319 16.683 -17.714 -14.944 1.00 25.00 C ATOM 382 CG LYS A 319 15.597 -18.705 -15.385 1.00 25.00 C ATOM 383 CD LYS A 319 15.836 -20.031 -14.797 1.00 25.00 C ATOM 384 CE LYS A 319 17.122 -20.604 -15.378 1.00 25.00 C ATOM 385 NZ LYS A 319 17.564 -21.940 -14.852 1.00 25.00 N ATOM 0 H LYS A 319 14.440 -16.235 -15.956 1.00 25.00 H new ATOM 0 HA LYS A 319 17.207 -15.601 -15.266 1.00 25.00 H new ATOM 0 HB2 LYS A 319 17.666 -18.118 -15.187 1.00 25.00 H new ATOM 0 HB3 LYS A 319 16.647 -17.591 -13.862 1.00 25.00 H new ATOM 0 HG2 LYS A 319 14.617 -18.338 -15.081 1.00 25.00 H new ATOM 0 HG3 LYS A 319 15.586 -18.780 -16.472 1.00 25.00 H new ATOM 0 HD2 LYS A 319 15.914 -19.954 -13.713 1.00 25.00 H new ATOM 0 HD3 LYS A 319 14.998 -20.694 -15.010 1.00 25.00 H new ATOM 0 HE2 LYS A 319 17.000 -20.687 -16.458 1.00 25.00 H new ATOM 0 HE3 LYS A 319 17.924 -19.887 -15.202 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 18.156 -22.415 -15.563 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 18.113 -21.805 -13.979 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 16.730 -22.527 -14.649 1.00 25.00 H new ATOM 399 N GLU A 320 18.021 -16.742 -17.451 1.00 25.00 N ATOM 400 CA GLU A 320 18.408 -17.106 -18.810 1.00 25.00 C ATOM 401 C GLU A 320 17.911 -18.511 -19.092 1.00 25.00 C ATOM 402 O GLU A 320 17.951 -19.364 -18.216 1.00 25.00 O ATOM 403 CB GLU A 320 19.927 -17.137 -18.945 1.00 25.00 C ATOM 404 CG GLU A 320 20.600 -15.789 -18.962 1.00 25.00 C ATOM 405 CD GLU A 320 22.076 -15.924 -19.303 1.00 25.00 C ATOM 406 OE1 GLU A 320 22.384 -16.440 -20.404 1.00 25.00 O ATOM 407 OE2 GLU A 320 22.923 -15.528 -18.478 1.00 25.00 O ATOM 0 H GLU A 320 18.804 -16.653 -16.804 1.00 25.00 H new ATOM 0 HA GLU A 320 17.985 -16.375 -19.499 1.00 25.00 H new ATOM 0 HB2 GLU A 320 20.337 -17.719 -18.119 1.00 25.00 H new ATOM 0 HB3 GLU A 320 20.183 -17.664 -19.864 1.00 25.00 H new ATOM 0 HG2 GLU A 320 20.112 -15.143 -19.692 1.00 25.00 H new ATOM 0 HG3 GLU A 320 20.490 -15.311 -17.989 1.00 25.00 H new ATOM 414 N PRO A 321 17.473 -18.788 -20.332 1.00 25.00 N ATOM 415 CA PRO A 321 17.175 -20.190 -20.641 1.00 25.00 C ATOM 416 C PRO A 321 18.469 -20.969 -20.912 1.00 25.00 C ATOM 417 O PRO A 321 18.442 -22.157 -21.219 1.00 25.00 O ATOM 418 CB PRO A 321 16.329 -20.079 -21.907 1.00 25.00 C ATOM 419 CG PRO A 321 16.905 -18.900 -22.610 1.00 25.00 C ATOM 420 CD PRO A 321 17.253 -17.919 -21.509 1.00 25.00 C ATOM 0 HA PRO A 321 16.674 -20.721 -19.832 1.00 25.00 H new ATOM 0 HB2 PRO A 321 16.397 -20.981 -22.515 1.00 25.00 H new ATOM 0 HB3 PRO A 321 15.275 -19.931 -21.673 1.00 25.00 H new ATOM 0 HG2 PRO A 321 17.788 -19.176 -23.186 1.00 25.00 H new ATOM 0 HG3 PRO A 321 16.189 -18.470 -23.311 1.00 25.00 H new ATOM 0 HD2 PRO A 321 18.144 -17.340 -21.753 1.00 25.00 H new ATOM 0 HD3 PRO A 321 16.447 -17.206 -21.337 1.00 25.00 H new ATOM 428 N SER A 322 19.595 -20.270 -20.815 1.00 25.00 N ATOM 429 CA SER A 322 20.912 -20.841 -21.116 1.00 25.00 C ATOM 430 C SER A 322 21.414 -21.898 -20.125 1.00 25.00 C ATOM 431 O SER A 322 22.253 -22.732 -20.477 1.00 25.00 O ATOM 432 CB SER A 322 21.938 -19.709 -21.147 1.00 25.00 C ATOM 433 OG SER A 322 21.431 -18.593 -21.862 1.00 25.00 O ATOM 0 H SER A 322 19.625 -19.292 -20.526 1.00 25.00 H new ATOM 0 HA SER A 322 20.796 -21.349 -22.073 1.00 25.00 H new ATOM 0 HB2 SER A 322 22.190 -19.411 -20.129 1.00 25.00 H new ATOM 0 HB3 SER A 322 22.859 -20.059 -21.614 1.00 25.00 H new ATOM 0 HG SER A 322 21.714 -17.765 -21.420 1.00 25.00 H new ATOM 439 N LEU A 323 20.920 -21.845 -18.895 1.00 25.00 N ATOM 440 CA LEU A 323 21.340 -22.749 -17.820 1.00 25.00 C ATOM 441 C LEU A 323 20.240 -22.690 -16.781 1.00 25.00 C ATOM 442 O LEU A 323 19.423 -21.774 -16.944 1.00 25.00 O ATOM 443 CB LEU A 323 22.689 -22.313 -17.205 1.00 25.00 C ATOM 444 CG LEU A 323 22.749 -21.066 -16.294 1.00 25.00 C ATOM 445 CD1 LEU A 323 24.139 -21.008 -15.663 1.00 25.00 C ATOM 446 CD2 LEU A 323 22.477 -19.753 -17.030 1.00 25.00 C ATOM 447 OXT LEU A 323 20.185 -23.504 -15.837 1.00 25.00 O ATOM 0 H LEU A 323 20.211 -21.170 -18.608 1.00 25.00 H new ATOM 0 HA LEU A 323 21.491 -23.760 -18.198 1.00 25.00 H new ATOM 0 HB2 LEU A 323 23.071 -23.156 -16.629 1.00 25.00 H new ATOM 0 HB3 LEU A 323 23.384 -22.148 -18.028 1.00 25.00 H new ATOM 0 HG LEU A 323 21.962 -21.168 -15.547 1.00 25.00 H new ATOM 0 HD11 LEU A 323 24.208 -20.135 -15.014 1.00 25.00 H new ATOM 0 HD12 LEU A 323 24.310 -21.911 -15.077 1.00 25.00 H new ATOM 0 HD13 LEU A 323 24.892 -20.937 -16.448 1.00 25.00 H new ATOM 0 HD21 LEU A 323 22.536 -18.923 -16.326 1.00 25.00 H new ATOM 0 HD22 LEU A 323 23.219 -19.616 -17.816 1.00 25.00 H new ATOM 0 HD23 LEU A 323 21.481 -19.783 -17.473 1.00 25.00 H new TER 459 LEU A 323