USER MOD reduce.3.24.130724 H: found=0, std=0, add=208, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 210 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 302 LYS NZ :NH3+ -105:sc= 0.221 (180deg=-1.01) USER MOD Single : A 305 LYS NZ :NH3+ 153:sc= 0.751 (180deg=0.265) USER MOD Single : A 306 TYR OH : rot -132:sc= 0.622 USER MOD Single : A 307 LYS NZ :NH3+ 159:sc= -0.0205 (180deg=-0.29) USER MOD Single : A 308 LYS NZ :NH3+ 172:sc= 0.783 (180deg=0.693) USER MOD Single : A 312 LYS NZ :NH3+ 175:sc= -0.165 (180deg=-0.199) USER MOD Single : A 319 LYS NZ :NH3+ -165:sc= 0.773 (180deg=0.447) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N ARG A 300 14.558 -15.130 13.186 1.00 25.00 N ATOM 32 CA ARG A 300 15.254 -14.155 14.040 1.00 25.00 C ATOM 33 C ARG A 300 15.559 -12.898 13.228 1.00 25.00 C ATOM 34 O ARG A 300 16.653 -12.726 12.717 1.00 25.00 O ATOM 35 CB ARG A 300 16.524 -14.766 14.633 1.00 25.00 C ATOM 36 CG ARG A 300 16.216 -15.932 15.572 1.00 25.00 C ATOM 37 CD ARG A 300 17.294 -16.088 16.614 1.00 25.00 C ATOM 38 NE ARG A 300 16.997 -17.202 17.537 1.00 25.00 N ATOM 39 CZ ARG A 300 17.721 -17.530 18.605 1.00 25.00 C ATOM 40 NH1 ARG A 300 18.806 -16.880 18.947 1.00 25.00 N ATOM 41 NH2 ARG A 300 17.342 -18.535 19.347 1.00 25.00 N ATOM 0 HA ARG A 300 14.611 -13.879 14.876 1.00 25.00 H new ATOM 0 HB2 ARG A 300 17.170 -15.112 13.826 1.00 25.00 H new ATOM 0 HB3 ARG A 300 17.075 -13.999 15.177 1.00 25.00 H new ATOM 0 HG2 ARG A 300 15.255 -15.766 16.060 1.00 25.00 H new ATOM 0 HG3 ARG A 300 16.126 -16.853 14.996 1.00 25.00 H new ATOM 0 HD2 ARG A 300 18.252 -16.265 16.125 1.00 25.00 H new ATOM 0 HD3 ARG A 300 17.392 -15.161 17.180 1.00 25.00 H new ATOM 0 HE ARG A 300 16.170 -17.766 17.340 1.00 25.00 H new ATOM 0 HH11 ARG A 300 19.125 -16.090 18.387 1.00 25.00 H new ATOM 0 HH12 ARG A 300 19.332 -17.164 19.774 1.00 25.00 H new ATOM 0 HH21 ARG A 300 16.500 -19.058 19.106 1.00 25.00 H new ATOM 0 HH22 ARG A 300 17.888 -18.797 20.168 1.00 25.00 H new ATOM 55 N ARG A 301 14.552 -12.043 13.111 1.00 25.00 N ATOM 56 CA ARG A 301 14.615 -10.812 12.303 1.00 25.00 C ATOM 57 C ARG A 301 15.670 -9.773 12.708 1.00 25.00 C ATOM 58 O ARG A 301 16.234 -9.120 11.848 1.00 25.00 O ATOM 59 CB ARG A 301 13.238 -10.134 12.359 1.00 25.00 C ATOM 60 CG ARG A 301 12.289 -10.507 11.215 1.00 25.00 C ATOM 61 CD ARG A 301 12.634 -9.728 9.955 1.00 25.00 C ATOM 62 NE ARG A 301 11.665 -9.926 8.867 1.00 25.00 N ATOM 63 CZ ARG A 301 11.735 -9.336 7.675 1.00 25.00 C ATOM 64 NH1 ARG A 301 12.700 -8.515 7.350 1.00 25.00 N ATOM 65 NH2 ARG A 301 10.808 -9.581 6.790 1.00 25.00 N ATOM 0 H ARG A 301 13.654 -12.178 13.576 1.00 25.00 H new ATOM 0 HA ARG A 301 14.911 -11.144 11.308 1.00 25.00 H new ATOM 0 HB2 ARG A 301 12.761 -10.390 13.305 1.00 25.00 H new ATOM 0 HB3 ARG A 301 13.381 -9.053 12.356 1.00 25.00 H new ATOM 0 HG2 ARG A 301 12.354 -11.577 11.016 1.00 25.00 H new ATOM 0 HG3 ARG A 301 11.260 -10.299 11.507 1.00 25.00 H new ATOM 0 HD2 ARG A 301 12.688 -8.666 10.196 1.00 25.00 H new ATOM 0 HD3 ARG A 301 13.624 -10.028 9.610 1.00 25.00 H new ATOM 0 HE ARG A 301 10.884 -10.560 9.037 1.00 25.00 H new ATOM 0 HH11 ARG A 301 13.438 -8.305 8.021 1.00 25.00 H new ATOM 0 HH12 ARG A 301 12.714 -8.085 6.425 1.00 25.00 H new ATOM 0 HH21 ARG A 301 10.043 -10.217 7.015 1.00 25.00 H new ATOM 0 HH22 ARG A 301 10.848 -9.136 5.873 1.00 25.00 H new ATOM 79 N LYS A 302 15.907 -9.631 14.013 1.00 25.00 N ATOM 80 CA LYS A 302 16.828 -8.615 14.611 1.00 25.00 C ATOM 81 C LYS A 302 16.304 -7.174 14.466 1.00 25.00 C ATOM 82 O LYS A 302 16.970 -6.232 14.903 1.00 25.00 O ATOM 83 CB LYS A 302 18.250 -8.629 14.004 1.00 25.00 C ATOM 84 CG LYS A 302 18.935 -10.004 13.812 1.00 25.00 C ATOM 85 CD LYS A 302 19.183 -10.385 12.314 1.00 25.00 C ATOM 86 CE LYS A 302 19.924 -9.294 11.492 1.00 25.00 C ATOM 87 NZ LYS A 302 18.965 -8.477 10.624 1.00 25.00 N ATOM 0 H LYS A 302 15.463 -10.224 14.714 1.00 25.00 H new ATOM 0 HA LYS A 302 16.871 -8.908 15.660 1.00 25.00 H new ATOM 0 HB2 LYS A 302 18.205 -8.138 13.032 1.00 25.00 H new ATOM 0 HB3 LYS A 302 18.892 -8.020 14.640 1.00 25.00 H new ATOM 0 HG2 LYS A 302 19.889 -10.000 14.339 1.00 25.00 H new ATOM 0 HG3 LYS A 302 18.318 -10.774 14.275 1.00 25.00 H new ATOM 0 HD2 LYS A 302 19.762 -11.308 12.277 1.00 25.00 H new ATOM 0 HD3 LYS A 302 18.223 -10.592 11.840 1.00 25.00 H new ATOM 0 HE2 LYS A 302 20.455 -8.627 12.171 1.00 25.00 H new ATOM 0 HE3 LYS A 302 20.674 -9.766 10.857 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 19.061 -8.770 9.631 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 17.987 -8.639 10.940 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 19.194 -7.466 10.711 1.00 25.00 H new ATOM 115 N GLY A 304 14.101 -3.473 13.443 1.00 25.00 N ATOM 116 CA GLY A 304 13.486 -2.341 14.126 1.00 25.00 C ATOM 117 C GLY A 304 14.514 -1.537 14.885 1.00 25.00 C ATOM 118 O GLY A 304 15.027 -0.543 14.373 1.00 25.00 O ATOM 0 HA2 GLY A 304 12.986 -1.702 13.398 1.00 25.00 H new ATOM 0 HA3 GLY A 304 12.721 -2.700 14.814 1.00 25.00 H new ATOM 122 N LYS A 305 14.838 -1.971 16.097 1.00 25.00 N ATOM 123 CA LYS A 305 15.817 -1.258 16.922 1.00 25.00 C ATOM 124 C LYS A 305 17.148 -1.225 16.201 1.00 25.00 C ATOM 125 O LYS A 305 17.862 -0.227 16.249 1.00 25.00 O ATOM 126 CB LYS A 305 15.990 -1.924 18.293 1.00 25.00 C ATOM 127 CG LYS A 305 16.746 -1.037 19.307 1.00 25.00 C ATOM 128 CD LYS A 305 17.981 -1.724 19.927 1.00 25.00 C ATOM 129 CE LYS A 305 19.178 -1.844 18.956 1.00 25.00 C ATOM 130 NZ LYS A 305 19.706 -0.505 18.487 1.00 25.00 N ATOM 0 H LYS A 305 14.444 -2.805 16.531 1.00 25.00 H new ATOM 0 HA LYS A 305 15.452 -0.244 17.086 1.00 25.00 H new ATOM 0 HB2 LYS A 305 15.008 -2.171 18.697 1.00 25.00 H new ATOM 0 HB3 LYS A 305 16.529 -2.863 18.169 1.00 25.00 H new ATOM 0 HG2 LYS A 305 17.062 -0.120 18.810 1.00 25.00 H new ATOM 0 HG3 LYS A 305 16.062 -0.748 20.105 1.00 25.00 H new ATOM 0 HD2 LYS A 305 18.294 -1.163 20.808 1.00 25.00 H new ATOM 0 HD3 LYS A 305 17.699 -2.720 20.267 1.00 25.00 H new ATOM 0 HE2 LYS A 305 19.982 -2.392 19.448 1.00 25.00 H new ATOM 0 HE3 LYS A 305 18.876 -2.431 18.089 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 20.713 -0.595 18.244 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 19.174 -0.196 17.649 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 19.595 0.197 19.246 1.00 25.00 H new ATOM 144 N TYR A 306 17.489 -2.320 15.539 1.00 25.00 N ATOM 145 CA TYR A 306 18.724 -2.359 14.776 1.00 25.00 C ATOM 146 C TYR A 306 18.512 -1.790 13.381 1.00 25.00 C ATOM 147 O TYR A 306 19.321 -1.027 12.923 1.00 25.00 O ATOM 148 CB TYR A 306 19.278 -3.776 14.652 1.00 25.00 C ATOM 149 CG TYR A 306 20.541 -3.784 13.829 1.00 25.00 C ATOM 150 CD1 TYR A 306 21.784 -3.434 14.401 1.00 25.00 C ATOM 151 CD2 TYR A 306 20.499 -4.110 12.458 1.00 25.00 C ATOM 152 CE1 TYR A 306 22.961 -3.399 13.609 1.00 25.00 C ATOM 153 CE2 TYR A 306 21.668 -4.065 11.669 1.00 25.00 C ATOM 154 CZ TYR A 306 22.884 -3.703 12.248 1.00 25.00 C ATOM 155 OH TYR A 306 24.005 -3.637 11.466 1.00 25.00 O ATOM 0 H TYR A 306 16.938 -3.178 15.515 1.00 25.00 H new ATOM 0 HA TYR A 306 19.446 -1.751 15.321 1.00 25.00 H new ATOM 0 HB2 TYR A 306 19.482 -4.180 15.644 1.00 25.00 H new ATOM 0 HB3 TYR A 306 18.533 -4.424 14.190 1.00 25.00 H new ATOM 0 HD1 TYR A 306 21.839 -3.191 15.452 1.00 25.00 H new ATOM 0 HD2 TYR A 306 19.561 -4.398 12.006 1.00 25.00 H new ATOM 0 HE1 TYR A 306 23.909 -3.139 14.055 1.00 25.00 H new ATOM 0 HE2 TYR A 306 21.621 -4.311 10.618 1.00 25.00 H new ATOM 0 HH TYR A 306 23.802 -3.142 10.645 1.00 25.00 H new ATOM 165 N LYS A 307 17.418 -2.154 12.721 1.00 25.00 N ATOM 166 CA LYS A 307 17.161 -1.722 11.333 1.00 25.00 C ATOM 167 C LYS A 307 17.280 -0.212 11.124 1.00 25.00 C ATOM 168 O LYS A 307 17.764 0.256 10.104 1.00 25.00 O ATOM 169 CB LYS A 307 15.772 -2.182 10.900 1.00 25.00 C ATOM 170 CG LYS A 307 15.549 -2.144 9.403 1.00 25.00 C ATOM 171 CD LYS A 307 14.102 -2.484 9.071 1.00 25.00 C ATOM 172 CE LYS A 307 13.947 -2.828 7.600 1.00 25.00 C ATOM 173 NZ LYS A 307 14.553 -4.175 7.337 1.00 25.00 N ATOM 0 H LYS A 307 16.689 -2.747 13.117 1.00 25.00 H new ATOM 0 HA LYS A 307 17.936 -2.185 10.721 1.00 25.00 H new ATOM 0 HB2 LYS A 307 15.611 -3.200 11.255 1.00 25.00 H new ATOM 0 HB3 LYS A 307 15.025 -1.553 11.384 1.00 25.00 H new ATOM 0 HG2 LYS A 307 15.794 -1.154 9.018 1.00 25.00 H new ATOM 0 HG3 LYS A 307 16.217 -2.851 8.912 1.00 25.00 H new ATOM 0 HD2 LYS A 307 13.773 -3.325 9.681 1.00 25.00 H new ATOM 0 HD3 LYS A 307 13.460 -1.639 9.320 1.00 25.00 H new ATOM 0 HE2 LYS A 307 12.892 -2.832 7.325 1.00 25.00 H new ATOM 0 HE3 LYS A 307 14.434 -2.071 6.985 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 14.155 -4.570 6.461 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 15.584 -4.078 7.236 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 14.341 -4.812 8.131 1.00 25.00 H new ATOM 187 N LYS A 308 16.840 0.555 12.109 1.00 25.00 N ATOM 188 CA LYS A 308 16.926 2.007 12.022 1.00 25.00 C ATOM 189 C LYS A 308 18.360 2.537 12.100 1.00 25.00 C ATOM 190 O LYS A 308 18.611 3.661 11.700 1.00 25.00 O ATOM 191 CB LYS A 308 15.997 2.704 13.021 1.00 25.00 C ATOM 192 CG LYS A 308 16.533 2.890 14.450 1.00 25.00 C ATOM 193 CD LYS A 308 15.834 4.081 15.116 1.00 25.00 C ATOM 194 CE LYS A 308 16.388 5.419 14.585 1.00 25.00 C ATOM 195 NZ LYS A 308 15.545 6.595 14.970 1.00 25.00 N ATOM 0 H LYS A 308 16.423 0.202 12.971 1.00 25.00 H new ATOM 0 HA LYS A 308 16.571 2.263 11.024 1.00 25.00 H new ATOM 0 HB2 LYS A 308 15.744 3.686 12.622 1.00 25.00 H new ATOM 0 HB3 LYS A 308 15.069 2.134 13.077 1.00 25.00 H new ATOM 0 HG2 LYS A 308 16.363 1.985 15.033 1.00 25.00 H new ATOM 0 HG3 LYS A 308 17.610 3.056 14.426 1.00 25.00 H new ATOM 0 HD2 LYS A 308 14.762 4.028 14.929 1.00 25.00 H new ATOM 0 HD3 LYS A 308 15.972 4.030 16.196 1.00 25.00 H new ATOM 0 HE2 LYS A 308 17.399 5.564 14.965 1.00 25.00 H new ATOM 0 HE3 LYS A 308 16.460 5.371 13.498 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 16.033 7.474 14.704 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 14.631 6.544 14.476 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 15.384 6.585 15.997 1.00 25.00 H new ATOM 209 N VAL A 309 19.289 1.765 12.652 1.00 25.00 N ATOM 210 CA VAL A 309 20.662 2.239 12.833 1.00 25.00 C ATOM 211 C VAL A 309 21.306 2.571 11.481 1.00 25.00 C ATOM 212 O VAL A 309 22.033 3.546 11.389 1.00 25.00 O ATOM 213 CB VAL A 309 21.530 1.234 13.694 1.00 25.00 C ATOM 214 CG1 VAL A 309 22.300 0.214 12.836 1.00 25.00 C ATOM 215 CG2 VAL A 309 22.514 1.997 14.578 1.00 25.00 C ATOM 0 H VAL A 309 19.122 0.814 12.981 1.00 25.00 H new ATOM 0 HA VAL A 309 20.624 3.164 13.408 1.00 25.00 H new ATOM 0 HB VAL A 309 20.826 0.676 14.311 1.00 25.00 H new ATOM 0 HG11 VAL A 309 22.876 -0.446 13.485 1.00 25.00 H new ATOM 0 HG12 VAL A 309 21.594 -0.376 12.252 1.00 25.00 H new ATOM 0 HG13 VAL A 309 22.976 0.741 12.163 1.00 25.00 H new ATOM 0 HG21 VAL A 309 23.102 1.290 15.163 1.00 25.00 H new ATOM 0 HG22 VAL A 309 23.179 2.592 13.952 1.00 25.00 H new ATOM 0 HG23 VAL A 309 21.964 2.655 15.251 1.00 25.00 H new ATOM 225 N GLU A 310 21.026 1.805 10.433 1.00 25.00 N ATOM 226 CA GLU A 310 21.568 2.122 9.110 1.00 25.00 C ATOM 227 C GLU A 310 20.993 3.453 8.632 1.00 25.00 C ATOM 228 O GLU A 310 21.702 4.296 8.092 1.00 25.00 O ATOM 229 CB GLU A 310 21.215 1.027 8.094 1.00 25.00 C ATOM 230 CG GLU A 310 22.131 -0.209 8.142 1.00 25.00 C ATOM 231 CD GLU A 310 21.791 -1.207 9.253 1.00 25.00 C ATOM 232 OE1 GLU A 310 20.733 -1.072 9.914 1.00 25.00 O ATOM 233 OE2 GLU A 310 22.598 -2.144 9.457 1.00 25.00 O ATOM 0 H GLU A 310 20.437 0.973 10.467 1.00 25.00 H new ATOM 0 HA GLU A 310 22.653 2.186 9.190 1.00 25.00 H new ATOM 0 HB2 GLU A 310 20.187 0.708 8.265 1.00 25.00 H new ATOM 0 HB3 GLU A 310 21.254 1.453 7.092 1.00 25.00 H new ATOM 0 HG2 GLU A 310 22.079 -0.722 7.182 1.00 25.00 H new ATOM 0 HG3 GLU A 310 23.161 0.122 8.271 1.00 25.00 H new ATOM 240 N ILE A 311 19.700 3.644 8.852 1.00 25.00 N ATOM 241 CA ILE A 311 19.003 4.867 8.440 1.00 25.00 C ATOM 242 C ILE A 311 19.585 6.063 9.208 1.00 25.00 C ATOM 243 O ILE A 311 19.682 7.180 8.693 1.00 25.00 O ATOM 244 CB ILE A 311 17.459 4.745 8.690 1.00 25.00 C ATOM 245 CG1 ILE A 311 16.915 3.455 8.026 1.00 25.00 C ATOM 246 CG2 ILE A 311 16.718 5.975 8.125 1.00 25.00 C ATOM 247 CD1 ILE A 311 15.434 3.155 8.320 1.00 25.00 C ATOM 0 H ILE A 311 19.101 2.962 9.319 1.00 25.00 H new ATOM 0 HA ILE A 311 19.151 5.018 7.371 1.00 25.00 H new ATOM 0 HB ILE A 311 17.287 4.697 9.765 1.00 25.00 H new ATOM 0 HG12 ILE A 311 17.048 3.534 6.947 1.00 25.00 H new ATOM 0 HG13 ILE A 311 17.516 2.609 8.360 1.00 25.00 H new ATOM 0 HG21 ILE A 311 15.649 5.871 8.308 1.00 25.00 H new ATOM 0 HG22 ILE A 311 17.084 6.877 8.615 1.00 25.00 H new ATOM 0 HG23 ILE A 311 16.897 6.046 7.052 1.00 25.00 H new ATOM 0 HD11 ILE A 311 15.142 2.235 7.814 1.00 25.00 H new ATOM 0 HD12 ILE A 311 15.293 3.039 9.395 1.00 25.00 H new ATOM 0 HD13 ILE A 311 14.817 3.978 7.959 1.00 25.00 H new ATOM 259 N LYS A 312 20.002 5.823 10.442 1.00 25.00 N ATOM 260 CA LYS A 312 20.624 6.866 11.251 1.00 25.00 C ATOM 261 C LYS A 312 21.904 7.351 10.577 1.00 25.00 C ATOM 262 O LYS A 312 22.158 8.556 10.531 1.00 25.00 O ATOM 263 CB LYS A 312 20.943 6.339 12.650 1.00 25.00 C ATOM 264 CG LYS A 312 21.401 7.421 13.620 1.00 25.00 C ATOM 265 CD LYS A 312 21.990 6.844 14.915 1.00 25.00 C ATOM 266 CE LYS A 312 23.341 6.141 14.684 1.00 25.00 C ATOM 267 NZ LYS A 312 24.407 7.053 14.128 1.00 25.00 N ATOM 0 H LYS A 312 19.922 4.918 10.906 1.00 25.00 H new ATOM 0 HA LYS A 312 19.926 7.699 11.342 1.00 25.00 H new ATOM 0 HB2 LYS A 312 20.057 5.850 13.056 1.00 25.00 H new ATOM 0 HB3 LYS A 312 21.720 5.578 12.574 1.00 25.00 H new ATOM 0 HG2 LYS A 312 22.149 8.047 13.133 1.00 25.00 H new ATOM 0 HG3 LYS A 312 20.556 8.065 13.865 1.00 25.00 H new ATOM 0 HD2 LYS A 312 22.121 7.647 15.641 1.00 25.00 H new ATOM 0 HD3 LYS A 312 21.284 6.135 15.348 1.00 25.00 H new ATOM 0 HE2 LYS A 312 23.689 5.721 15.628 1.00 25.00 H new ATOM 0 HE3 LYS A 312 23.195 5.306 13.999 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 25.310 6.540 14.076 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 24.133 7.368 13.175 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 24.514 7.881 14.748 1.00 25.00 H new ATOM 281 N GLU A 313 22.705 6.432 10.048 1.00 25.00 N ATOM 282 CA GLU A 313 23.962 6.815 9.391 1.00 25.00 C ATOM 283 C GLU A 313 23.690 7.479 8.044 1.00 25.00 C ATOM 284 O GLU A 313 24.445 8.360 7.614 1.00 25.00 O ATOM 285 CB GLU A 313 24.907 5.616 9.192 1.00 25.00 C ATOM 286 CG GLU A 313 25.124 4.703 10.418 1.00 25.00 C ATOM 287 CD GLU A 313 25.550 5.427 11.704 1.00 25.00 C ATOM 288 OE1 GLU A 313 25.946 6.613 11.676 1.00 25.00 O ATOM 289 OE2 GLU A 313 25.466 4.787 12.779 1.00 25.00 O ATOM 0 H GLU A 313 22.516 5.430 10.057 1.00 25.00 H new ATOM 0 HA GLU A 313 24.456 7.525 10.054 1.00 25.00 H new ATOM 0 HB2 GLU A 313 24.518 5.006 8.376 1.00 25.00 H new ATOM 0 HB3 GLU A 313 25.878 5.995 8.872 1.00 25.00 H new ATOM 0 HG2 GLU A 313 24.200 4.160 10.615 1.00 25.00 H new ATOM 0 HG3 GLU A 313 25.883 3.961 10.169 1.00 25.00 H new ATOM 296 N LEU A 314 22.594 7.090 7.396 1.00 25.00 N ATOM 297 CA LEU A 314 22.162 7.715 6.131 1.00 25.00 C ATOM 298 C LEU A 314 21.718 9.156 6.391 1.00 25.00 C ATOM 299 O LEU A 314 21.476 9.926 5.466 1.00 25.00 O ATOM 300 CB LEU A 314 21.018 6.923 5.480 1.00 25.00 C ATOM 301 CG LEU A 314 21.380 5.544 4.895 1.00 25.00 C ATOM 302 CD1 LEU A 314 20.112 4.825 4.434 1.00 25.00 C ATOM 303 CD2 LEU A 314 22.350 5.672 3.713 1.00 25.00 C ATOM 0 H LEU A 314 21.981 6.342 7.721 1.00 25.00 H new ATOM 0 HA LEU A 314 23.008 7.712 5.443 1.00 25.00 H new ATOM 0 HB2 LEU A 314 20.234 6.782 6.224 1.00 25.00 H new ATOM 0 HB3 LEU A 314 20.594 7.531 4.681 1.00 25.00 H new ATOM 0 HG LEU A 314 21.870 4.968 5.680 1.00 25.00 H new ATOM 0 HD11 LEU A 314 20.376 3.851 4.022 1.00 25.00 H new ATOM 0 HD12 LEU A 314 19.441 4.690 5.283 1.00 25.00 H new ATOM 0 HD13 LEU A 314 19.614 5.420 3.669 1.00 25.00 H new ATOM 0 HD21 LEU A 314 22.584 4.681 3.325 1.00 25.00 H new ATOM 0 HD22 LEU A 314 21.889 6.270 2.927 1.00 25.00 H new ATOM 0 HD23 LEU A 314 23.268 6.157 4.046 1.00 25.00 H new ATOM 315 N GLY A 315 21.673 9.524 7.662 1.00 25.00 N ATOM 316 CA GLY A 315 21.377 10.885 8.055 1.00 25.00 C ATOM 317 C GLY A 315 19.964 11.209 8.449 1.00 25.00 C ATOM 318 O GLY A 315 19.482 12.295 8.154 1.00 25.00 O ATOM 0 H GLY A 315 21.840 8.889 8.443 1.00 25.00 H new ATOM 0 HA2 GLY A 315 22.025 11.140 8.893 1.00 25.00 H new ATOM 0 HA3 GLY A 315 21.653 11.540 7.228 1.00 25.00 H new ATOM 322 N GLU A 316 19.322 10.299 9.167 1.00 25.00 N ATOM 323 CA GLU A 316 17.990 10.550 9.714 1.00 25.00 C ATOM 324 C GLU A 316 18.078 11.756 10.635 1.00 25.00 C ATOM 325 O GLU A 316 17.226 12.631 10.647 1.00 25.00 O ATOM 326 CB GLU A 316 17.552 9.322 10.525 1.00 25.00 C ATOM 327 CG GLU A 316 16.202 9.429 11.217 1.00 25.00 C ATOM 328 CD GLU A 316 16.060 8.392 12.323 1.00 25.00 C ATOM 329 OE1 GLU A 316 16.867 8.427 13.285 1.00 25.00 O ATOM 330 OE2 GLU A 316 15.145 7.542 12.259 1.00 25.00 O ATOM 0 H GLU A 316 19.700 9.377 9.387 1.00 25.00 H new ATOM 0 HA GLU A 316 17.272 10.737 8.916 1.00 25.00 H new ATOM 0 HB2 GLU A 316 17.529 8.460 9.858 1.00 25.00 H new ATOM 0 HB3 GLU A 316 18.311 9.121 11.281 1.00 25.00 H new ATOM 0 HG2 GLU A 316 16.085 10.428 11.636 1.00 25.00 H new ATOM 0 HG3 GLU A 316 15.405 9.294 10.486 1.00 25.00 H new ATOM 337 N LEU A 317 19.154 11.778 11.400 1.00 25.00 N ATOM 338 CA LEU A 317 19.421 12.841 12.357 1.00 25.00 C ATOM 339 C LEU A 317 20.060 14.047 11.687 1.00 25.00 C ATOM 340 O LEU A 317 20.108 15.130 12.252 1.00 25.00 O ATOM 341 CB LEU A 317 20.353 12.319 13.451 1.00 25.00 C ATOM 342 CG LEU A 317 19.950 11.025 14.137 1.00 25.00 C ATOM 343 CD1 LEU A 317 21.047 10.796 15.131 1.00 25.00 C ATOM 344 CD2 LEU A 317 18.603 11.122 14.807 1.00 25.00 C ATOM 0 H LEU A 317 19.873 11.055 11.376 1.00 25.00 H new ATOM 0 HA LEU A 317 18.470 13.154 12.787 1.00 25.00 H new ATOM 0 HB2 LEU A 317 21.342 12.178 13.015 1.00 25.00 H new ATOM 0 HB3 LEU A 317 20.448 13.092 14.214 1.00 25.00 H new ATOM 0 HG LEU A 317 19.838 10.203 13.430 1.00 25.00 H new ATOM 0 HD11 LEU A 317 20.851 9.878 15.685 1.00 25.00 H new ATOM 0 HD12 LEU A 317 21.999 10.708 14.608 1.00 25.00 H new ATOM 0 HD13 LEU A 317 21.091 11.636 15.825 1.00 25.00 H new ATOM 0 HD21 LEU A 317 18.363 10.170 15.282 1.00 25.00 H new ATOM 0 HD22 LEU A 317 18.628 11.908 15.562 1.00 25.00 H new ATOM 0 HD23 LEU A 317 17.842 11.358 14.063 1.00 25.00 H new ATOM 356 N ARG A 318 20.594 13.834 10.492 1.00 25.00 N ATOM 357 CA ARG A 318 21.359 14.879 9.799 1.00 25.00 C ATOM 358 C ARG A 318 20.482 15.734 8.896 1.00 25.00 C ATOM 359 O ARG A 318 20.751 16.916 8.722 1.00 25.00 O ATOM 360 CB ARG A 318 22.509 14.272 8.983 1.00 25.00 C ATOM 361 CG ARG A 318 23.540 13.525 9.846 1.00 25.00 C ATOM 362 CD ARG A 318 24.825 13.163 9.071 1.00 25.00 C ATOM 363 NE ARG A 318 24.686 11.987 8.184 1.00 25.00 N ATOM 364 CZ ARG A 318 24.502 12.020 6.865 1.00 25.00 C ATOM 365 NH1 ARG A 318 24.395 13.141 6.194 1.00 25.00 N ATOM 366 NH2 ARG A 318 24.429 10.900 6.211 1.00 25.00 N ATOM 0 H ARG A 318 20.516 12.956 9.979 1.00 25.00 H new ATOM 0 HA ARG A 318 21.772 15.525 10.574 1.00 25.00 H new ATOM 0 HB2 ARG A 318 22.097 13.584 8.244 1.00 25.00 H new ATOM 0 HB3 ARG A 318 23.013 15.066 8.433 1.00 25.00 H new ATOM 0 HG2 ARG A 318 23.802 14.142 10.705 1.00 25.00 H new ATOM 0 HG3 ARG A 318 23.088 12.613 10.235 1.00 25.00 H new ATOM 0 HD2 ARG A 318 25.129 14.022 8.473 1.00 25.00 H new ATOM 0 HD3 ARG A 318 25.626 12.973 9.786 1.00 25.00 H new ATOM 0 HE ARG A 318 24.736 11.067 8.622 1.00 25.00 H new ATOM 0 HH11 ARG A 318 24.452 14.035 6.682 1.00 25.00 H new ATOM 0 HH12 ARG A 318 24.255 13.119 5.184 1.00 25.00 H new ATOM 0 HH21 ARG A 318 24.512 10.013 6.708 1.00 25.00 H new ATOM 0 HH22 ARG A 318 24.288 10.908 5.201 1.00 25.00 H new ATOM 380 N LYS A 319 19.448 15.138 8.313 1.00 25.00 N ATOM 381 CA LYS A 319 18.538 15.860 7.441 1.00 25.00 C ATOM 382 C LYS A 319 17.111 15.329 7.440 1.00 25.00 C ATOM 383 O LYS A 319 16.197 16.026 7.852 1.00 25.00 O ATOM 384 CB LYS A 319 19.080 15.832 6.014 1.00 25.00 C ATOM 385 CG LYS A 319 19.220 17.213 5.464 1.00 25.00 C ATOM 386 CD LYS A 319 19.574 17.236 3.965 1.00 25.00 C ATOM 387 CE LYS A 319 18.435 16.701 3.072 1.00 25.00 C ATOM 388 NZ LYS A 319 17.173 17.510 3.184 1.00 25.00 N ATOM 0 H LYS A 319 19.221 14.151 8.432 1.00 25.00 H new ATOM 0 HA LYS A 319 18.486 16.875 7.835 1.00 25.00 H new ATOM 0 HB2 LYS A 319 20.048 15.332 5.999 1.00 25.00 H new ATOM 0 HB3 LYS A 319 18.411 15.251 5.379 1.00 25.00 H new ATOM 0 HG2 LYS A 319 18.287 17.755 5.619 1.00 25.00 H new ATOM 0 HG3 LYS A 319 19.993 17.743 6.021 1.00 25.00 H new ATOM 0 HD2 LYS A 319 19.812 18.257 3.669 1.00 25.00 H new ATOM 0 HD3 LYS A 319 20.470 16.639 3.799 1.00 25.00 H new ATOM 0 HE2 LYS A 319 18.766 16.696 2.034 1.00 25.00 H new ATOM 0 HE3 LYS A 319 18.223 15.667 3.344 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 16.380 16.975 2.775 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 16.976 17.709 4.186 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 17.288 18.406 2.669 1.00 25.00 H new ATOM 402 N GLU A 320 16.931 14.115 6.941 1.00 25.00 N ATOM 403 CA GLU A 320 15.607 13.528 6.731 1.00 25.00 C ATOM 404 C GLU A 320 15.771 12.015 6.841 1.00 25.00 C ATOM 405 O GLU A 320 16.879 11.506 6.647 1.00 25.00 O ATOM 406 CB GLU A 320 15.102 13.866 5.308 1.00 25.00 C ATOM 407 CG GLU A 320 14.716 15.331 5.095 1.00 25.00 C ATOM 408 CD GLU A 320 14.367 15.644 3.650 1.00 25.00 C ATOM 409 OE1 GLU A 320 15.276 15.550 2.789 1.00 25.00 O ATOM 410 OE2 GLU A 320 13.212 16.006 3.369 1.00 25.00 O ATOM 0 H GLU A 320 17.700 13.503 6.668 1.00 25.00 H new ATOM 0 HA GLU A 320 14.896 13.914 7.461 1.00 25.00 H new ATOM 0 HB2 GLU A 320 15.878 13.601 4.590 1.00 25.00 H new ATOM 0 HB3 GLU A 320 14.237 13.241 5.087 1.00 25.00 H new ATOM 0 HG2 GLU A 320 13.864 15.574 5.730 1.00 25.00 H new ATOM 0 HG3 GLU A 320 15.541 15.969 5.411 1.00 25.00 H new ATOM 417 N PRO A 321 14.687 11.276 7.140 1.00 25.00 N ATOM 418 CA PRO A 321 14.838 9.817 7.169 1.00 25.00 C ATOM 419 C PRO A 321 14.998 9.234 5.763 1.00 25.00 C ATOM 420 O PRO A 321 14.835 9.930 4.763 1.00 25.00 O ATOM 421 CB PRO A 321 13.528 9.356 7.812 1.00 25.00 C ATOM 422 CG PRO A 321 12.545 10.370 7.374 1.00 25.00 C ATOM 423 CD PRO A 321 13.297 11.674 7.444 1.00 25.00 C ATOM 0 HA PRO A 321 15.727 9.492 7.709 1.00 25.00 H new ATOM 0 HB2 PRO A 321 13.248 8.357 7.478 1.00 25.00 H new ATOM 0 HB3 PRO A 321 13.607 9.318 8.898 1.00 25.00 H new ATOM 0 HG2 PRO A 321 12.190 10.169 6.363 1.00 25.00 H new ATOM 0 HG3 PRO A 321 11.669 10.381 8.023 1.00 25.00 H new ATOM 0 HD2 PRO A 321 12.918 12.397 6.722 1.00 25.00 H new ATOM 0 HD3 PRO A 321 13.216 12.134 8.429 1.00 25.00 H new ATOM 431 N SER A 322 15.306 7.950 5.692 1.00 25.00 N ATOM 432 CA SER A 322 15.491 7.256 4.421 1.00 25.00 C ATOM 433 C SER A 322 14.800 5.903 4.518 1.00 25.00 C ATOM 434 O SER A 322 14.439 5.476 5.616 1.00 25.00 O ATOM 435 CB SER A 322 16.981 7.070 4.139 1.00 25.00 C ATOM 436 OG SER A 322 17.649 8.319 4.176 1.00 25.00 O ATOM 0 H SER A 322 15.436 7.356 6.511 1.00 25.00 H new ATOM 0 HA SER A 322 15.062 7.838 3.605 1.00 25.00 H new ATOM 0 HB2 SER A 322 17.416 6.395 4.876 1.00 25.00 H new ATOM 0 HB3 SER A 322 17.118 6.606 3.162 1.00 25.00 H new ATOM 0 HG SER A 322 18.603 8.185 3.995 1.00 25.00 H new