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 -31:sc= 0.242 USER MOD Single : A 299 ASN : amide:sc= -0.199 K(o=-0.2,f=-2.6!) 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+ -140:sc= -0.07 (180deg=-0.563) USER MOD Single : A 319 LYS NZ :NH3+ -175:sc= 0.76 (180deg=0.676) USER MOD Single : A 322 SER OG : rot 143:sc= 0.91 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 298 3.535 9.154 -15.878 1.00 25.00 N ATOM 2 CA THR A 298 4.194 8.249 -14.892 1.00 25.00 C ATOM 3 C THR A 298 3.741 6.813 -15.107 1.00 25.00 C ATOM 4 O THR A 298 2.596 6.584 -15.482 1.00 25.00 O ATOM 5 CB THR A 298 3.836 8.682 -13.455 1.00 25.00 C ATOM 6 OG1 THR A 298 2.422 8.863 -13.355 1.00 25.00 O ATOM 7 CG2 THR A 298 4.504 9.999 -13.090 1.00 25.00 C ATOM 0 HA THR A 298 5.273 8.312 -15.035 1.00 25.00 H new ATOM 0 HB THR A 298 4.184 7.904 -12.776 1.00 25.00 H new ATOM 0 HG1 THR A 298 2.069 9.166 -14.218 1.00 25.00 H new ATOM 0 HG21 THR A 298 4.231 10.275 -12.072 1.00 25.00 H new ATOM 0 HG22 THR A 298 5.586 9.889 -13.159 1.00 25.00 H new ATOM 0 HG23 THR A 298 4.174 10.777 -13.778 1.00 25.00 H new ATOM 17 N ASN A 299 4.622 5.840 -14.887 1.00 25.00 N ATOM 18 CA ASN A 299 4.304 4.438 -15.156 1.00 25.00 C ATOM 19 C ASN A 299 3.701 3.788 -13.913 1.00 25.00 C ATOM 20 O ASN A 299 4.359 3.038 -13.193 1.00 25.00 O ATOM 21 CB ASN A 299 5.564 3.685 -15.602 1.00 25.00 C ATOM 22 CG ASN A 299 5.247 2.319 -16.156 1.00 25.00 C ATOM 23 OD1 ASN A 299 4.102 1.909 -16.185 1.00 25.00 O ATOM 24 ND2 ASN A 299 6.253 1.618 -16.604 1.00 25.00 N ATOM 0 H ASN A 299 5.562 5.996 -14.523 1.00 25.00 H new ATOM 0 HA ASN A 299 3.571 4.390 -15.961 1.00 25.00 H new ATOM 0 HB2 ASN A 299 6.085 4.270 -16.360 1.00 25.00 H new ATOM 0 HB3 ASN A 299 6.243 3.583 -14.755 1.00 25.00 H new ATOM 0 HD21 ASN A 299 6.093 0.690 -16.997 1.00 25.00 H new ATOM 0 HD22 ASN A 299 7.199 1.998 -16.562 1.00 25.00 H new ATOM 31 N ARG A 300 2.440 4.100 -13.652 1.00 25.00 N ATOM 32 CA ARG A 300 1.697 3.637 -12.570 1.00 25.00 C ATOM 33 C ARG A 300 1.235 2.181 -12.743 1.00 25.00 C ATOM 34 O ARG A 300 0.040 1.910 -12.842 1.00 25.00 O ATOM 35 CB ARG A 300 0.554 4.617 -12.646 1.00 25.00 C ATOM 36 CG ARG A 300 0.824 5.911 -11.915 1.00 25.00 C ATOM 37 CD ARG A 300 -0.454 6.722 -11.646 1.00 25.00 C ATOM 38 NE ARG A 300 -1.097 7.226 -12.875 1.00 25.00 N ATOM 39 CZ ARG A 300 -2.181 8.001 -12.908 1.00 25.00 C ATOM 40 NH1 ARG A 300 -2.793 8.399 -11.819 1.00 25.00 N ATOM 41 NH2 ARG A 300 -2.658 8.382 -14.060 1.00 25.00 N ATOM 0 H ARG A 300 1.905 4.728 -14.252 1.00 25.00 H new ATOM 0 HA ARG A 300 2.228 3.601 -11.619 1.00 25.00 H new ATOM 0 HB2 ARG A 300 0.342 4.837 -13.692 1.00 25.00 H new ATOM 0 HB3 ARG A 300 -0.341 4.153 -12.230 1.00 25.00 H new ATOM 0 HG2 ARG A 300 1.316 5.692 -10.967 1.00 25.00 H new ATOM 0 HG3 ARG A 300 1.516 6.516 -12.501 1.00 25.00 H new ATOM 0 HD2 ARG A 300 -1.164 6.098 -11.103 1.00 25.00 H new ATOM 0 HD3 ARG A 300 -0.211 7.565 -11.000 1.00 25.00 H new ATOM 0 HE ARG A 300 -0.680 6.961 -13.767 1.00 25.00 H new ATOM 0 HH11 ARG A 300 -2.442 8.116 -10.904 1.00 25.00 H new ATOM 0 HH12 ARG A 300 -3.620 8.992 -11.887 1.00 25.00 H new ATOM 0 HH21 ARG A 300 -2.202 8.087 -14.923 1.00 25.00 H new ATOM 0 HH22 ARG A 300 -3.487 8.975 -14.098 1.00 25.00 H new ATOM 55 N ARG A 301 2.178 1.243 -12.768 1.00 25.00 N ATOM 56 CA ARG A 301 1.834 -0.193 -12.918 1.00 25.00 C ATOM 57 C ARG A 301 0.899 -0.721 -11.825 1.00 25.00 C ATOM 58 O ARG A 301 0.282 -1.754 -11.982 1.00 25.00 O ATOM 59 CB ARG A 301 3.074 -1.104 -12.999 1.00 25.00 C ATOM 60 CG ARG A 301 4.185 -0.582 -13.895 1.00 25.00 C ATOM 61 CD ARG A 301 5.068 -1.720 -14.413 1.00 25.00 C ATOM 62 NE ARG A 301 5.721 -2.482 -13.336 1.00 25.00 N ATOM 63 CZ ARG A 301 6.926 -2.249 -12.830 1.00 25.00 C ATOM 64 NH1 ARG A 301 7.681 -1.252 -13.228 1.00 25.00 N ATOM 65 NH2 ARG A 301 7.379 -3.044 -11.909 1.00 25.00 N ATOM 0 H ARG A 301 3.177 1.434 -12.689 1.00 25.00 H new ATOM 0 HA ARG A 301 1.302 -0.232 -13.869 1.00 25.00 H new ATOM 0 HB2 ARG A 301 3.472 -1.245 -11.994 1.00 25.00 H new ATOM 0 HB3 ARG A 301 2.765 -2.085 -13.360 1.00 25.00 H new ATOM 0 HG2 ARG A 301 3.752 -0.044 -14.738 1.00 25.00 H new ATOM 0 HG3 ARG A 301 4.796 0.131 -13.341 1.00 25.00 H new ATOM 0 HD2 ARG A 301 4.461 -2.398 -15.013 1.00 25.00 H new ATOM 0 HD3 ARG A 301 5.832 -1.308 -15.072 1.00 25.00 H new ATOM 0 HE ARG A 301 5.198 -3.263 -12.941 1.00 25.00 H new ATOM 0 HH11 ARG A 301 7.348 -0.618 -13.954 1.00 25.00 H new ATOM 0 HH12 ARG A 301 8.601 -1.111 -12.811 1.00 25.00 H new ATOM 0 HH21 ARG A 301 6.812 -3.829 -11.588 1.00 25.00 H new ATOM 0 HH22 ARG A 301 8.302 -2.884 -11.506 1.00 25.00 H new ATOM 79 N LYS A 302 0.755 0.004 -10.723 1.00 25.00 N ATOM 80 CA LYS A 302 -0.189 -0.391 -9.666 1.00 25.00 C ATOM 81 C LYS A 302 -1.667 -0.228 -10.084 1.00 25.00 C ATOM 82 O LYS A 302 -2.556 -0.334 -9.253 1.00 25.00 O ATOM 83 CB LYS A 302 0.088 0.385 -8.370 1.00 25.00 C ATOM 84 CG LYS A 302 -0.199 1.895 -8.432 1.00 25.00 C ATOM 85 CD LYS A 302 -0.095 2.511 -7.032 1.00 25.00 C ATOM 86 CE LYS A 302 -1.159 1.909 -6.104 1.00 25.00 C ATOM 87 NZ LYS A 302 -1.028 2.378 -4.674 1.00 25.00 N ATOM 0 H LYS A 302 1.271 0.863 -10.531 1.00 25.00 H new ATOM 0 HA LYS A 302 -0.026 -1.454 -9.490 1.00 25.00 H new ATOM 0 HB2 LYS A 302 -0.513 -0.049 -7.571 1.00 25.00 H new ATOM 0 HB3 LYS A 302 1.133 0.242 -8.097 1.00 25.00 H new ATOM 0 HG2 LYS A 302 0.509 2.380 -9.104 1.00 25.00 H new ATOM 0 HG3 LYS A 302 -1.195 2.067 -8.840 1.00 25.00 H new ATOM 0 HD2 LYS A 302 0.899 2.332 -6.621 1.00 25.00 H new ATOM 0 HD3 LYS A 302 -0.225 3.592 -7.092 1.00 25.00 H new ATOM 0 HE2 LYS A 302 -2.149 2.171 -6.477 1.00 25.00 H new ATOM 0 HE3 LYS A 302 -1.085 0.822 -6.132 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 -1.772 1.939 -4.095 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 -0.095 2.106 -4.303 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 -1.126 3.413 -4.638 1.00 25.00 H new ATOM 101 N SER A 303 -1.905 0.017 -11.371 1.00 25.00 N ATOM 102 CA SER A 303 -3.253 0.133 -11.948 1.00 25.00 C ATOM 103 C SER A 303 -4.123 -1.084 -11.632 1.00 25.00 C ATOM 104 O SER A 303 -5.323 -0.947 -11.436 1.00 25.00 O ATOM 105 CB SER A 303 -3.130 0.279 -13.459 1.00 25.00 C ATOM 106 OG SER A 303 -4.389 0.172 -14.101 1.00 25.00 O ATOM 0 H SER A 303 -1.160 0.143 -12.056 1.00 25.00 H new ATOM 0 HA SER A 303 -3.733 1.007 -11.507 1.00 25.00 H new ATOM 0 HB2 SER A 303 -2.682 1.244 -13.696 1.00 25.00 H new ATOM 0 HB3 SER A 303 -2.458 -0.488 -13.845 1.00 25.00 H new ATOM 0 HG SER A 303 -4.272 0.272 -15.069 1.00 25.00 H new ATOM 112 N GLY A 304 -3.510 -2.260 -11.562 1.00 25.00 N ATOM 113 CA GLY A 304 -4.212 -3.444 -11.065 1.00 25.00 C ATOM 114 C GLY A 304 -4.450 -4.691 -11.900 1.00 25.00 C ATOM 115 O GLY A 304 -4.555 -5.775 -11.332 1.00 25.00 O ATOM 0 H GLY A 304 -2.542 -2.422 -11.838 1.00 25.00 H new ATOM 0 HA2 GLY A 304 -3.673 -3.769 -10.175 1.00 25.00 H new ATOM 0 HA3 GLY A 304 -5.194 -3.103 -10.736 1.00 25.00 H new ATOM 119 N LYS A 305 -4.490 -4.602 -13.227 1.00 25.00 N ATOM 120 CA LYS A 305 -4.630 -5.820 -14.062 1.00 25.00 C ATOM 121 C LYS A 305 -3.356 -6.660 -13.936 1.00 25.00 C ATOM 122 O LYS A 305 -3.287 -7.815 -14.325 1.00 25.00 O ATOM 123 CB LYS A 305 -4.884 -5.467 -15.539 1.00 25.00 C ATOM 124 CG LYS A 305 -3.768 -4.673 -16.224 1.00 25.00 C ATOM 125 CD LYS A 305 -4.120 -4.405 -17.627 1.00 25.00 C ATOM 126 CE LYS A 305 -5.098 -3.311 -17.495 1.00 25.00 C ATOM 127 NZ LYS A 305 -5.510 -2.672 -18.801 1.00 25.00 N ATOM 0 H LYS A 305 -4.430 -3.728 -13.749 1.00 25.00 H new ATOM 0 HA LYS A 305 -5.491 -6.387 -13.707 1.00 25.00 H new ATOM 0 HB2 LYS A 305 -5.043 -6.391 -16.094 1.00 25.00 H new ATOM 0 HB3 LYS A 305 -5.808 -4.893 -15.604 1.00 25.00 H new ATOM 0 HG2 LYS A 305 -3.605 -3.733 -15.697 1.00 25.00 H new ATOM 0 HG3 LYS A 305 -2.833 -5.231 -16.177 1.00 25.00 H new ATOM 0 HD2 LYS A 305 -3.252 -4.107 -18.215 1.00 25.00 H new ATOM 0 HD3 LYS A 305 -4.550 -5.280 -18.114 1.00 25.00 H new ATOM 0 HE2 LYS A 305 -5.988 -3.696 -16.998 1.00 25.00 H new ATOM 0 HE3 LYS A 305 -4.678 -2.542 -16.847 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 -6.198 -1.915 -18.615 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 -4.673 -2.272 -19.271 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 -5.943 -3.389 -19.417 1.00 25.00 H new ATOM 141 N TYR A 306 -2.356 -6.006 -13.384 1.00 25.00 N ATOM 142 CA TYR A 306 -0.999 -6.482 -13.223 1.00 25.00 C ATOM 143 C TYR A 306 -0.884 -7.739 -12.377 1.00 25.00 C ATOM 144 O TYR A 306 0.078 -8.476 -12.513 1.00 25.00 O ATOM 145 CB TYR A 306 -0.187 -5.311 -12.659 1.00 25.00 C ATOM 146 CG TYR A 306 -0.101 -4.178 -13.683 1.00 25.00 C ATOM 147 CD1 TYR A 306 -1.242 -3.413 -14.014 1.00 25.00 C ATOM 148 CD2 TYR A 306 1.107 -3.873 -14.340 1.00 25.00 C ATOM 149 CE1 TYR A 306 -1.200 -2.428 -14.981 1.00 25.00 C ATOM 150 CE2 TYR A 306 1.158 -2.873 -15.335 1.00 25.00 C ATOM 151 CZ TYR A 306 -0.001 -2.156 -15.653 1.00 25.00 C ATOM 152 OH TYR A 306 0.029 -1.179 -16.612 1.00 25.00 O ATOM 0 H TYR A 306 -2.478 -5.065 -13.011 1.00 25.00 H new ATOM 0 HA TYR A 306 -0.605 -6.798 -14.189 1.00 25.00 H new ATOM 0 HB2 TYR A 306 -0.651 -4.947 -11.743 1.00 25.00 H new ATOM 0 HB3 TYR A 306 0.815 -5.649 -12.396 1.00 25.00 H new ATOM 0 HD1 TYR A 306 -2.171 -3.604 -13.497 1.00 25.00 H new ATOM 0 HD2 TYR A 306 2.006 -4.411 -14.079 1.00 25.00 H new ATOM 0 HE1 TYR A 306 -2.092 -1.867 -15.219 1.00 25.00 H new ATOM 0 HE2 TYR A 306 2.085 -2.663 -15.847 1.00 25.00 H new ATOM 0 HH TYR A 306 0.934 -1.112 -16.983 1.00 25.00 H new ATOM 162 N LYS A 307 -1.874 -8.017 -11.537 1.00 25.00 N ATOM 163 CA LYS A 307 -1.891 -9.291 -10.815 1.00 25.00 C ATOM 164 C LYS A 307 -1.897 -10.446 -11.816 1.00 25.00 C ATOM 165 O LYS A 307 -1.230 -11.437 -11.612 1.00 25.00 O ATOM 166 CB LYS A 307 -3.107 -9.387 -9.886 1.00 25.00 C ATOM 167 CG LYS A 307 -2.995 -8.537 -8.614 1.00 25.00 C ATOM 168 CD LYS A 307 -1.827 -8.943 -7.773 1.00 25.00 C ATOM 169 CE LYS A 307 -2.263 -8.756 -6.357 1.00 25.00 C ATOM 170 NZ LYS A 307 -1.504 -9.628 -5.383 1.00 25.00 N ATOM 0 H LYS A 307 -2.659 -7.397 -11.339 1.00 25.00 H new ATOM 0 HA LYS A 307 -0.995 -9.350 -10.197 1.00 25.00 H new ATOM 0 HB2 LYS A 307 -3.996 -9.081 -10.437 1.00 25.00 H new ATOM 0 HB3 LYS A 307 -3.251 -10.429 -9.602 1.00 25.00 H new ATOM 0 HG2 LYS A 307 -2.898 -7.486 -8.887 1.00 25.00 H new ATOM 0 HG3 LYS A 307 -3.912 -8.632 -8.032 1.00 25.00 H new ATOM 0 HD2 LYS A 307 -1.549 -9.980 -7.963 1.00 25.00 H new ATOM 0 HD3 LYS A 307 -0.952 -8.332 -7.997 1.00 25.00 H new ATOM 0 HE2 LYS A 307 -2.132 -7.711 -6.078 1.00 25.00 H new ATOM 0 HE3 LYS A 307 -3.328 -8.976 -6.279 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 -1.851 -9.454 -4.418 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 -1.648 -10.629 -5.627 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 -0.490 -9.402 -5.433 1.00 25.00 H new ATOM 184 N LYS A 308 -2.648 -10.309 -12.901 1.00 25.00 N ATOM 185 CA LYS A 308 -2.601 -11.284 -13.994 1.00 25.00 C ATOM 186 C LYS A 308 -1.478 -11.028 -15.004 1.00 25.00 C ATOM 187 O LYS A 308 -0.897 -11.962 -15.514 1.00 25.00 O ATOM 188 CB LYS A 308 -3.943 -11.310 -14.737 1.00 25.00 C ATOM 189 CG LYS A 308 -5.166 -11.298 -13.821 1.00 25.00 C ATOM 190 CD LYS A 308 -5.200 -12.539 -12.946 1.00 25.00 C ATOM 191 CE LYS A 308 -5.376 -13.783 -13.825 1.00 25.00 C ATOM 192 NZ LYS A 308 -5.160 -15.077 -13.075 1.00 25.00 N ATOM 0 H LYS A 308 -3.297 -9.536 -13.052 1.00 25.00 H new ATOM 0 HA LYS A 308 -2.396 -12.246 -13.525 1.00 25.00 H new ATOM 0 HB2 LYS A 308 -3.993 -10.449 -15.403 1.00 25.00 H new ATOM 0 HB3 LYS A 308 -3.981 -12.201 -15.364 1.00 25.00 H new ATOM 0 HG2 LYS A 308 -5.147 -10.407 -13.194 1.00 25.00 H new ATOM 0 HG3 LYS A 308 -6.074 -11.246 -14.421 1.00 25.00 H new ATOM 0 HD2 LYS A 308 -4.278 -12.616 -12.370 1.00 25.00 H new ATOM 0 HD3 LYS A 308 -6.018 -12.469 -12.229 1.00 25.00 H new ATOM 0 HE2 LYS A 308 -6.380 -13.780 -14.250 1.00 25.00 H new ATOM 0 HE3 LYS A 308 -4.676 -13.733 -14.659 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 -5.293 -15.880 -13.723 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 -4.194 -15.098 -12.691 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 -5.844 -15.145 -12.295 1.00 25.00 H new ATOM 206 N VAL A 309 -1.216 -9.760 -15.301 1.00 25.00 N ATOM 207 CA VAL A 309 -0.263 -9.378 -16.359 1.00 25.00 C ATOM 208 C VAL A 309 1.216 -9.318 -15.939 1.00 25.00 C ATOM 209 O VAL A 309 2.035 -10.040 -16.478 1.00 25.00 O ATOM 210 CB VAL A 309 -0.663 -7.977 -16.950 1.00 25.00 C ATOM 211 CG1 VAL A 309 0.316 -7.507 -18.030 1.00 25.00 C ATOM 212 CG2 VAL A 309 -2.085 -8.029 -17.536 1.00 25.00 C ATOM 0 H VAL A 309 -1.649 -8.968 -14.825 1.00 25.00 H new ATOM 0 HA VAL A 309 -0.335 -10.180 -17.094 1.00 25.00 H new ATOM 0 HB VAL A 309 -0.628 -7.262 -16.128 1.00 25.00 H new ATOM 0 HG11 VAL A 309 0.000 -6.535 -18.409 1.00 25.00 H new ATOM 0 HG12 VAL A 309 1.315 -7.422 -17.603 1.00 25.00 H new ATOM 0 HG13 VAL A 309 0.330 -8.228 -18.847 1.00 25.00 H new ATOM 0 HG21 VAL A 309 -2.347 -7.052 -17.941 1.00 25.00 H new ATOM 0 HG22 VAL A 309 -2.124 -8.774 -18.331 1.00 25.00 H new ATOM 0 HG23 VAL A 309 -2.792 -8.298 -16.751 1.00 25.00 H new ATOM 222 N GLU A 310 1.556 -8.456 -14.993 1.00 25.00 N ATOM 223 CA GLU A 310 2.958 -8.239 -14.619 1.00 25.00 C ATOM 224 C GLU A 310 3.551 -9.468 -13.970 1.00 25.00 C ATOM 225 O GLU A 310 4.705 -9.808 -14.181 1.00 25.00 O ATOM 226 CB GLU A 310 3.045 -7.085 -13.630 1.00 25.00 C ATOM 227 CG GLU A 310 4.269 -6.201 -13.798 1.00 25.00 C ATOM 228 CD GLU A 310 4.458 -5.234 -12.632 1.00 25.00 C ATOM 229 OE1 GLU A 310 3.519 -4.477 -12.312 1.00 25.00 O ATOM 230 OE2 GLU A 310 5.558 -5.202 -12.045 1.00 25.00 O ATOM 0 H GLU A 310 0.887 -7.893 -14.467 1.00 25.00 H new ATOM 0 HA GLU A 310 3.516 -8.015 -15.528 1.00 25.00 H new ATOM 0 HB2 GLU A 310 2.151 -6.469 -13.731 1.00 25.00 H new ATOM 0 HB3 GLU A 310 3.041 -7.490 -12.618 1.00 25.00 H new ATOM 0 HG2 GLU A 310 5.155 -6.828 -13.893 1.00 25.00 H new ATOM 0 HG3 GLU A 310 4.179 -5.634 -14.725 1.00 25.00 H new ATOM 237 N ILE A 311 2.734 -10.144 -13.177 1.00 25.00 N ATOM 238 CA ILE A 311 3.164 -11.357 -12.494 1.00 25.00 C ATOM 239 C ILE A 311 3.441 -12.422 -13.552 1.00 25.00 C ATOM 240 O ILE A 311 4.318 -13.260 -13.372 1.00 25.00 O ATOM 241 CB ILE A 311 2.087 -11.807 -11.450 1.00 25.00 C ATOM 242 CG1 ILE A 311 2.392 -11.193 -10.065 1.00 25.00 C ATOM 243 CG2 ILE A 311 2.013 -13.346 -11.296 1.00 25.00 C ATOM 244 CD1 ILE A 311 2.201 -9.669 -9.962 1.00 25.00 C ATOM 0 H ILE A 311 1.768 -9.874 -12.990 1.00 25.00 H new ATOM 0 HA ILE A 311 4.079 -11.183 -11.928 1.00 25.00 H new ATOM 0 HB ILE A 311 1.128 -11.453 -11.827 1.00 25.00 H new ATOM 0 HG12 ILE A 311 1.752 -11.673 -9.325 1.00 25.00 H new ATOM 0 HG13 ILE A 311 3.422 -11.432 -9.799 1.00 25.00 H new ATOM 0 HG21 ILE A 311 1.251 -13.602 -10.560 1.00 25.00 H new ATOM 0 HG22 ILE A 311 1.757 -13.796 -12.255 1.00 25.00 H new ATOM 0 HG23 ILE A 311 2.979 -13.725 -10.964 1.00 25.00 H new ATOM 0 HD11 ILE A 311 2.441 -9.340 -8.951 1.00 25.00 H new ATOM 0 HD12 ILE A 311 2.861 -9.171 -10.672 1.00 25.00 H new ATOM 0 HD13 ILE A 311 1.166 -9.416 -10.190 1.00 25.00 H new ATOM 256 N LYS A 312 2.721 -12.380 -14.668 1.00 25.00 N ATOM 257 CA LYS A 312 2.970 -13.340 -15.738 1.00 25.00 C ATOM 258 C LYS A 312 4.306 -13.040 -16.367 1.00 25.00 C ATOM 259 O LYS A 312 5.132 -13.918 -16.462 1.00 25.00 O ATOM 260 CB LYS A 312 1.906 -13.286 -16.833 1.00 25.00 C ATOM 261 CG LYS A 312 1.076 -14.547 -16.928 1.00 25.00 C ATOM 262 CD LYS A 312 0.386 -14.644 -18.295 1.00 25.00 C ATOM 263 CE LYS A 312 0.825 -15.893 -19.076 1.00 25.00 C ATOM 264 NZ LYS A 312 2.304 -15.913 -19.345 1.00 25.00 N ATOM 0 H LYS A 312 1.977 -11.708 -14.854 1.00 25.00 H new ATOM 0 HA LYS A 312 2.948 -14.334 -15.292 1.00 25.00 H new ATOM 0 HB2 LYS A 312 1.246 -12.439 -16.646 1.00 25.00 H new ATOM 0 HB3 LYS A 312 2.391 -13.106 -17.792 1.00 25.00 H new ATOM 0 HG2 LYS A 312 1.712 -15.419 -16.774 1.00 25.00 H new ATOM 0 HG3 LYS A 312 0.327 -14.555 -16.136 1.00 25.00 H new ATOM 0 HD2 LYS A 312 -0.695 -14.666 -18.155 1.00 25.00 H new ATOM 0 HD3 LYS A 312 0.613 -13.753 -18.880 1.00 25.00 H new ATOM 0 HE2 LYS A 312 0.549 -16.785 -18.513 1.00 25.00 H new ATOM 0 HE3 LYS A 312 0.286 -15.934 -20.023 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 2.477 -16.268 -20.307 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 2.686 -14.950 -19.257 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 2.774 -16.535 -18.657 1.00 25.00 H new ATOM 278 N GLU A 313 4.515 -11.801 -16.780 1.00 25.00 N ATOM 279 CA GLU A 313 5.753 -11.422 -17.467 1.00 25.00 C ATOM 280 C GLU A 313 6.993 -11.649 -16.605 1.00 25.00 C ATOM 281 O GLU A 313 7.973 -12.250 -17.042 1.00 25.00 O ATOM 282 CB GLU A 313 5.698 -9.940 -17.852 1.00 25.00 C ATOM 283 CG GLU A 313 4.562 -9.570 -18.819 1.00 25.00 C ATOM 284 CD GLU A 313 4.310 -8.060 -18.873 1.00 25.00 C ATOM 285 OE1 GLU A 313 3.913 -7.477 -17.834 1.00 25.00 O ATOM 286 OE2 GLU A 313 4.494 -7.457 -19.952 1.00 25.00 O ATOM 0 H GLU A 313 3.850 -11.038 -16.655 1.00 25.00 H new ATOM 0 HA GLU A 313 5.831 -12.055 -18.351 1.00 25.00 H new ATOM 0 HB2 GLU A 313 5.592 -9.346 -16.944 1.00 25.00 H new ATOM 0 HB3 GLU A 313 6.649 -9.661 -18.306 1.00 25.00 H new ATOM 0 HG2 GLU A 313 4.807 -9.931 -19.818 1.00 25.00 H new ATOM 0 HG3 GLU A 313 3.647 -10.078 -18.512 1.00 25.00 H new ATOM 293 N LEU A 314 6.946 -11.173 -15.371 1.00 25.00 N ATOM 294 CA LEU A 314 8.068 -11.293 -14.456 1.00 25.00 C ATOM 295 C LEU A 314 8.238 -12.740 -14.008 1.00 25.00 C ATOM 296 O LEU A 314 9.328 -13.161 -13.624 1.00 25.00 O ATOM 297 CB LEU A 314 7.809 -10.384 -13.247 1.00 25.00 C ATOM 298 CG LEU A 314 8.875 -10.351 -12.148 1.00 25.00 C ATOM 299 CD1 LEU A 314 10.231 -9.861 -12.667 1.00 25.00 C ATOM 300 CD2 LEU A 314 8.399 -9.452 -11.008 1.00 25.00 C ATOM 0 H LEU A 314 6.135 -10.696 -14.978 1.00 25.00 H new ATOM 0 HA LEU A 314 8.987 -10.989 -14.957 1.00 25.00 H new ATOM 0 HB2 LEU A 314 7.672 -9.367 -13.614 1.00 25.00 H new ATOM 0 HB3 LEU A 314 6.866 -10.689 -12.793 1.00 25.00 H new ATOM 0 HG LEU A 314 9.016 -11.371 -11.791 1.00 25.00 H new ATOM 0 HD11 LEU A 314 10.953 -9.856 -11.850 1.00 25.00 H new ATOM 0 HD12 LEU A 314 10.581 -10.527 -13.456 1.00 25.00 H new ATOM 0 HD13 LEU A 314 10.125 -8.852 -13.064 1.00 25.00 H new ATOM 0 HD21 LEU A 314 9.156 -9.427 -10.224 1.00 25.00 H new ATOM 0 HD22 LEU A 314 8.233 -8.443 -11.385 1.00 25.00 H new ATOM 0 HD23 LEU A 314 7.467 -9.844 -10.600 1.00 25.00 H new ATOM 312 N GLY A 315 7.156 -13.497 -14.048 1.00 25.00 N ATOM 313 CA GLY A 315 7.191 -14.879 -13.611 1.00 25.00 C ATOM 314 C GLY A 315 7.641 -15.849 -14.677 1.00 25.00 C ATOM 315 O GLY A 315 8.434 -16.727 -14.385 1.00 25.00 O ATOM 0 H GLY A 315 6.245 -13.178 -14.378 1.00 25.00 H new ATOM 0 HA2 GLY A 315 7.859 -14.961 -12.754 1.00 25.00 H new ATOM 0 HA3 GLY A 315 6.197 -15.166 -13.269 1.00 25.00 H new ATOM 319 N GLU A 316 7.149 -15.720 -15.901 1.00 25.00 N ATOM 320 CA GLU A 316 7.492 -16.673 -16.959 1.00 25.00 C ATOM 321 C GLU A 316 8.928 -16.494 -17.431 1.00 25.00 C ATOM 322 O GLU A 316 9.554 -17.445 -17.880 1.00 25.00 O ATOM 323 CB GLU A 316 6.493 -16.598 -18.122 1.00 25.00 C ATOM 324 CG GLU A 316 6.542 -15.340 -18.985 1.00 25.00 C ATOM 325 CD GLU A 316 5.238 -15.164 -19.751 1.00 25.00 C ATOM 326 OE1 GLU A 316 4.886 -16.065 -20.545 1.00 25.00 O ATOM 327 OE2 GLU A 316 4.534 -14.148 -19.544 1.00 25.00 O ATOM 0 H GLU A 316 6.516 -14.974 -16.189 1.00 25.00 H new ATOM 0 HA GLU A 316 7.420 -17.675 -16.536 1.00 25.00 H new ATOM 0 HB2 GLU A 316 6.657 -17.461 -18.768 1.00 25.00 H new ATOM 0 HB3 GLU A 316 5.487 -16.692 -17.713 1.00 25.00 H new ATOM 0 HG2 GLU A 316 6.721 -14.468 -18.356 1.00 25.00 H new ATOM 0 HG3 GLU A 316 7.375 -15.405 -19.685 1.00 25.00 H new ATOM 334 N LEU A 317 9.464 -15.288 -17.289 1.00 25.00 N ATOM 335 CA LEU A 317 10.874 -15.030 -17.601 1.00 25.00 C ATOM 336 C LEU A 317 11.774 -15.904 -16.703 1.00 25.00 C ATOM 337 O LEU A 317 12.886 -16.275 -17.068 1.00 25.00 O ATOM 338 CB LEU A 317 11.151 -13.528 -17.377 1.00 25.00 C ATOM 339 CG LEU A 317 12.499 -12.881 -17.768 1.00 25.00 C ATOM 340 CD1 LEU A 317 13.542 -13.002 -16.650 1.00 25.00 C ATOM 341 CD2 LEU A 317 13.062 -13.440 -19.077 1.00 25.00 C ATOM 0 H LEU A 317 8.949 -14.471 -16.961 1.00 25.00 H new ATOM 0 HA LEU A 317 11.093 -15.284 -18.638 1.00 25.00 H new ATOM 0 HB2 LEU A 317 10.373 -12.981 -17.909 1.00 25.00 H new ATOM 0 HB3 LEU A 317 11.006 -13.336 -16.314 1.00 25.00 H new ATOM 0 HG LEU A 317 12.284 -11.824 -17.923 1.00 25.00 H new ATOM 0 HD11 LEU A 317 14.473 -12.534 -16.969 1.00 25.00 H new ATOM 0 HD12 LEU A 317 13.174 -12.504 -15.753 1.00 25.00 H new ATOM 0 HD13 LEU A 317 13.721 -14.055 -16.432 1.00 25.00 H new ATOM 0 HD21 LEU A 317 14.009 -12.951 -19.304 1.00 25.00 H new ATOM 0 HD22 LEU A 317 13.223 -14.513 -18.975 1.00 25.00 H new ATOM 0 HD23 LEU A 317 12.355 -13.255 -19.886 1.00 25.00 H new ATOM 353 N ARG A 318 11.261 -16.228 -15.524 1.00 25.00 N ATOM 354 CA ARG A 318 11.979 -17.006 -14.506 1.00 25.00 C ATOM 355 C ARG A 318 11.358 -18.382 -14.277 1.00 25.00 C ATOM 356 O ARG A 318 11.700 -19.039 -13.302 1.00 25.00 O ATOM 357 CB ARG A 318 11.944 -16.262 -13.172 1.00 25.00 C ATOM 358 CG ARG A 318 12.517 -14.851 -13.204 1.00 25.00 C ATOM 359 CD ARG A 318 12.378 -14.189 -11.832 1.00 25.00 C ATOM 360 NE ARG A 318 10.960 -14.050 -11.453 1.00 25.00 N ATOM 361 CZ ARG A 318 10.321 -14.768 -10.532 1.00 25.00 C ATOM 362 NH1 ARG A 318 10.906 -15.706 -9.826 1.00 25.00 N ATOM 363 NH2 ARG A 318 9.056 -14.538 -10.323 1.00 25.00 N ATOM 0 H ARG A 318 10.321 -15.957 -15.237 1.00 25.00 H new ATOM 0 HA ARG A 318 12.998 -17.134 -14.872 1.00 25.00 H new ATOM 0 HB2 ARG A 318 10.910 -16.210 -12.830 1.00 25.00 H new ATOM 0 HB3 ARG A 318 12.495 -16.845 -12.434 1.00 25.00 H new ATOM 0 HG2 ARG A 318 13.567 -14.884 -13.494 1.00 25.00 H new ATOM 0 HG3 ARG A 318 11.997 -14.257 -13.956 1.00 25.00 H new ATOM 0 HD2 ARG A 318 12.902 -14.783 -11.083 1.00 25.00 H new ATOM 0 HD3 ARG A 318 12.852 -13.207 -11.848 1.00 25.00 H new ATOM 0 HE ARG A 318 10.418 -13.337 -11.942 1.00 25.00 H new ATOM 0 HH11 ARG A 318 11.894 -15.912 -9.972 1.00 25.00 H new ATOM 0 HH12 ARG A 318 10.373 -16.229 -9.131 1.00 25.00 H new ATOM 0 HH21 ARG A 318 8.573 -13.818 -10.861 1.00 25.00 H new ATOM 0 HH22 ARG A 318 8.549 -15.078 -9.622 1.00 25.00 H new ATOM 377 N LYS A 319 10.400 -18.762 -15.119 1.00 25.00 N ATOM 378 CA LYS A 319 9.498 -19.894 -14.869 1.00 25.00 C ATOM 379 C LYS A 319 10.012 -21.064 -14.024 1.00 25.00 C ATOM 380 O LYS A 319 10.888 -21.841 -14.420 1.00 25.00 O ATOM 381 CB LYS A 319 8.982 -20.412 -16.201 1.00 25.00 C ATOM 382 CG LYS A 319 10.103 -20.726 -17.204 1.00 25.00 C ATOM 383 CD LYS A 319 9.657 -21.741 -18.200 1.00 25.00 C ATOM 384 CE LYS A 319 9.230 -23.059 -17.512 1.00 25.00 C ATOM 385 NZ LYS A 319 10.321 -23.671 -16.664 1.00 25.00 N ATOM 0 H LYS A 319 10.223 -18.290 -16.006 1.00 25.00 H new ATOM 0 HA LYS A 319 8.719 -19.468 -14.237 1.00 25.00 H new ATOM 0 HB2 LYS A 319 8.394 -21.313 -16.030 1.00 25.00 H new ATOM 0 HB3 LYS A 319 8.311 -19.671 -16.636 1.00 25.00 H new ATOM 0 HG2 LYS A 319 10.402 -19.813 -17.719 1.00 25.00 H new ATOM 0 HG3 LYS A 319 10.980 -21.094 -16.672 1.00 25.00 H new ATOM 0 HD2 LYS A 319 8.822 -21.344 -18.778 1.00 25.00 H new ATOM 0 HD3 LYS A 319 10.465 -21.942 -18.904 1.00 25.00 H new ATOM 0 HE2 LYS A 319 8.357 -22.869 -16.887 1.00 25.00 H new ATOM 0 HE3 LYS A 319 8.926 -23.777 -18.274 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 10.002 -24.592 -16.300 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 11.176 -23.804 -17.241 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 10.537 -23.039 -15.867 1.00 25.00 H new ATOM 399 N GLU A 320 9.422 -21.182 -12.850 1.00 25.00 N ATOM 400 CA GLU A 320 9.741 -22.247 -11.913 1.00 25.00 C ATOM 401 C GLU A 320 9.395 -23.610 -12.490 1.00 25.00 C ATOM 402 O GLU A 320 8.522 -23.728 -13.355 1.00 25.00 O ATOM 403 CB GLU A 320 8.972 -22.011 -10.615 1.00 25.00 C ATOM 404 CG GLU A 320 9.385 -20.729 -9.902 1.00 25.00 C ATOM 405 CD GLU A 320 8.651 -20.530 -8.587 1.00 25.00 C ATOM 406 OE1 GLU A 320 8.317 -21.536 -7.922 1.00 25.00 O ATOM 407 OE2 GLU A 320 8.417 -19.356 -8.217 1.00 25.00 O ATOM 0 H GLU A 320 8.704 -20.539 -12.516 1.00 25.00 H new ATOM 0 HA GLU A 320 10.813 -22.236 -11.717 1.00 25.00 H new ATOM 0 HB2 GLU A 320 7.905 -21.971 -10.834 1.00 25.00 H new ATOM 0 HB3 GLU A 320 9.129 -22.858 -9.947 1.00 25.00 H new ATOM 0 HG2 GLU A 320 10.459 -20.751 -9.715 1.00 25.00 H new ATOM 0 HG3 GLU A 320 9.193 -19.877 -10.554 1.00 25.00 H new ATOM 414 N PRO A 321 10.063 -24.673 -11.999 1.00 25.00 N ATOM 415 CA PRO A 321 9.612 -26.012 -12.381 1.00 25.00 C ATOM 416 C PRO A 321 8.359 -26.371 -11.584 1.00 25.00 C ATOM 417 O PRO A 321 7.839 -27.478 -11.684 1.00 25.00 O ATOM 418 CB PRO A 321 10.794 -26.894 -11.980 1.00 25.00 C ATOM 419 CG PRO A 321 11.337 -26.223 -10.775 1.00 25.00 C ATOM 420 CD PRO A 321 11.209 -24.744 -11.063 1.00 25.00 C ATOM 0 HA PRO A 321 9.349 -26.116 -13.434 1.00 25.00 H new ATOM 0 HB2 PRO A 321 10.477 -27.914 -11.762 1.00 25.00 H new ATOM 0 HB3 PRO A 321 11.537 -26.954 -12.775 1.00 25.00 H new ATOM 0 HG2 PRO A 321 10.778 -26.502 -9.882 1.00 25.00 H new ATOM 0 HG3 PRO A 321 12.376 -26.503 -10.601 1.00 25.00 H new ATOM 0 HD2 PRO A 321 11.021 -24.173 -10.154 1.00 25.00 H new ATOM 0 HD3 PRO A 321 12.118 -24.342 -11.510 1.00 25.00 H new ATOM 428 N SER A 322 7.900 -25.410 -10.787 1.00 25.00 N ATOM 429 CA SER A 322 6.704 -25.554 -9.950 1.00 25.00 C ATOM 430 C SER A 322 5.403 -25.489 -10.765 1.00 25.00 C ATOM 431 O SER A 322 4.666 -24.505 -10.691 1.00 25.00 O ATOM 432 CB SER A 322 6.690 -24.439 -8.900 1.00 25.00 C ATOM 433 OG SER A 322 7.956 -24.335 -8.264 1.00 25.00 O ATOM 0 H SER A 322 8.350 -24.499 -10.700 1.00 25.00 H new ATOM 0 HA SER A 322 6.750 -26.536 -9.480 1.00 25.00 H new ATOM 0 HB2 SER A 322 6.435 -23.490 -9.373 1.00 25.00 H new ATOM 0 HB3 SER A 322 5.919 -24.642 -8.157 1.00 25.00 H new ATOM 0 HG SER A 322 8.159 -23.392 -8.092 1.00 25.00 H new ATOM 439 N LEU A 323 5.139 -26.533 -11.541 1.00 25.00 N ATOM 440 CA LEU A 323 3.935 -26.631 -12.369 1.00 25.00 C ATOM 441 C LEU A 323 2.999 -27.673 -11.766 1.00 25.00 C ATOM 442 O LEU A 323 3.519 -28.725 -11.332 1.00 25.00 O ATOM 443 CB LEU A 323 4.325 -27.033 -13.802 1.00 25.00 C ATOM 444 CG LEU A 323 3.172 -27.181 -14.809 1.00 25.00 C ATOM 445 CD1 LEU A 323 2.447 -25.853 -15.030 1.00 25.00 C ATOM 446 CD2 LEU A 323 3.729 -27.692 -16.136 1.00 25.00 C ATOM 447 OXT LEU A 323 1.775 -27.437 -11.745 1.00 25.00 O ATOM 0 H LEU A 323 5.755 -27.342 -11.617 1.00 25.00 H new ATOM 0 HA LEU A 323 3.428 -25.667 -12.401 1.00 25.00 H new ATOM 0 HB2 LEU A 323 5.022 -26.289 -14.188 1.00 25.00 H new ATOM 0 HB3 LEU A 323 4.863 -27.980 -13.757 1.00 25.00 H new ATOM 0 HG LEU A 323 2.451 -27.891 -14.405 1.00 25.00 H new ATOM 0 HD11 LEU A 323 1.639 -25.995 -15.747 1.00 25.00 H new ATOM 0 HD12 LEU A 323 2.035 -25.501 -14.084 1.00 25.00 H new ATOM 0 HD13 LEU A 323 3.150 -25.115 -15.417 1.00 25.00 H new ATOM 0 HD21 LEU A 323 2.916 -27.799 -16.855 1.00 25.00 H new ATOM 0 HD22 LEU A 323 4.462 -26.983 -16.520 1.00 25.00 H new ATOM 0 HD23 LEU A 323 4.207 -28.659 -15.982 1.00 25.00 H new TER 459 LEU A 323